ALBERT

Description:    Nanomaterials have emerging importance in laser desorption ionization mass spectrometry (LDI–MS) with the ultimate objective being to overcome some of the most important limitations intrinsically related to the use of conventional organic matrices in matrix-assisted (MA) LDI–MS. This review provides a critical overview of the most recent literature on the use of gold nanomaterials as non-conventional desorption ionization promoters in LDI–MS, with particular emphasis on bioanalytical applications. Old seminal papers will also be discussed to provide a timeline of the most significant achievements in the field. Future prospects and research needs are also briefly discussed. Content Type Journal Article Pages 1-23 DOI 10.1007/s00216-011-5120-2 Authors Rosa Pilolli, Dipartimento di Chimica, Università degli Studi di Bari “Aldo Moro”, Via Orabona, 4, 70126 Bari, Italy Francesco Palmisano, Dipartimento di Chimica, Università degli Studi di Bari “Aldo Moro”, Via Orabona, 4, 70126 Bari, Italy Nicola Cioffi, Dipartimento di Chimica, Università degli Studi di Bari “Aldo Moro”, Via Orabona, 4, 70126 Bari, Italy Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    In this work, we have characterized a diamine oxidase (DAO) from Lathyrus sativus and evaluated its use, for the first time, as biocatalytic component of an electrochemical biosensor for the determination of biogenic amines index in wine and beer samples. Firstly, DAO was electrokinetically characterized free in solution by means of a platinum electrode and then immobilized by using polyazetidine prepolimer on the surface of screen-printed electrodes constituted of two gold working electrodes. The amperometric measurements were carried out by using a flow system at a fixed potential of +600 mV vs the internal silver pseudo reference in phosphate buffer solution (0.1 mol l -1 , pH = 7.4). The analysis of wine and beer samples were performed in flow injection system using the dual channel transducer providing simultaneous detection of sample and blank signal, and the resulting signal (after subtraction of the blank signal) was referred to that of putrescine. The results were compared with those obtained using a modified reference method based on gas chromatography-mass spectrometry analysis on the same samples. The results obtained in the analysis of Italian wines shows the better suitability of DAO-based biosensor in the determination of the biogenic amines (BAs) index expressed as putrescine equivalent in both red and white wines, being less efficient in beer samples where it underestimates by about 50% the BAs content. Content Type Journal Article Pages 1-10 DOI 10.1007/s00216-011-5131-z Authors Massimo Di Fusco, Department of Chemistry and Drugs Technologies, University of Rome “La Sapienza”, Piazzale A. Moro, 5, 00185 Rome, Italy Rodolfo Federico, Department of Biology, University ‘Roma Tre’, Viale Marconi, 446, 00146 Rome, Italy Alberto Boffi, Department of Biochemical Sciences, University of Rome “La Sapienza”, Piazzale A. Moro, 5, 00185 Rome, Italy Alberto Macone, Department of Biochemical Sciences, University of Rome “La Sapienza”, Piazzale A. Moro, 5, 00185 Rome, Italy Gabriele Favero, Department of Chemistry and Drugs Technologies, University of Rome “La Sapienza”, Piazzale A. Moro, 5, 00185 Rome, Italy Franco Mazzei, Department of Chemistry and Drugs Technologies, University of Rome “La Sapienza”, Piazzale A. Moro, 5, 00185 Rome, Italy Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description: ANAKON 2011 – German thoroughness meets Swiss precision Content Type Journal Article Pages 1-2 DOI 10.1007/s00216-011-5096-y Authors Oliver Bleher, Institute of Physical and Theoretical Chemistry, University of Tuebingen, Auf der Morgenstelle 18, 72076 Tuebingen, Germany Melanie Ewald, Institute of Physical and Theoretical Chemistry, University of Tuebingen, Auf der Morgenstelle 18, 72076 Tuebingen, Germany Felix Kolarov, Institute of Physical and Theoretical Chemistry, University of Tuebingen, Auf der Morgenstelle 18, 72076 Tuebingen, Germany A. Katrin Krieg, Institute of Physical and Theoretical Chemistry, University of Tuebingen, Auf der Morgenstelle 18, 72076 Tuebingen, Germany Alexander F. Le Blanc, Institute of Physical and Theoretical Chemistry, University of Tuebingen, Auf der Morgenstelle 18, 72076 Tuebingen, Germany Sabrina Rau, Institute of Physical and Theoretical Chemistry, University of Tuebingen, Auf der Morgenstelle 18, 72076 Tuebingen, Germany Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    This paper describes a novel method of sample preparation for the determination of trace concentrations of polycyclic aromatic hydrocarbons (PAHs) in high-boiling petroleum products. Limits of quantitation of the investigated PAHs in materials of this type range from tens of nanograms per kilogram to 〈20 μg/kg. The studies revealed that in order to separate most of interferences from the analytes without a significant loss of PAHs, it is necessary to use size exclusion chromatography as the first step of sample preparation, followed by adsorption using normal-phase liquid chromatography. The use of orthogonal separation procedure described in the paper allows the isolation of only a group of unsubstituted and substituted aromatic hydrocarbons with a specific range of molar mass. The lower the required limit of quantitation of PAHs, the larger is the scale of preparative liquid chromatography in both steps of sample preparation needed. The use of internal standard allows quantitative results to be corrected for the degree of recovery of PAHs during the sample preparation step. Final determination can be carried out using HPLC-FLD, GC-MS, or HPLC-UV–VIS/DAD. The last technique provides a degree of identification through the acquired UV–VIS spectra. Figure  Chromatograms obtained using UV-DAD detection with wavelength programming (A) and fluorimetric detection (B) for the separation of 18 PAH standards ((A) and (B)) and the fraction containing PAHs from road asphalt 50/70 prepared according to the procedure described in this work (C) . Peak designation: 1 naphthalene, 2 acenaphthylene, 3 acenaphthene, 4 fluorene, 5 phenanthrene, 6 anthracene, 7 fluoranthene, 8 pyrene, 9 benzo[a]anthracene, 10 chrysene, 11 benzo[b]fluoranthene, 12 benzo[k]fluoranthene, 13 benzo[a]pyrene, 14 dibenzo[a,h]anthracene, 15 indeno[1,2,3-cd]pyrene, 16 benzo[ghi]perylene, 17 benzo[j]fluoranthene, 18 benzo[e]pyrene,19 highly polar components of road asphalt 50/70 eluted during backflush. BF backflush point Content Type Journal Article Pages 1-11 DOI 10.1007/s00216-011-5134-9 Authors Ewelina Gilgenast, Chemical Faculty, Department of Chemical and Process Engineering, Gdansk University of Technology, Narutowicza St. 11/12, 80-233 Gdansk, Poland Grzegorz Boczkaj, Chemical Faculty, Department of Chemical and Process Engineering, Gdansk University of Technology, Narutowicza St. 11/12, 80-233 Gdansk, Poland Andrzej Przyjazny, Chemistry & Biochemistry Department, Kettering University, 1700 West Third Avenue, Flint, MI 48504, USA Marian Kamiński, Chemical Faculty, Department of Chemical and Process Engineering, Gdansk University of Technology, Narutowicza St. 11/12, 80-233 Gdansk, Poland Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Here, we describe a rapid and efficient screening method using surface plasmon resonance (SPR) and saturation transfer difference–nuclear magnetic resonance (STD-NMR) spectroscopy to yield information regarding the residues involved in nucleotide binding to amino acid-coated supports. The aim of this work was to explore the use of these spectroscopic techniques to study amino acid–nucleotide interactions in order to improve the binding specificity of the amino acid ligands used to purify plasmid DNA. For SPR, we present a strategy that immobilizes arginine and lysine on a surface as model supports, and we analyze binding responses when synthetic homo-deoxyoligonucleotides are injected over the amino acid surface. The binding responses are detectable and reproducible despite the small size of the immobilized amino acids. Using STD-NMR, we performed epitope mapping of homo-deoxyoligonucleotides bound to l -arginine–bisoxyran–Sepharose and l -lysine–Sepharose supports. Polynucleotide binding preferences differed; for example, polyC interacted preferentially through its backbone with the two supports, whereas polyT bound the supports through its thymine moiety. STD-NMR combined with SPR measurements was successfully used to screen amino acid–nucleotide interactions and determine the binding affinities of the complexes. Content Type Journal Article Pages 1-11 DOI 10.1007/s00216-011-5124-y Authors Carla Cruz, CICS-UBI–Centro de Investigação em Ciências da Saúde, University of Beira Interior, Av. Infante D. Henrique, 6200-506 Covilhã, Portugal Eurico J. Cabrita, REQUIMTE, CQFB, Departamento de Química, Faculdade de Ciências e Tecnologia, Universidade Nova Lisboa, 2829-516 Caparica, Portugal João A. Queiroz, CICS-UBI–Centro de Investigação em Ciências da Saúde, University of Beira Interior, Av. Infante D. Henrique, 6200-506 Covilhã, Portugal Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    In this work, an optimization study was conducted to investigate the performance of a custom-designed miniaturized dielectric barrier discharge (DBD) microplasma chip to be utilized as a radiation source for mercury determination in water samples. The experimental work was implemented by using experimental design, and the results were assessed by applying statistical techniques. The proposed DBD chip was designed and fabricated in a simple way by using a few microscope glass slides aligned together and held by a Perspex chip holder, which proved useful for miniaturization purposes. Argon gas at 75–180 mL/min was used in the experiments as a discharge gas, while AC power in the range 75–175 W at 38 kHz was supplied to the load from a custom-made power source. A UV-visible spectrometer was used, and the spectroscopic parameters were optimized thoroughly and applied in the later analysis. Plasma characteristics were determined theoretically by analysing the recorded spectroscopic data. The estimated electron temperature ( T e  = 0.849 eV) was found to be higher than the excitation temperature ( T exc  = 0.55 eV) and the rotational temperature ( T rot  = 0.064 eV), which indicates non-thermal plasma is generated in the proposed chip. Mercury cold vapour generation experiments were conducted according to experimental plan by examining four parameters (HCl and SnCl 2 concentrations, argon flow rate, and the applied power) and considering the recorded intensity for the mercury line (253.65 nm) as the objective function. Furthermore, an optimization technique and statistical approaches were applied to investigate the individual and interaction effects of the tested parameters on the system performance. The calculated analytical figures of merit (LOD = 2.8 μg/L and RSD = 3.5%) indicates a reasonable precision system to be adopted as a basis for a miniaturized portable device for mercury detection in water samples. Content Type Journal Article Pages 1-10 DOI 10.1007/s00216-011-5118-9 Authors Wameath S. Abdul-Majeed, Department of Chemical and Biological Engineering, The University of Sheffield, Newcastle Street, Sheffield, S1 3JD UK Jaime H. Lozano Parada, Department of Chemical and Biological Engineering, The University of Sheffield, Newcastle Street, Sheffield, S1 3JD UK William B. Zimmerman, Department of Chemical and Biological Engineering, The University of Sheffield, Newcastle Street, Sheffield, S1 3JD UK Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    The development of a simple and rapid high-performance liquid chromatography (HPLC) method for the determination of the new antiepileptic drug rufinamide (RFN) in human plasma and saliva is reported. Samples (250 μl) are alkalinized with ammonium hydroxide (pH 9.25) and extracted with dichloromethane using metoclopramide as internal standard. Separation is achieved with a Spherisorb silica column (250 × 4.6 mm i.d., 5 μm) at 30 °C using as mobile phase a solution of methanol/dichloromethane/n-hexane 10/25/65 (vol/vol/vol) mixed with 6 ml ammonium hydroxide. The instrument used was a Shimadzu LC-10Av chromatograph and flow rate was 1.5 ml min -1 , with a LaChrom L-7400 UV detector set at 230 nm. Calibration curves are linear [ r 2  = 0.998 ± 0.002 for plasma ( n  = 10) and r 2  = 0.999 ± 0.001 for saliva ( n  = 9)] over the range of 0.25–20.0 μg ml -1 , with a limit of quantification at 0.25 μg ml -1 . Precision and accuracy are within current acceptability standards. The assay is suitable for pharmacokinetic studies in humans and for therapeutic drug monitoring. Content Type Journal Article Pages 1-9 DOI 10.1007/s00216-011-5126-9 Authors Iolanda Mazzucchelli, Clinical Pharmacology Unit, Department of Internal Medicine and Therapeutics, University of Pavia, Via Ferrata 9, 27100 Pavia, Italy Manuela Rapetti, Clinical Pharmacology Unit, Department of Internal Medicine and Therapeutics, University of Pavia, Via Ferrata 9, 27100 Pavia, Italy Cinzia Fattore, Clinical Trial Center, IRCCS National Neurological Institute C. Mondino Foundation, 27100 Pavia, Italy Valentina Franco, Clinical Pharmacology Unit, Department of Internal Medicine and Therapeutics, University of Pavia, Via Ferrata 9, 27100 Pavia, Italy Giuliana Gatti, Clinical Pharmacology Unit, Department of Internal Medicine and Therapeutics, University of Pavia, Via Ferrata 9, 27100 Pavia, Italy Emilio Perucca, Clinical Pharmacology Unit, Department of Internal Medicine and Therapeutics, University of Pavia, Via Ferrata 9, 27100 Pavia, Italy Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Although a DNA-immobilized packed-column (DNA-packed column), which relies on sequence-dependent interactions of target DNA or mRNA (in the mobile phase) with DNA probes (on the silica particle) in a continuous flow process, could be considered as an alternative platform for quantitative analysis of specific DNA to DNA chip methodology, the performance in practice has not been satisfactory. In this study, we set up a more efficient quantitative analysis system based on a DNA-packed column by employing a temperature-gradient strategy and DMSO-containing mobile phase. Using a temperature-gradient strategy based on T m values of probe/target DNA hybridizations and DMSO (5%)-containing mobile phase, we succeeded in the quantitative analysis of a specific complementary target distinguishable from non-complementary DNA oligomers or other similar DNA samples. In addition, two different target DNA oligomers even with similar T m values were separated and detected quantitatively by using a packed column carrying two different DNA probes. Content Type Journal Article Pages 1-10 DOI 10.1007/s00216-011-5129-6 Authors Seung Pil Pack, Department of Biotechnology and Bioinformatics, Korea University, Jochiwon, Chungnam 339-700, South Korea Tae-Hwe Heo, College of Pharmacy, The Catholic University of Korea, Bucheon, 420-743 South Korea Kamakshaiah Charyulu Devarayapalli, Institute of Advanced Energy, Kyoto University, Uji, Kyoto 611-0011, Japan Keisuke Makino, Institute of Advanced Energy, Kyoto University, Uji, Kyoto 611-0011, Japan Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Breath analysis could offer a non-invasive means of intravenous drug monitoring if robust correlations between drug concentrations in breath and blood can be established. In this study, propofol blood and breath concentrations were determined in an animal model under varying physiological conditions. Propofol concentrations in breath were determined by means of two independently calibrated analytical methods: continuous, real-time proton transfer reaction mass spectrometry (PTR-MS) and discontinuous solid-phase micro-extraction coupled with gas chromatography mass spectrometry (SPME-GC-MS). Blood concentrations were determined by means of SPME-GC-MS. Effects of changes in pulmonary blood flow resulting in a decreased cardiac output (CO) and effects of dobutamine administration resulting in an increased CO on propofol breath concentrations and on the correlation between propofol blood and breath concentrations were investigated in seven acutely instrumented pigs. Discontinuous propofol determination in breath by means of alveolar sampling and SPME-GC-MS showed good agreement ( R 2  = 0.959) with continuous alveolar real-time measurement by means of PTR-MS. In all investigated animals, increasing cardiac output led to a deterioration of the relationship between breath and blood propofol concentrations ( R 2  = 0.783 for gas chromatography-mass spectrometry and R 2  = 0.795 for PTR-MS). Decreasing pulmonary blood flow and cardiac output through banding of the pulmonary artery did not significantly affect the relationship between propofol breath and blood concentrations ( R 2  〉 0.90). Estimation of propofol blood concentrations from exhaled alveolar concentrations seems possible by means of different analytical methods even when cardiac output is decreased. Increases in cardiac output preclude prediction of blood propofol concentration from exhaled concentrations. Figure  Experimental setup for simultaneous real-time (PTR-MS) and discontinuous (SPME-GC-MS) drug determination in the breath of acutely instrumented pigs ( A ). In order to assess the influence of hemodynamic variables pulmonary artery blood flow was determined by means of Doppler-measurement ( B ). Content Type Journal Article Pages 1-10 DOI 10.1007/s00216-011-5099-8 Authors Svend Kamysek, Department of Anesthesiology and Intensive Care, University of Rostock, Schillingallee 35, 18057 Rostock, Germany Patricia Fuchs, Department of Anesthesiology and Intensive Care, University of Rostock, Schillingallee 35, 18057 Rostock, Germany Henny Schwoebel, Department of Anesthesiology and Intensive Care, University of Rostock, Schillingallee 35, 18057 Rostock, Germany Jan P. Roesner, Department of Anesthesiology and Intensive Care, University of Rostock, Schillingallee 35, 18057 Rostock, Germany Sabine Kischkel, Department of Anesthesiology and Intensive Care, University of Rostock, Schillingallee 35, 18057 Rostock, Germany Kathi Wolter, Department of Anesthesiology and Intensive Care, University of Rostock, Schillingallee 35, 18057 Rostock, Germany Christian Loeseken, Department of Anesthesiology and Intensive Care, University of Rostock, Schillingallee 35, 18057 Rostock, Germany Jochen K. Schubert, Department of Anesthesiology and Intensive Care, University of Rostock, Schillingallee 35, 18057 Rostock, Germany Wolfram Miekisch, Department of Anesthesiology and Intensive Care, University of Rostock, Schillingallee 35, 18057 Rostock, Germany Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Predicting the amount of time that a petroleum mixture has been exposed to weathering effects has applications in areas of environmental and other forensic investigations, such as aiding in determining the cause and intent of a fire. Historically, research on the evaporation rates of hydrocarbon mixtures has focused on forensic oil spill identification and predicting if a fresh sample could be weathered to give an observed composition in an aged sample. Relatively little attention has focused on approaching the problem from the other direction: estimating exposure time based on the observed composition of a weathered sample at a given time and assuming a prior composition. Here, we build upon our previous research into the weathering of model mixtures by extending our work to gasoline. Samples of gasoline with varying octane ratings and from several vendors were weathered under controlled conditions and their composition monitored over time by two-dimensional gas chromatography (GC × GC). A variety of chemometric models were explored, including partial least squares (PLS), nonlinear PLS (PolyPLS) and locally weighted regression (LWR). A hierarchical application of multivariate techniques was able to predict the time for which a sample had been exposed to evaporative weathering. Partial least squares discriminant analysis could predict whether a sample was relatively fresh (〈12 h exposure time) or highly weathered (〉20 h exposure time). Subsequent regression models for these classes were evaluated for accuracy using the root mean square error of prediction. LWR was the most successful, whereby fresh and highly weathered samples were predicted to within 30 min and 5 h of exposure, respectively. Content Type Journal Article Pages 1-9 DOI 10.1007/s00216-011-5130-0 Authors Brianne M. Zorzetti, Department of Chemistry, University of Alberta, Edmonton, AB T6G 2 G2, Canada James J. Harynuk, Department of Chemistry, University of Alberta, Edmonton, AB T6G 2 G2, Canada Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Vibrational spectroscopy techniques can be applied to identify a susceptibility-to-adenocarcinoma biochemical signature. A sevenfold difference in incidence of prostate adenocarcinoma (CaP) remains apparent amongst populations of low- (e.g. India) compared with high-risk (e.g. UK) regions, with migrant studies implicating environmental and/or lifestyle/dietary causative factors. This study set out to determine the biospectroscopy-derived spectral differences between risk-associated cohorts to CaP. Benign prostate tissues were obtained using transurethral resection from high-risk ( n  = 11, UK) and low-risk ( n  = 14, India) cohorts. Samples were analysed using attenuated total reflection Fourier-transform infrared (FTIR) spectroscopy, FTIR microspectroscopy and Raman microspectroscopy. Spectra were subsequently processed within the biochemical cell region (1,800 −1 –500 cm –1 ) employing principal component analysis (PCA) and linear discriminant analysis (LDA) to determine whether wavenumber–absorbance/intensity relationships might reveal biochemical differences associated with region-specific susceptibility to CaP. PCA-LDA scores and corresponding cluster vector plots identified pivotal segregating biomarkers as 1,582 cm −1 (Amide I/II trough); 1,551 cm −1 (Amide II); 1,667 cm −1 (Amide I); 1,080 cm −1 (DNA/RNA); 1,541 cm −1 (Amide II); 1,468 cm −1 (protein); 1,232 cm −1 (DNA); 1,003 cm −1 (phenylalanine); 1,632 cm −1 [right-hand side (RHS) Amide I] for glandular epithelium ( P  〈 0.0001) and 1,663 cm −1 (Amide I); 1,624 cm −1 (RHS Amide I); 1,126 cm −1 (RNA); 1,761, 1,782, 1,497 cm −1 (RHS Amide II); 1,003 cm −1 (phenylalanine); and 1,624 cm −1 (RHS Amide I) for adjacent stroma ( P  〈 0.0001). Primarily protein secondary structure variations were biomolecular markers responsible for cohort segregation with DNA alterations exclusively located in the glandular epithelial layers. These biochemical differences may lend vital insights into the aetiology of CaP. Figure  The first study to apply biospectroscopy techniques to identify the underlying differences in the aetiology of prostate cancer between low- (India) compared to high-risk (UK) cohorts Content Type Journal Article Pages 1-14 DOI 10.1007/s00216-011-5123-z Authors Imran I. Patel, Centre for Biophotonics, Lancaster Environment Centre, Lancaster University, Bailrigg, Lancaster, LA1 4YQ UK Júlio Trevisan, Centre for Biophotonics, Lancaster Environment Centre, Lancaster University, Bailrigg, Lancaster, LA1 4YQ UK Paras B. Singh, Centre for Biophotonics, Lancaster Environment Centre, Lancaster University, Bailrigg, Lancaster, LA1 4YQ UK Caroline M. Nicholson, Lancashire Teaching Hospitals NHS Trust, Fulwood, Preston, PR2 9HT UK R. K. Gopala Krishnan, Workhardt Hospital, Kolkata, 700020 India Shyam S. Matanhelia, Lancashire Teaching Hospitals NHS Trust, Fulwood, Preston, PR2 9HT UK Francis L. Martin, Centre for Biophotonics, Lancaster Environment Centre, Lancaster University, Bailrigg, Lancaster, LA1 4YQ UK Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Glycosylation is one of the most common yet diverse post-translational modifications. Information on glycan heterogeneity and glycosite occupancy is increasingly recognized as crucial to understanding glycoprotein structure and function. Yet, no approach currently exists with which to holistically consider both the proteomic and glycomic aspects of a system. Here, we developed a novel method of comprehensive glycosite profiling using nanoflow liquid chromatography/mass spectrometry (nano-LC/MS) that shows glycan isomer-specific differentiation on specific sites. Glycoproteins were digested by controlled non-specific proteolysis in order to produce informative glycopeptides. High-resolution, isomer-sensitive chromatographic separation of the glycopeptides was achieved using microfluidic chip-based capillaries packed with graphitized carbon. Integrated LC/MS/MS not only confirmed glycopeptide composition but also differentiated glycan and peptide isomers and yielded structural information on both the glycan and peptide moieties. Our analysis identified at least 13 distinct glycans (including isomers) corresponding to five compositions at the single N -glycosylation site on bovine ribonuclease B, 59 distinct glycans at five N -glycosylation sites on bovine lactoferrin, 13 distinct glycans at one N -glycosylation site on four subclasses of human immunoglobulin G, and 20 distinct glycans at five O -glycosylation sites on bovine κ-casein. Porous graphitized carbon provided effective separation of glycopeptide isomers. The integration of nano-LC with MS and MS/MS of non-specifically cleaved glycopeptides allows quantitative, isomer-sensitive, and site-specific glycoprotein analysis. Figure  Overlaid chromatograms and associated structural assignments of glycopeptides from bovine κ-casein. Color denotes the site(s) of glycosylation from which the glycopeptide originated Content Type Journal Article Pages 1-12 DOI 10.1007/s00216-011-5109-x Authors Serenus Hua, Department of Chemistry, University of California, Davis, CA 95616, USA Charles C. Nwosu, Department of Chemistry, University of California, Davis, CA 95616, USA John S. Strum, Department of Chemistry, University of California, Davis, CA 95616, USA Richard R. Seipert, Department of Chemistry, University of California, Davis, CA 95616, USA Hyun Joo An, Graduate School of Analytical Science and Technology, Chungnam National University, Daejeon, 305-764 South Korea Angela M. Zivkovic, Department of Food Science and Technology, University of California, Davis, CA 95616, USA J. Bruce German, Department of Food Science and Technology, University of California, Davis, CA 95616, USA Carlito B. Lebrilla, Department of Chemistry, University of California, Davis, CA 95616, USA Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    The American visceral leishmaniasis is an important cause of morbidity and mortality in Brazil for both humans and dogs. Attempts to make a diagnosis of this disease need to be improved, especially in endemic areas, and in the tracking and screening of asymptomatic dogs, which are their main host in urban areas. A quartz crystal microbalance immunosensor for the diagnosis of the canine visceral leishmaniasis using a recombinant antigen of Leishmania chagasi (rLci2B-NH6) was developed. The rLci2B-NH6 was tightly immobilized on a quartz crystal gold electrode by self-assembled monolayer based on short-chain length thiol. The strategy was the use of the antigen-histidine tail covalently linked to glutaraldehyde performing a Schift base which permits a major exposure of epitopes and a reduced steric hindrance. The immunosensor showed good results regarding sensitivity and reproducibility, being able to distinguish positive and negative canine serum for L. chagasi. Furthermore, the immunosensor can be reused through exposure to sodium dodecyl sulfate solution, which promotes the dissociation of antigen–antibody binding, restoring the sensor surface with immobilized biologically active antigens for further analysis. Content Type Journal Article Pages 1-9 DOI 10.1007/s00216-011-5136-7 Authors Joilson Ramos-Jesus, Laboratório de Engenharia Biomédica, Universidade Federal de Pernambuco, Av. Prof. Moraes Rego, 1235-Cidade Universitária, Recife, Pernambuco 50670-901, Brazil Kellyanne A. Carvalho, Departamento de Biointeração, Universidade Federal da Bahia, Salvador, Bahia 40110-060, Brazil Rosana A. S. Fonseca, Laboratório de Engenharia Biomédica, Universidade Federal de Pernambuco, Av. Prof. Moraes Rego, 1235-Cidade Universitária, Recife, Pernambuco 50670-901, Brazil Geraldo G. S. Oliveira, Centro de Pesquisa Gonçalo Muniz, Fundação Oswaldo Cruz, Bahia 40296-710, Brazil Stella M. Barrouin Melo, Departamento de Patologia e Clínicas, Universidade Federal da Bahia, Salvador, Bahia 40110-060, Brazil Neuza M. Alcântara-Neves, Departamento de Biointeração, Universidade Federal da Bahia, Salvador, Bahia 40110-060, Brazil Rosa F. Dutra, Laboratório de Engenharia Biomédica, Universidade Federal de Pernambuco, Av. Prof. Moraes Rego, 1235-Cidade Universitária, Recife, Pernambuco 50670-901, Brazil Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Residues from medicine containers in the collections of the British Museum have been investigated as part of a wider programme of scientific work on Roman surgical instruments. The cylindrical bronze containers are often described as instrument cases, but some contain materia medica , ranging from extensive extant remains of ancient preparations to possible minor deposits on the interior surfaces of the containers. Samples from seven residues have been analysed by gas chromatography–mass spectrometry (GC-MS) to identify lipid, resin and carbohydrate components and by X-ray fluorescence and Raman spectroscopy to characterise inorganic materials. The results have provided evidence for ointments and powders or pills consistent with a medical purpose. The ingredients identified include beeswax, fat, conifer resin and gum-derived sugars, plus elemental carbon and lead and zinc salts. Particularly significant were the varied compositions of residues from four sections of a multi-compartment container. In one of these compartments, the beeswax seems to have been prepared as the ‘Punic wax’ described by Pliny. Experimental preparation of Punic wax following Pliny’s method was undertaken in the laboratory and the product analysed to compare with the ointment residues. This paper discusses the GC-MS results of both the experimental material and the archaeological residues and their significance for the interpretation of the past intended applications of the medicines and the use of the containers. Content Type Journal Article Pages 1-11 DOI 10.1007/s00216-011-5160-7 Authors R. J. Stacey, Department of Conservation and Scientific Research, The British Museum, Great Russell Street, London, WC1B 3DG UK Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Sensitive and robust bioassays for glucocorticoids are very useful for the pharmaceutical industry, environmental scientists and veterinary control. Here, a recombinant yeast cell was constructed that expresses the human glucocorticoid receptor alpha and a green fluorescent reporter protein in response to glucocorticoids. Both the receptor construct and the reporter construct were stably integrated into the yeast genome. The correct and specific functioning of this yeast glucocorticoid bioassay was studied by exposures to cortisol and other related compounds and critically compared to a GR-CALUX bioassay based on a human bone cell. Although less sensitive, the new yeast glucocorticoid bioassay showed sensitivity towards all (gluco)corticoids tested, with the following order in relative potencies: budesonide 〉〉 corticosterone 〉 dexamethasone 〉 cortisol = betamethasone 〉 prednisolone 〉 aldosterone. Hormone representatives for other hormone nuclear receptors, like 17β-estradiol for the oestrogen receptor, 5α-dihydrotestosterone for the androgen receptor and progesterone for the progesterone receptor, showed no clear agonistic responses, whilst some polychlorinated biphenyls were clearly able to interfere with the GR activity. Content Type Journal Article Pages 1-10 DOI 10.1007/s00216-011-5162-5 Authors Toine F. H. Bovee, RIKILT-Institute of Food Safety, Wageningen University and Research Centre, Akkermaalsbos 2, 6708 WB Wageningen, the Netherlands Richard J. R. Helsdingen, RIKILT-Institute of Food Safety, Wageningen University and Research Centre, Akkermaalsbos 2, 6708 WB Wageningen, the Netherlands Astrid R. M. Hamers, RIKILT-Institute of Food Safety, Wageningen University and Research Centre, Akkermaalsbos 2, 6708 WB Wageningen, the Netherlands Bram A. Brouwer, BioDetection Systems B.V. (BDS), Kruislaan 406, 1098 SM Amsterdam, the Netherlands Michel W. F. Nielen, RIKILT-Institute of Food Safety, Wageningen University and Research Centre, Akkermaalsbos 2, 6708 WB Wageningen, the Netherlands Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Criteria and indicators assessment is one of the ways to evaluate management strategies for mountain watersheds. One framework for this, Integrated Watershed Management (IWM), was employed at Chittagong Hill Tracts region of Bangladesh using a multi-criteria analysis approach. The IWM framework, consisting of the design and application of principles, criteria, indicators, and verifiers (PCIV), facilitates active participation by diverse professionals, experts, and interest groups in watershed management, to explicitly address the demands and problems to measure the complexity of problems in a transparent and understandable way. Management alternatives are developed to fulfill every key component of IWM considering the developed PCIV set and current situation of the study area. Different management strategies, each focusing on a different approach (biodiversity conservation, flood control, soil and water quality conservation, indigenous knowledge conservation, income generation, watershed conservation, and landscape conservation) were assessed qualitatively on their potential to improve the current situation according to each verifier of the criteria and indicator set. Analytic Hierarchy Process (AHP), including sensitivity analysis, was employed to identify an appropriate management strategy according to overall priorities (i.e., different weights of each principle) of key informants. The AHP process indicated that a strategy focused on conservation of biodiversity provided the best option to address watershed-related challenges in the Chittagong Hill Tracts, Bangladesh. Content Type Journal Article Pages 1-21 DOI 10.1007/s10661-011-2148-x Authors Shampa Biswas, School of Environmental Sciences and Management, Independent University, Bangladesh Plot-16, Block - B, Aftabuddin Ahmed Road, Bashundhara R/A., 1229 Dhaka, Bangladesh Harald Vacik, Department of Forest and Soil Sciences, Institute of Silviculture, University of Natural Resources and Life Sciences, Peter Jordanstr. 82, 1190 Vienna, Austria Mark E. Swanson, Department of Natural Resource Sciences, College of Agricultural, Human and Natural Resource Sciences, Washington State University, Johnson Hall, P.O. Box 646410, Pullman, WA 99164-6410, USA S. M. Sirajul Haque, Institute of Forestry and Environmental Sciences, University of Chittagong, 4331 Chittagong, Bangladesh Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    Lead (Pb) is a toxic heavy metal that is widely distributed throughout the environment. Pb is an important neurotoxic metal and children are more susceptible to its effect due to their higher absorption rate and greater susceptibility of the developing nervous system. In this work, we evaluated the lead exposure levels in children living near a metallurgical plant and identified risk factors associated with its internal dose. All children, aged 1–10 years and 11 months, living near a metallurgical plant in the great Salvador area, Brazil were evaluated in this cross-sectional study and compared with children from a non exposed area. Occipital hair and blood were used to assess exposure. Air lead levels in the respirable fraction (PM 2.5 ) were also measured in both areas. Blood lead levels (BLL), hair lead levels (PbH) and air lead were determined by graphite furnace atomic absorption spectrometry. Spearman correlations analysis was used to evaluate correlations between BLL, PbH and descriptors. Significant risk factors were modeled using multivariate linear regression analysis. Air lead levels were approximately ten-folds lower than EPA reference concentration (0.15 μg/m 3 ). Median BLL and PbH were1.65 ± 1.45 μg/dL and 1.26 ± 3.70 μg/g, respectively, in exposed children. In the referents, medians were BLL 1.20 ± 1.20 μg/dL; PbH 2.09 ± 2.06 μg/g. No significant difference was observed in biomarkers levels between boys and girls. It was observed a positive weak correlation (Spearman rho = 0.197, p  = 0.033) between BLL and PbH. Our data show that children’s lead body burden measured as BLL or PbH are low when compared with the recommended reference values. Despite that, we were able to identify four risk factors associated with increased biological lead levels: age, living near industrial site, environmental tobacco smoking and, above all, domestic waste burning. In order to prevent such avoidable exposure, environmental education and proper waste management should be implemented, especially in developing countries. Content Type Journal Article Pages 1-11 DOI 10.1007/s10661-011-2137-0 Authors José Antonio Menezes-Filho, Laboratory of Toxicology, College of Pharmacy, Federal University of Bahia, Salvador, Brazil Gustavo Freitas de Sousa Viana, Laboratory of Toxicology, College of Pharmacy, Federal University of Bahia, Salvador, Brazil Ciro Rodrigues Paes, Laboratory of Toxicology, College of Pharmacy, Federal University of Bahia, Salvador, Brazil Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    An experiment was conducted under laboratory conditions to investigate the effect of two systemic herbicides viz., pendimethalin and quizalofop, at their recommended field rates (1.0 kg and 50 g active ingredient ha  − 1 , respectively) on the growth and activities of non-symbiotic N 2 -fixing bacteria in relation to mineralization and availability of nitrogen in a Typic Haplustept soil. Both the herbicides, either singly or in a combination, stimulated the growth and activities of N 2 -fixing bacteria resulting in higher mineralization and availability of nitrogen in soil. The single application of quizalofop increased the proliferation of aerobic non-symbiotic N 2 -fixing bacteria to the highest extent while that of pendimethalin exerted maximum stimulation to their N 2 -fixing capacity in soil. Both the herbicides, either alone or in a combination, did not have any significant difference in the stimulation of total nitrogen content and availability of exchangeable NH 4  +  while the solubility of NO 3  −  was highly manifested when the herbicides were applied separately in soil. Content Type Journal Article Pages 1-5 DOI 10.1007/s10661-011-2093-8 Authors Amal C. Das, Department of Agricultural Chemistry and Soil Science, Bidhan Chandra Krishi Viswavidyalaya, Mohanpur, 741 252 West Bengal, India Hemanta Nayek, Department of Agricultural Chemistry and Soil Science, Bidhan Chandra Krishi Viswavidyalaya, Mohanpur, 741 252 West Bengal, India S. Devi Nongthombam, Department of Agricultural Chemistry and Soil Science, Bidhan Chandra Krishi Viswavidyalaya, Mohanpur, 741 252 West Bengal, India Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    An area of 0.6 km 2 in the manganese nodule field of the Central Indian Basin was physically disturbed and sediments discharged in the near bottom waters to simulate seabed mining and study its impact on benthic ecosystem. An estimated 2 to 3 tonnes of sedimentary organic carbon (C org ) was resuspended into the water column during a 9-day experiment. The majority of the sediment cores from within the disturbed area and areas towards the south showed a ~30% increase in C org content as well as an increase in carbon burial rates after disturbance, though with a reduction in carbon/phosphorus ratios. High specific surface area (SSA~25 m 2  g  − 1 ) and low C org /SSA ratios (mostly 〈0.5) are typical of deep-sea sediments. The increased C org values were probably due to the organic matter from dead biota and the migration and redeposition of fine-grained, organic-rich particles. Spatial distribution patterns of C org contents of cores taken before and after disturbance were used to infer the direction of plume migration and re-sedimentation. A positive relationship was observed between total and labile C org and macrobenthos density and total bacterial numbers prior to disturbance, whereas a negative relationship was seen after disturbance owing to drastic reduction in the density of macrofauna and bacteria. Overall decrease in labile organic matter, benthic biota and redistribution of organic matter suggest that the commercial mining of manganese nodules may have a significant immediate negative effect on the benthic ecosystem inducing changes in benthic community structure. Content Type Journal Article Pages 1-16 DOI 10.1007/s10661-011-2154-z Authors B. Nagender Nath, National Institute of Oceanography, Council of Scientific & Industrial Research, Dona Paula, Goa 403 004, India N. H. Khadge, National Institute of Oceanography, Council of Scientific & Industrial Research, Dona Paula, Goa 403 004, India Sapana Nabar, National Institute of Oceanography, Council of Scientific & Industrial Research, Dona Paula, Goa 403 004, India Chandralata RaghuKumar, National Institute of Oceanography, Council of Scientific & Industrial Research, Dona Paula, Goa 403 004, India B. S. Ingole, National Institute of Oceanography, Council of Scientific & Industrial Research, Dona Paula, Goa 403 004, India A. B. Valsangkar, National Institute of Oceanography, Council of Scientific & Industrial Research, Dona Paula, Goa 403 004, India Rahul Sharma, National Institute of Oceanography, Council of Scientific & Industrial Research, Dona Paula, Goa 403 004, India K. Srinivas, Department of Marine Sciences, Goa University, Taleigao Plateau, Goa 403 206, India Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    The aim of the research involved identification and semi-quantitative determination of unknown volatile and semi-volatile organic compounds emitted to air by sewage sludge formed in the process of municipal wastewater treatment in a sewage treatment plant. Samples taken directly after completion of the technological process as well as the sludge stored on the premise of the sewage treatment plant were analyzed. A simple method using off-line headspace solid-phase microextraction combined with gas chromatography–mass spectrometry has been proposed for extraction and detection of organic pollutants. For reliable identification of compounds, combination of two independent parameters: mass spectra and linear temperature programmed retention indices were employed. Over 170 compounds of different structure were identified including aliphatic and aromatic hydrocarbons, alcohols, esters, carbonyls, as well as sulfur, nitrogen, and chlorine containing compounds. The prevailing substances included: ethyl ether, n -hexane, p -xylene, o -xylene, mesitylene, m -ethylbenzene, limonene, n -decane, n -undecane, and n -dodecane. A few compounds such as methanetiol, dimethyl polisulfide, octaatomic sulfur, phthalic anhydride, and indoles were identified in the sludge for the first time. Content Type Journal Article Pages 1-15 DOI 10.1007/s10661-011-2158-8 Authors Urszula Kotowska, Institute of Chemistry, University of Bialystok, ul. Hurtowa 1, 15-399 Bialystok, Poland Maciej Żalikowski, Institute of Chemistry, University of Bialystok, ul. Hurtowa 1, 15-399 Bialystok, Poland Valery A. Isidorov, Institute of Chemistry, University of Bialystok, ul. Hurtowa 1, 15-399 Bialystok, Poland Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    This paper reports the utilization of 4-(2-pyridylazo) resorcinol (PAR) as a chelating reagent for in-column derivatization and the determination of trace Co, Fe, and Ni ions by reversed-phase high-performance liquid chromatography with photodiode array detector. A good separation of Co, Fe, and Ni chelates were achieved by using an Inertsil ODS-3 column and a mobile phase, consisted of methanol–THF–water mixture (50:5:45) containing ammonium acetate buffer (pH 5.0) and PAR. After full optimization, good repeatability of retention times (relative standard deviation (RSD) 〈 0.05%) and peak areas (RSD 〈 1.7%) was achieved as well as a good linearity ( r 2  〉 0.9991). The detection limits ( S / N  = 3), expressed as micrograms per liter, were 0.50 (Co), 9.07 (Fe), and 2.00 (Ni). The applicability and the accuracy of the developed method were estimated by the analysis of spiked water samples and certified reference material BCR 715 wastewater-SRM. Content Type Journal Article Pages 1-11 DOI 10.1007/s10661-011-2201-9 Authors Aysen Hol, Department of Chemistry, Faculty of Science and Art, Pamukkale University, 20017 Denizli, Turkey Umit Divrikli, Department of Chemistry, Faculty of Science and Art, Pamukkale University, 20017 Denizli, Turkey Latif Elci, Department of Chemistry, Faculty of Science and Art, Pamukkale University, 20017 Denizli, Turkey Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    In soil magnetometry, two types of measurements are usually performed. The first type is measurements performed on the soil surface, frequently using an MS2D sensor. The second type includes measurements of magnetic susceptibility carried out in the soil profile, usually to a depth of about 30 cm. Up to now, such measurement results were analyzed separately. However, it is possible and advantageous to integrate these two types of measurements. The goal of the study was to integrate measurements of magnetic susceptibility performed on the soil surface and in the soil profile. More specifically, the goal was to obtain 3-dimensional spatial distributions of magnetic susceptibility of the topsoil horizon. Results show that it is possible to effectively integrate measurements of magnetic susceptibility performed on the soil surface and in the soil profile. Moreover, the 3-dimensional spatial distribution that is obtained shows the magnetic susceptibility of the top 20 cm of soil, which includes the soil horizons where most of the heavy metals are accumulated. The analysis of such a spatial distribution can be very helpful in delineating areas where the heightened magnetic susceptibility is a result of the influence of anthropogenic pollution from those areas where it results from lithogenic origin. It is possible to investigate where the volumes of soil with heightened magnetic susceptibility are located in the soil profile and in this way investigate which characteristic type of soil profile it is. Content Type Journal Article Pages 1-12 DOI 10.1007/s10661-011-2187-3 Authors Jarosław Zawadzki, Environmental Engineering Systems Institute, Warsaw University of Technology, Nowowiejska 20, 00-661 Warsaw, Poland Tadeusz Magiera, Institute of Environmental Engineering, Polish Academy of Sciences, Sklodowskiej-Curie 34, 41-819 Zabrze, Poland Piotr Fabijańczyk, Environmental Engineering Systems Institute, Warsaw University of Technology, Nowowiejska 20, 00-661 Warsaw, Poland Grzegorz Kusza, Department of Land Protection, Opole University, Oleska 22, 45-052 Opole, Poland Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    The objective of this study is to assess the risk of insufficient water supply posed by high-turbidity water. Several phenomena can pose risks to the sufficiency of a water supply; this study concerns risks to water treatment plants from particular properties of rainfall and raw water turbidity. High-turbidity water can impede water treatment plant operations; rainfall properties can influence the degree of soil erosion. Thus, water turbidity relates to rainfall characteristics. Exceedance probabilities are presented for different rainfall intensities and turbidities of water. When the turbidity of raw water is higher than 5,000 NTU, it can cause operational problems for a water treatment plant. Calculations show that the turbidity of raw water at the Ban-Sin water treatment plant will be higher than 5,000 NTU if the rainfall intensity is larger than 165 mm/day. The exceedance probability of high turbidity (turbidity 〉5,000 NTU) in the Ban-Sin water treatment plant is larger than 10%. When any water treatment plant cannot work regularly, its ability to supply water to its customers is at risk. Content Type Journal Article Pages 1-6 DOI 10.1007/s10661-011-2176-6 Authors Chia-Ling Chang, Department of Water Resources Engineering and Conservation, Feng Chia University, No.100, Wenhwa Rd., Seatwen, Taichung, Taiwan, Republic of China Chung-Sheng Liao, Department of Water Resources Engineering and Conservation, Feng Chia University, No.100, Wenhwa Rd., Seatwen, Taichung, Taiwan, Republic of China Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    In this study, a survey for the spatial distribution of heavy metals in Chaohu Lake of China was conducted. Sixty-two surface water samples were collected from entire lake including three of its main river entrances. This is the first systematic report concerning the content, distribution, and origin of heavy metals (Cu, Cr, Cd, Hg, Zn, and Ni) in the Chaohu Lake water. The results showed that heavy metals (Cu, Cr, Zn, and Ni) concentrations in the estuary of Nanfei River were relatively higher than those in the other areas, while content of Hg is higher in the southeast lake than northwest lake. Moreover, Cd has locally concentration in the surface water from the entire Chaohu Lake. The heavy metal average concentrations, except Hg, were lower than the cutoff values for the first-grade water quality (China Environment Quality Standard) which was set as the highest standard to protect the social nature reserves. The Hg content is between the grades three and four water quality, and other heavy metals contents are higher than background values. The aquatic environment of Chaohu Lake has apparently been contaminated. Both the cluster analysis (CA) and correlation analysis provide information about the origin of heavy metals in the Lake. Our findings indicated that agricultural activities and adjacent plants chimneys may contribute the most to Cd and Hg contamination of Chaohu Lake, respectively. Content Type Journal Article Pages 1-11 DOI 10.1007/s10661-011-2149-9 Authors Guolian Li, CAS Key Laboratory of Crust-Mantle Materials and Environment, School of Earth and Space Sciences, University of Science and Technology of China, Hefei, Anhui 230026, China Guijian Liu, CAS Key Laboratory of Crust-Mantle Materials and Environment, School of Earth and Space Sciences, University of Science and Technology of China, Hefei, Anhui 230026, China Chuncai Zhou, CAS Key Laboratory of Crust-Mantle Materials and Environment, School of Earth and Space Sciences, University of Science and Technology of China, Hefei, Anhui 230026, China Chen-Lin Chou, Illinois State Geological Survey (emeritus), University of Illinois, Champaign, IL 61820, USA Liugen Zheng, CAS Key Laboratory of Crust-Mantle Materials and Environment, School of Earth and Space Sciences, University of Science and Technology of China, Hefei, Anhui 230026, China Jizhong Wang, CAS Key Laboratory of Crust-Mantle Materials and Environment, School of Earth and Space Sciences, University of Science and Technology of China, Hefei, Anhui 230026, China Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    The paper presents water-quality evaluation based on an 8-year monitoring programme in the Gdansk Municipality region, on the Southern coast of the Baltic Sea. The studies were carried out from 2000 to 2007 by surface water analysis at 15 various sites within eight watercourses. Sampling sites included rather urbanized or developed lands, farming fields and non-polluted city recreational areas such as parks and forests. Most of the watercourses were sampled monthly at two locations, one within the upper course of the watercourse and the other near its mouth. In all samples, eight parameters of water quality were determined: total suspended solids, dissolved oxygen, water temperature, oxygen saturation, 5-day biochemical oxygen demand, chemical oxygen demand, total phosphorus and total nitrogen concentration. Interpretation of the obtained results revealed that examination of those basic physicochemical parameters permits to discriminate initially watercourses with respect to level of water contamination. During the research, a large dataset was obtained and it was described by both basic statistical parameters and chemometric method of cluster analysis. The paper presents relations between analysed parameters and influence of land exploitation mode on water quality and describes variation of the results both in space and time. Content Type Journal Article Pages 1-13 DOI 10.1007/s10661-011-2096-5 Authors Monika Cieszynska, Department of Environmental Protection and Hygiene of Transport, Medical University of Gdansk, Powstania Styczniowego 9B str., 81-519 Gdynia, Poland Marek Wesolowski, Department of Analytical Chemistry, Medical University of Gdansk, Al. Gen. J. Hallera 107, 80-416 Gdansk, Poland Maria Bartoszewicz, Department of Environmental Protection and Hygiene of Transport, Medical University of Gdansk, Powstania Styczniowego 9B str., 81-519 Gdynia, Poland Malgorzata Michalska, Department of Environmental Protection and Hygiene of Transport, Medical University of Gdansk, Powstania Styczniowego 9B str., 81-519 Gdynia, Poland Jacek Nowacki, Department of Environmental Protection and Hygiene of Transport, Medical University of Gdansk, Powstania Styczniowego 9B str., 81-519 Gdynia, Poland Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description: The emergence of multimodal imaging methods for real-time nanoscopy Content Type Journal Article Pages 1-2 DOI 10.1007/s00216-011-5125-x Authors Cyril Petibois, University of Bordeaux, CNRS UMR 5248 CBMN Allée de Saint-Hillaire, F33600 Pessac-Cedex, France Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Chemometric methods have critical importance for the discovery of the information/knowledge buried or concealed in high-dimensional datasets acquired from comprehensive multidimensional separations (CMDS), and for interpretation of experiments or chemical processes. In this work, employment of new developments in chemometrics making full use of the data to maximize the potential of CMDS to resolve mathematically a variety of practical problems is reviewed whilst providing the authors' point of view. During the past several years, chemometrics has been successfully applied to many areas of concern to CMDS investigation, including experimental parameter optimization, data quality improvement, identification and quantification of target chemical components, pattern recognition technique for clustering and classification, multivariate model establishment to correlate chromatographic properties and molecular descriptors. On the basis of the high-dimensionality characteristics of CMDS, some special aspects such as evaluation of orthogonality and image processing have also been included in this review. It is expected that an overview of the diverse ways in which chemometrics can aid CMDS investigations will prove valuable to interested users in this area through a comprehensive survey of previous research contributions. Chemometrics lends itself well to the powerful separation capability of CMDS. Content Type Journal Article Pages 1-14 DOI 10.1007/s00216-011-5139-4 Authors Zhong-Da Zeng, Centre for Green Chemistry, School of Chemistry, Monash University, Wellington Rd, Clayton, 3800 Australia Helmut M. Hugel, School of Applied Sciences, RMIT University, G.P.O. Box 2476, Melbourne, 3001 Australia Philip J. Marriott, Centre for Green Chemistry, School of Chemistry, Monash University, Wellington Rd, Clayton, 3800 Australia Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Chemical analysis of ancient residues of pharmaceutical or cosmetic preparations such as balms or ointments is made problematic by the high complexity of these mixtures, composed of organic and inorganic materials. Consequently, a multi-analytical approach and special caution in the interpretation of the results are necessary. In order to contribute to the improvement of analytical strategies for the characterization of complex residues and to reconstruct ancient medical practices, a replica of a pharmaceutical formulation of the seventeenth century was prepared in the laboratory according to a historically documented recipe. In a round robin exercise, a portion of the preparation was analysed as a blind sample by 11 laboratories using various analytical techniques. These included spectroscopic, chromatographic and mass spectrometric methods. None of the laboratories was able to completely reconstruct the complex formulation, but each of them gave partial positive results. The round robin exercise has demonstrated that the application of a multi-analytical approach can permit a complete and reliable reconstruction of the composition. Finally, on the basis of the results, an analytical protocol for the study of residues of ancient medical and pharmaceutical preparations has been outlined. Content Type Journal Article Pages 1-14 DOI 10.1007/s00216-011-5105-1 Authors M. P. Colombini, Dipartimento di Chimica, SCIBEC, Università di Pisa, 56126 Pisa, Italy F. Modugno, Dipartimento di Chimica, SCIBEC, Università di Pisa, 56126 Pisa, Italy M. C. Gamberini, Department of Pharmaceutical Sciences, University of Modena and Reggio Emilia, 41125 Modena, Italy M. Rocchi, Dipartimento di Chimica, SCIBEC, Università di Pisa, 56126 Pisa, Italy C. Baraldi, Department of Pharmaceutical Sciences, University of Modena and Reggio Emilia, 41125 Modena, Italy T. Deviese, British Museum, Department of Conservation and Scientific Research, London, WC1B 3DG UK R. J. Stacey, British Museum, Department of Conservation and Scientific Research, London, WC1B 3DG UK M. Orlandi, Dipartimento di Scienze dell’Ambiente e del Territorio, Università di Milano Bicocca, 20126 Milan, Italy F. Saliu, Dipartimento di Scienze dell’Ambiente e del Territorio, Università di Milano Bicocca, 20126 Milan, Italy C. Riedo, Dipartimentodi Chimica IFM e NIS Centro di Eccellenza, Università degli Studi di Torino, 10124 Turin, Italy O. Chiantore, Dipartimentodi Chimica IFM e NIS Centro di Eccellenza, Università degli Studi di Torino, 10124 Turin, Italy G. Sciutto, Centro Interdipartimentale di Ricerca per le Scienze Ambientali, Microchemistry and Microscopy Art Diagnostic Laboratory (M2ADL), Università di Bologna, 40126 Bologna, Italy E. Catelli, Centro Interdipartimentale di Ricerca per le Scienze Ambientali, Microchemistry and Microscopy Art Diagnostic Laboratory (M2ADL), Università di Bologna, 40126 Bologna, Italy L. Brambilla, Dipartimento di Chimica, Materiali e Ingegneria Chimica, Politecnico di Milano, 20133 Milan, Italy L. Toniolo, Dipartimento di Chimica, Materiali e Ingegneria Chimica, Politecnico di Milano, 20133 Milan, Italy C. Miliani, Istituto CNR-ISTM Perugia, 06123 Perugia, Italy P. Rocchi, Istituto CNR-ISTM Perugia, 06123 Perugia, Italy J. Bleton, LETIAM, IUT d’Orsay, 91400 Orsay, France U. Baumer, Doerner Institut, 80799 Munich, Germany P. Dietemann, Doerner Institut, 80799 Munich, Germany G. Pojana, Università Ca‘Foscari Venezia, 30123 Venetia, Italy S. Marras, Università Ca‘Foscari Venezia, 30123 Venetia, Italy Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Bisphenol A (BPA) is a synthetic industrial reactant used in the production of polycarbonate plastics, and genistein is a natural phytoestrogen abundant in the soybean. Current studies investigating the endocrine-disrupting effects of concomitant exposures to BPA and genistein have warranted the development of an analytical method for the simultaneous measurement of BPA and genistein, as well as their primary metabolites, bisphenol A ß- d -glucuronide (BPA gluc) and genistein 4′-ß- d -glucuronide (genistein gluc), respectively. All four analytes were extracted from rat plasma via solid phase extraction (SPE). Three SPE cartridges and four elution schemes were tested. Plasma extraction using Bond Elut Plexa cartridges with sequential addition of ethyl acetate, methanol, and acetonitrile yielded optimal average recoveries of 98.1 ± 1.8% BPA, 94.9 ± 8.0% genistein, 91.4 ± 6.1% BPA gluc, and 103 ± 6.1% genistein gluc. Identification and quantification of the four analytes were performed by a validated HPLC-MS/MS method using electrospray ionization and selective reaction monitoring. This novel analytical method should be applicable to the measurement of BPA, genistein, BPA gluc, and genistein gluc in urine, cultures, and tissue following in vivo exposures. While reports of the determination of BPA and genistein independently exist, the simultaneous optimized extraction and detection of BPA, genistein, BPA gluc, and genistein gluc have not previously been reported. Figure  BPA and genistein co-exposure scenario. BPA-laden polycarbonate plastic baby bottle filled with soymilk, a rich source of genistein, provides a classic exposure scenario to young children—a population that is particularly vulnerable to the effects of endocrine-disrupting compounds Content Type Journal Article Pages 1-8 DOI 10.1007/s00216-011-5151-8 Authors Janis L. Coughlin, Environmental and Occupational Health Sciences Institute, A Joint Institute of Rutgers University and the University of Medicine and Dentistry of New Jersey (UMDNJ), Piscataway, NJ 08854, USA Bozena Winnik, Environmental and Occupational Health Sciences Institute, A Joint Institute of Rutgers University and the University of Medicine and Dentistry of New Jersey (UMDNJ), Piscataway, NJ 08854, USA Brian Buckley, Environmental and Occupational Health Sciences Institute, A Joint Institute of Rutgers University and the University of Medicine and Dentistry of New Jersey (UMDNJ), Piscataway, NJ 08854, USA Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    The recent use of a one-dimensional (1D) X-ray Talbot interferometer has triggered great interest in X-ray differential phase contrast imaging. As an improved version of a 1D interferometer, the development of two-dimensional (2D) grating interferometry strongly stimulated applications of grating-based imaging. In the framework of Fresnel diffraction theory, we investigated the self-image of 2D-phase gratings under partially coherent illumination. The fringe visibility of the self-image has been analyzed as a function of the spatial coherence length. From the viewpoint of self-image visibility, it is possible to find the optimal 2D grid for 2D X-ray grating interferometer imaging. Numerical simulations have been also carried out for quantitative evaluation. Results, in good agreement with theoretical analysis, indicate the spatial coherence requirements of the radiation illuminating a 2D grating interferometer. Moreover, our results can be used to optimize performances of a 2D grating interferometer and for further theoretical and experimental research on grating-based imaging systems. Content Type Journal Article Pages 1-6 DOI 10.1007/s00216-011-5146-5 Authors Xin Ge, National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, 230026 China Zhili Wang, National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, 230026 China Kun Gao, National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, 230026 China Kai Zhang, Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing, 100049 China Youli Hong, Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing, 100049 China Dajiang Wang, National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, 230026 China Zhongzhu Zhu, Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing, 100049 China Peiping Zhu, Beijing Synchrotron Radiation Facility, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing, 100049 China Ziyu Wu, National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei, 230026 China Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    An ultra-performance liquid chromatography-tandem mass spectrometry method was developed, optimised and validated for the quantification of synthetic folic acid (FA), also called pteroyl- l -glutamic acid or vitamin B9 and naturally occurring 5-methyltetrahydrofolate (5-MTHF) found in folate-fortified breads. Optimised sample preparation prior to analysis involved addition of 13 C 5 labelled internal standards, treatments with α-amylase and rat serum, solid-phase extraction using aromatic-selective cartridges and ultra-filtration. Analytes were separated on a Waters ACQUITY HSS T3 column during a 6-min run and analysed by positive ion electrospray selected reaction monitoring MS/MS. Standard calibration curves for the two analytes were linear over the range of 0.018–14 μg FA/g of fresh bread ( r 2  = 0.997) and 9.3–900 ng 5-MTHF/g of fresh bread ( r 2  = 0.999). The absolute recoveries were 90% and 76% for FA and 5-MTHF, respectively. Intra-day coefficients of variation were 3% for FA and 18% for 5-MTHF. The limit of detection was 9.0 ng/g for FA and 4.3 ng/g for 5-MTHF, determined using pre-extracted tapioca starch as the blank matrix. The assay is rugged, fast, accurate and sensitive, applicable to a variety of food matrices and is capable of the detection and quantification of the naturally occurring low levels of 5-MTHF in wheat breads. The findings of this study revealed that the FA range in Australian fortified breads was 79–110 μg/100 g of fresh bread and suggest that the flour may not have the mandated FA fortification level (200–300 μg/100 g of flour), though this cannot be determined conclusively from experimental bread data alone, as variable baking losses have been documented by other authors. Figure  Chromatogram of labelled folic acid using UPLC-MS/MS Content Type Journal Article Pages 1-8 DOI 10.1007/s00216-011-5156-3 Authors Maria V. Chandra-Hioe, Food Science and Technology, School of Chemical Engineering, University of New South Wales, Sydney, 2052 Australia Martin P. Bucknall, Mark Wainwright Analytical Centre, Bioanalytical Mass Spectrometry Facility, University of New South Wales, Sydney, 2052 Australia Jayashree Arcot, Food Science and Technology, School of Chemical Engineering, University of New South Wales, Sydney, 2052 Australia Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Multi-walled carbon nanotubes (MWCNTs) were evaluated as potential adsorbents for miniaturized solid-phase extraction coupled to liquid chromatography. The adsorption capacity of this sorbent was applied to assess the speciation of four cobalamins representing the various forms of vitamin B 12 . The preconcentration on the MWCNTs was based on the retention of analytes by introducing the sample online into the mini-column system. Dimethyl sulfoxide was used to elute the retained vitamins for liquid chromatographic analysis. The experimental conditions of the continuous flow device, which affect the enrichment procedure, such as the type and amount of nanotubes, the volume, pH and flow rate of the sample solution, and the eluent and its volume, were optimized. For detection purposes, a diode array device was used and good resolution was obtained with a mobile-phase acetonitrile–phosphate buffer and gradient elution. Specificity was demonstrated by the retention characteristics and UV spectra and by comparing the peak purity index with commercial standards. Linearity, precision, recovery, and sensitivity were satisfactory. Detection limits ranged from 0.35 to 30 ng mL −1 . The method was successfully applied to the determination of cobalamins in seafoods, which were extracted from the sample with a buffer solution using an ultrasonic probe. The reliability of the procedure was checked by analyzing a certified reference material. Content Type Journal Article Pages 1-7 DOI 10.1007/s00216-011-5158-1 Authors Pilar Viñas, Department of Analytical Chemistry, Faculty of Chemistry, University of Murcia, 30071 Murcia, Spain Ignacio López-García, Department of Analytical Chemistry, Faculty of Chemistry, University of Murcia, 30071 Murcia, Spain María Bravo Bravo, Department of Analytical Chemistry, Faculty of Chemistry, University of Murcia, 30071 Murcia, Spain Manuel Hernández-Córdoba, Department of Analytical Chemistry, Faculty of Chemistry, University of Murcia, 30071 Murcia, Spain Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    The multidisciplinary socio-economic study of fisheries in the bordering part of the Danube River between Serbia and Croatia (at the following sites: Apatin, Bačka Palanka, Bačko Novo Selo, Bezdan, and Sombor) that was performed in order to investigate various aspects of fish resource utilization (management, policy of protection and exploitation of freshwater fishery resources, present fisheries legislation, catch statistics), was realized during 2004 and 2005. Data were collected via survey with a structured interview. Socio-economic circumstances, together with ecological factors, have had an influence on the fish stock and number of commercial fishermen. Awareness of the occurring problems, both economic and ecological ones, is apparent, regardless of whether it is assessed in the field of commercial or recreational fishing. Fishery sector in Serbia is in a prolonged process of transition, with the enforcement of fishing regulations, but also the lack of control that leaves space for illegal commercial fishing. The statements, consciousness, experience and behavior of commercial fishermen represent a good basis for planning the sustainable development of fishing in this section of the Danube River. Content Type Journal Article Pages 1-14 DOI 10.1007/s10661-011-2140-5 Authors Marija Smederevac-Lalić, Institute for Multidisciplinary Research, Kneza Višeslava 1, 11000 Belgrade, Serbia Radmilo Pešić, Faculty of Agriculture, University of Belgrade, Nemanjina 6, Zemun, Belgrade, Serbia Slobodan Cvejić, Faculty of Philosophy, University of Belgrade, Čika Ljubina 18-20, Belgrade, Serbia Predrag Simonović, Faculty of Biology, University of Belgrade, Studentski trg 16, Belgrade, Serbia Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    Heavy metals released from different sources in urban environment get adsorbed on respirable particulate matter less than 10 μm in size (PM 10 ) and are important from public health point of view causing morbidity and mortality. Therefore, the ambient air quality monitoring was carried out to study the temporal and special pattern in the distribution of PM 10 and associated heavy metal content in the atmosphere of Nagpur, Maharashtra State, India during 2001 as well as in 2006. PM 10 fraction was observed to exceed the stipulated standards in both years. It was also observed that minimum range of PM 10 was observed to be increased in 2006 indicating increase in human activity during nighttime also. Six heavy metals were analyzed and were observed to occur in the order Zn 〉 Fe 〉 Pb 〉 Ni 〉 Cd 〉 Cr in 2006, similar to the trend in other metro cities in India. Lead and Nickel were observed to be within the stipulated standards. Poor correlation coefficient ( R 2 ) between lead and PM 10 indicated that automobile exhaust is not the source of metals to air pollution. Commercial and industrial activity as well as geological composition may be the potential sources of heavy metal pollution. Total load of heavy metals was found to be increased in 2006 with prominent increase in zinc, lead, and nickel in the environment. Public health impacts of heavy metals as well as certain preventive measures to mitigate the impact of heavy metals on public health are also summarized. Content Type Journal Article Pages 1-10 DOI 10.1007/s10661-011-2133-4 Authors Pramod R. Chaudhari, National Environmental Engineering Research Institute, Nehru Marg, Nagpur, 440020 India Rakhi Gupta, National Environmental Engineering Research Institute, Nehru Marg, Nagpur, 440020 India Daulat Ghilagi Gajghate, National Environmental Engineering Research Institute, Nehru Marg, Nagpur, 440020 India Satish R. Wate, National Environmental Engineering Research Institute, Nehru Marg, Nagpur, 440020 India Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    The soils adjacent to an area of historical mining, ore processing and smelting activities reflects the historical background and a mixing of recent contamination sources. The main anthropogenic sources of metals can be connected with historical and recent mine wastes, direct atmospheric deposition from mining and smelting processes and dust particles originating from open tailings ponds. Contaminated agriculture and forest soil samples with mining and smelting related pollutants were collected at different distances from the source of emission in the Pb–Zn–Ag mining area near Olkusz, Upper Silesia to (a) compare the chemical speciation of metals in agriculture and forest soils situated at the same distance from the point source of pollution (paired sampling design), (b) to evaluate the relationship between the distance from the polluter and the retention of the metals in the soil, (c) to describe mineralogy transformation of anthropogenic soil particles in the soils, and (d) to assess the effect of deposited fly ash vs. dumped mining/smelting waste on the mobility and bioavailability of metals in the soil. Forest soils are much more affected with smelting processes than agriculture soils. However, agriculture soils suffer from the downward metal migration more than the forest soils. The maximum concentrations of Pb, Zn, and Cd were detected in a forest soil profile near the smelter and reached about 25 g kg  − 1 , 20 g kg  − 1 and 200 mg kg  − 1 for Pb, Zn and Cd, respectively. The metal pollutants from smelting processes are less stable under slightly alkaline soil pH then acidic due to the metal carbonates precipitation. Metal mobility ranges in the studied forest soils are as follows: Pb 〉 Zn ≈ Cd for relatively circum-neutral soil pH (near the smelter), Cd 〉 Zn 〉 Pb for acidic soils (further from the smelter). Under relatively comparable pH conditions, the main soil properties influencing metal migration are total organic carbon and cation exchange capacity. The mobilization of Pb, Zn and Cd in soils depends on the persistence of the metal-containing particles in the atmosphere; the longer the time, the more abundant the stable forms. The dumped mining/smelting waste is less risk of easily mobilizable metal forms, however, downward metal migration especially due to the periodical leaching of the waste was observed. Content Type Journal Article Pages 1-20 DOI 10.1007/s10661-011-2135-2 Authors Vladislav Chrastný, Czech Geological Survey, Geologická 6, 152 00 Praha 5, Czech Republic Aleš Vaněk, Department of Soil Science and Soil Protection, Czech University of Life Sciences Prague, Kamýcká 129, 165 21 Praha 6, Czech Republic Leslaw Teper, Faculty of Earth Sciences, University of Silesia, 60 Będzińska St, 41-200 Sosnowiec, Poland Jerzy Cabala, Faculty of Earth Sciences, University of Silesia, 60 Będzińska St, 41-200 Sosnowiec, Poland Jan Procházka, Applied Ecology Laboratory, Faculty of Agriculture, University of South Bohemia, Studentská 13, 370 05 České Budějovice, Czech Republic Libor Pechar, Applied Ecology Laboratory, Faculty of Agriculture, University of South Bohemia, Studentská 13, 370 05 České Budějovice, Czech Republic Petr Drahota, Institute of Geochemistry, Mineralogy and Mineral Resources, Charles University, Albertov 6, 128 43 Praha 2, Czech Republic Vít Penížek, Department of Soil Science and Soil Protection, Czech University of Life Sciences Prague, Kamýcká 129, 165 21 Praha 6, Czech Republic Michael Komárek, Department of Agro-Environmental Chemistry and Plant Nutrition, Czech University of Life Sciences Prague, Kamýcká 129, 165 21 Praha 6, Czech Republic Martin Novák, Czech Geological Survey, Geologická 6, 152 00 Praha 5, Czech Republic Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    The surface water qualities of Hussainsagar, an eutrophic urban lake in the midst of twin cities of Hyderabad and Secunderabad (India) receiving large quantities of external inputs—both untreated municipal sewage containing industrial effluents, and treated sewage, a large number of annually immersed idols of God and Goddess, and intense boating activities were assessed in relation to the concentration of elements including heavy metals of the water along the necklace road of the lake. Elemental analyses of water using ICP-MS revealed 26 elements including heavy metals—As, Cd, Cr, Ni, Pb, Cu, Fe, Mn, Se, Ba, Zn, Mo, V, Co, Ag, Sr, Rb, Mg, K, Ca, Al, Si, Sb, Na, Li, and B, in the surface water of the lake. Of these, the first 15 elements were found in elevated concentrations in the water at the outfall point of the untreated municipal sewage (site 3), which was the main dominating source of contamination of the lake water while Cu and Sb were recorded in higher concentrations at the outfall of treated effluent from Sewage Treatment Plant, and three elements (Ba, Si, and B) were in higher concentration at the sites of outfall of sewage flowing from an oxygenated pond (site 4), Ca, Zn, and Sr, at the site immersed with idols (site 1), and Pb, Ag, and Al at the center of the lake (site 5) with intense boating activities. Concentrations of most of these elements exceeded the maximum permissible limits of national (Indian Council Medical Research) standards for drinking water. The concentrations of most of the elemental contaminants showed significant positive correlations between them. Content Type Journal Article Pages 1-10 DOI 10.1007/s10661-011-2094-7 Authors M. Vikram Reddy, Department of Ecology and Environmental Sciences, Pondicherry Central University, Pondicherry, 605 014 India K. Sagar Babu, Department of Ecology and Environmental Sciences, Pondicherry Central University, Pondicherry, 605 014 India V. Balaram, Council of Scientific and Industrial Research, National Geophysical Research Institute, Hyderabad, 500 606 Andhra Pradesh, India M. Satyanarayanan, Council of Scientific and Industrial Research, National Geophysical Research Institute, Hyderabad, 500 606 Andhra Pradesh, India Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    Human remains detection canines are used in locating deceased humans in diverse scenarios and environments based on odor produced during the decay process of the human body. It has been established that human remains detection canines are capable of locating human remains specifically, as opposed to living humans or animal remains, thus suggesting a difference in odor between the different sources. This work explores the collection and determination of such odors using a dynamic headspace concentration device. The airflow rate and three sorbent materials—Dukal cotton gauze, Johnson & Johnson cotton-blend gauze, and polyester material—used for odor collection were evaluated using standard compounds. It was determined that higher airflow rates and openly woven material, e.g., Dukal cotton gauze, yielded significantly less total volatile compounds due to compound breakthrough through the sorbent material. Collection from polymer- and cellulose-based materials demonstrated that the molecular backbone of the material is a factor in compound collection as well. Volatiles, including cyclic and straight-chain hydrocarbons, organic acids, sulfides, aldehydes, ketones, and alcohols, were collected from a population of 27 deceased bodies from two collection locations. The common compounds between the subjects were compared and the odor profiles were determined. These odor profiles were compared with those of animal remains and living human subjects collected in the same manner. Principal component analysis showed that the odor profiles of the three sample types were distinct. Content Type Journal Article Pages 1-13 DOI 10.1007/s00216-011-5167-0 Authors Lauryn E. DeGreeff, International Forensic Research Institute, Department of Chemistry and Biochemistry, Florida International University, 11200 S.W. 8th Street, Miami, FL 33199, USA Kenneth G. Furton, International Forensic Research Institute, Department of Chemistry and Biochemistry, Florida International University, 11200 S.W. 8th Street, Miami, FL 33199, USA Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    The main objective of this study was to investigate the concentrations of polycyclic aromatic hydrocarbons (PAHs) in inter-tidal sediments of the Kenting coast, Taiwan, to assess the levels and origin of PAHs, and to provide useful information on the potential ecological risk of PAHs to benthic organisms. The total concentrations of 38 PAHs ranged from 0.2 to 493 ng/g dry weight. The high variation in total PAH concentrations was caused by the sand content of the sediment in the area. Compared with other coasts and bays in the world, the concentrations of PAHs in the inter-tidal surface sediment of the Kenting coast is low to moderate. Based on the sediment quality guidelines, the total PAH concentrations were below the effects range low value, indicating that the PAH levels in the Kenting area were within minimal effects ranges for benthic organisms. Principal component analysis and isomer ratios were analyzed to identify the contamination source in the inter-tidal surface sediment of the Kenting coast. The results of compounds’ pattern and origin analysis suggest that the source of PAHs in the inter-tidal surface sediment of the Kenting coast is the combustion of petroleum and biomass. Content Type Journal Article Pages 1-10 DOI 10.1007/s10661-011-2202-8 Authors Jing-O Cheng, National Museum of Marine Biology and Aquarium, Pingtung, Taiwan Fung-Chi Ko, National Museum of Marine Biology and Aquarium, Pingtung, Taiwan Jan-Jung Li, National Museum of Marine Biology and Aquarium, Pingtung, Taiwan Te-Hao Chen, National Museum of Marine Biology and Aquarium, Pingtung, Taiwan Ying-Ming Cheng, National Museum of Marine Biology and Aquarium, Pingtung, Taiwan Chon-Lin Lee, Department of Marine Environment and Engineering, National Sun Yat-Sen University, Kaohsiung, Taiwan Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    A new sensitive and fast quantitative analytical method for the simultaneous determination of clopidogrel, its main metabolite clopidogrel carboxylic acid, and the newly described acyl glucuronide metabolite, in human plasma samples, is presented. The analytical procedures (plasma storage, handling, and extract storage in the autosampler) were optimized in order to avoid back-conversion; a known drawback in measurements of clopidogrel. Clopidogrel acyl glucuronide was confirmed as a major source of back-conversion to the parent drug in the presence of methanol, and thorough stability experiments were carried out to find the most appropriate conditions for an accurate analysis of clopidogrel and the two metabolites. The method was validated by assessing selectivity, sensitivity, linearity, accuracy, and precision for all three analytes, in accordance to Food and Drug Administration guidelines. Spiked quality controls in plasma as well as incurred samples were used to verify back-conversion in the selected conditions, with results meeting European Medicines Agency acceptance criteria (concentrations within 80–120% of the first reading). The method was then applied to a pharmacokinetic study, and for the first time, a pharmacokinetic curve of clopidogrel acyl glucuronide in human plasma is presented. The concentrations ranged up to 1,048.684 ng/mL, with a mean of 470.268 ng/mL, while clopidogrel had a mean C max of 1.348 ng/mL; these orders of magnitude show how much the back-conversion of this metabolite may influence clopidogrel quantification if it is not properly controlled. Content Type Journal Article Pages 1-12 DOI 10.1007/s00216-011-5147-4 Authors Luigi Silvestro, 3S-Pharmacological Consultation & Research GmbH, Koenigsbergerstrasse 1, 27243 Harpstedt, Germany Mihaela Gheorghe, Pharma Serv Int’l SRL, 52 Sabinelor Str., 5th District, 050853 Bucharest, Romania Adriana Iordachescu, Pharma Serv Int’l SRL, 52 Sabinelor Str., 5th District, 050853 Bucharest, Romania Valentin Ciuca, Pharma Serv Int’l SRL, 52 Sabinelor Str., 5th District, 050853 Bucharest, Romania Ariana Tudoroniu, Pharma Serv Int’l SRL, 52 Sabinelor Str., 5th District, 050853 Bucharest, Romania Simona Rizea Savu, 3S-Pharmacological Consultation & Research GmbH, Koenigsbergerstrasse 1, 27243 Harpstedt, Germany Isabela Tarcomnicu, Pharma Serv Int’l SRL, 52 Sabinelor Str., 5th District, 050853 Bucharest, Romania Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    In this study, we employed laser ablation/inductively coupled plasma mass spectrometry (LA-ICP-MS) to map the spatial distribution of Gd-doped iron oxide nanoparticles (IONPs) in one tumor slice that had been subjected to magnetic fluid hyperthermia (MFH). The mapping results revealed the high resolution of the elemental analysis, with the distribution of Gd atoms highly correlated with that of the Fe atoms. The spatial distributions of C, P, S, and Zn atoms revealed that the effect of MFH treatment was significantly dependent on the diffusion of the magnetic fluid in the tissue. An observed enrichment of Cu atoms after MFH treatment was probably due to inflammation in the tumor. The abnormal distribution of Ni atoms suggests a probable biochemical reaction in the tumor. Therefore, this LA-ICP-MS mapping technique can provide novel information regarding the spatial distribution of elements in tumors after cancer therapy. Figure  Mapping and ion intensities of a 56 Fe and b 158 Gd atoms. The red line indicates the path taken during the time-resolved analyses of Fe and Gd atoms Content Type Journal Article Pages 1-7 DOI 10.1007/s00216-011-5144-7 Authors Yi-Kong Hsieh, Department of Biomedical Engineering and Environmental Sciences, National Tsing Hua University, Hsinchu, 30013 Taiwan Pei-Shin Jiang, Department of Biomedical Engineering and Environmental Sciences, National Tsing Hua University, Hsinchu, 30013 Taiwan Bing-Shen Yang, Department of Biomedical Engineering and Environmental Sciences, National Tsing Hua University, Hsinchu, 30013 Taiwan Tian-Ye Sun, Department of Environmental Science and Engineering, Tsinghua University, Beijing, 100084 China Hsu-Hsia Peng, Department of Biomedical Engineering and Environmental Sciences, National Tsing Hua University, Hsinchu, 30013 Taiwan Chu-Fang Wang, Department of Biomedical Engineering and Environmental Sciences, National Tsing Hua University, Hsinchu, 30013 Taiwan Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    The new analytical method using Quick, Easy, Cheap, Effective, Rugged, and Safe (QuEChERS) procedure for simultaneous determination of diacylhydrazine insecticide residues in fruits and vegetables was developed using ultra-performance liquid chromatography coupled with tandem mass spectrometry (UPLC-MS/MS). The four insecticides (tebufenozide, methoxfenozide, chromafenozide, and halofenozide) were extracted from six fruit and vegetable matrices using acetonitrile and subsequently cleaned up using primary secondary amine (PSA) or octadecylsilane (C18) as sorbent prior to UPLC-MS/MS analysis. The determination of the target compounds was achieved in less than 3.0 min using an electrospray ionization source in positive mode (ESI+) for tebufenozide, methoxfenozide, and halofenozide and in negative mode (ESI−) for chromafenozide. The limits of detection were below 0.6 μg kg −1 , while the limit of quantification did not exceed 2 μg kg −1 in different matrices. The QuEChERS procedure by using two sorbents (PSA and C18) and the matrix-matched standards gave satisfactory recoveries and relative standard deviation (RSD) values in different matrices at four spiked levels (0.01, 0.05, 0.1, and 1 mg kg −1 ). The overall average recoveries for this method in apple, grape, cucumber, tomato, cabbage, and spinach at four levels ranged from 74.2% to 112.5% with RSDs in the range of 1.4–13.8% ( n  = 5) for all analytes. This study provides a theoretical basis for China to draw up maximum residue limits and analytical method for diacylhydrazine insecticide in vegetables and fruits. Content Type Journal Article Pages 1-8 DOI 10.1007/s00216-011-5148-3 Authors Xingang Liu, Key Laboratory of Pesticide Chemistry and Application, Ministry of Agriculture, Institute of Plant Protection, Chinese Academy of Agricultural Sciences, Beijing, 100193 China Jun Xu, Key Laboratory of Pesticide Chemistry and Application, Ministry of Agriculture, Institute of Plant Protection, Chinese Academy of Agricultural Sciences, Beijing, 100193 China Fengshou Dong, Key Laboratory of Pesticide Chemistry and Application, Ministry of Agriculture, Institute of Plant Protection, Chinese Academy of Agricultural Sciences, Beijing, 100193 China Yuanbo Li, Key Laboratory of Pesticide Chemistry and Application, Ministry of Agriculture, Institute of Plant Protection, Chinese Academy of Agricultural Sciences, Beijing, 100193 China Wenchen Song, Institute for the Control of Agrochemicals, Ministry of Agriculture, Beijing, 100125 China Yongquan Zheng, Key Laboratory of Pesticide Chemistry and Application, Ministry of Agriculture, Institute of Plant Protection, Chinese Academy of Agricultural Sciences, Beijing, 100193 China Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Metabolites of synthetic pyrethroids such as cis -3-(2,2-dibromovinyl)-2,2-di-methylcyclo-propane-1-carboxylic acid, cis - and trans -3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-1-carboxylic acid), 3-phenoxybenzoic acid (3-PBA), and 4-fluoro-3-PBA are biomarkers for exposure to phenothrin, tetramethrin, cyfluthrin, cypermethrin, deltamethrin, and permethrin. In this study, the pyrethroid metabolites in workers’ urine samples were monitored for the first time with a novel sample pretreatment process combining hollow fiber liquid phase microextraction (HF-LPME) and in-syringe derivatization (ISD) followed by gas chromatography–electron capture detector (GC-ECD) analysis. A micro-syringe pre-filled with derivatizing agents and syringe needle connected to an extracting solvent impregnated hollow fiber segment was used as the LPME probe. Pyrethroid metabolites were extracted and enriched simultaneously from urine samples by HF-LPME sampling and acid hydrolysis at 70 °C for 10 min. After sampling, the ISD was performed by mixing the extracting solution and derivatizing agents through plunger movements, followed by GC-ECD analysis. Parameters influencing the HF-LPME efficiency and ISD were investigated and optimized. Under optimum conditions, the method provided enrichment factors of 69.8–154.6, repeatability from 5.0 to 12% ( n  = 5), and good linearity ( R 2  = 0.9980–0.9998) for interested analytes spiked in urine samples. The method detection limits ranged from 1.6 to 17 ng/mL. A comparison was performed between the proposed method and conventional methods. The proposed method was applied to analyze pyrethroid metabolites in the urine samples collected from workers of pesticide formulation plants. The results suggested that the proposed HF-LPME coupled ISD method was a rapid, simple, efficient, and eco-friendly technique in the biomonitoring of metabolites of pyrethroids in workers’ urine. Content Type Journal Article Pages 1-11 DOI 10.1007/s00216-011-5122-0 Authors Chiu-Hwa Lin, Department of Chemistry, National Chung Hsing University, Taichung City, 402 Taiwan Cheing-Tong Yan, Department of Occupational Safety and Health, Chung-Shan Medical University, Taichung, 402 Taiwan Ponnusamy Vinoth Kumar, Department of Chemistry, National Chung Hsing University, Taichung City, 402 Taiwan Hong-Ping Li, Residue Control Department, Taiwan Agricultural Chemicals and Toxic Substances Research Institute, Council of Agriculture (TACTRI/COA), Wu-Fung, Taichung City, 413 Taiwan Jen-Fon Jen, Department of Chemistry, National Chung Hsing University, Taichung City, 402 Taiwan Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    An integrated approach based on the use of inductively coupled plasma mass spectrometry (ICP-MS) and scanning electron microscopy (SEM) for the qualitative and quantitative analyses of metal particles in foods was devised and validated. Different raw materials and food products, like wheat, durum wheat, wheat flour, semolina, cookies, and pasta were considered. Attention was paid to the development of sample treatment protocols for each type of sample to avoid potential artifacts such as aggregation or agglomeration. The analytical protocols developed followed by ICP-MS and SEM investigations allowed us the quantitative determination and the morphological and dimensional characterization of metal nano- and microparticles isolated from the raw materials and finished food products considered. The ICP-MS method was validated in terms of linearity (0.8–80 μg/g and 0.09–9 μg/g for Fe and Ti, respectively), quantification limits (0.73 μg/g for Fe and 0.09 μg/g for Ti), repeatability (relative standard deviation (RSD) % equal to 10% for Fe and 20% in a wheat matrix as an example), and extraction recoveries (93 ± 2–101 ± 2%). Validation of the scanning electron microscopy–energy dispersive X-ray spectroscopy (SEM-EDS) measurements was performed working in a dimensional range from 1 to 100 μm with an estimated error in the size determination equal to 0.5 μm. ICP-MS data as well as SEM measurements showed a decrease in the concentration of metal particles from wheat to flour and from durum wheat to semolina samples, thus indicating an external contamination of grains by metal particles. These findings were confirmed by environmental SEM analysis, which allowed investigation of particles of lower dimensions. Generally, the largest number of particles was found in the case of iron and titanium, whereas particles of copper and zinc were only occasionally found without any possibility of quantifying their number. Content Type Journal Article Pages 1-9 DOI 10.1007/s00216-011-5149-2 Authors D. Beltrami, Dipartimento di Chimica Generale ed Inorganica, Chimica Analitica, Chimica Fisica, Università degli Studi di Parma, Parco Area delle Scienze 17/A, 43124 Parma, Italy D. Calestani, IMEM-CNR, Parco Area delle Scienze 37/A, 43124 Parma, Italy M. Maffini, Dipartimento di Chimica Generale ed Inorganica, Chimica Analitica, Chimica Fisica, Università degli Studi di Parma, Parco Area delle Scienze 17/A, 43124 Parma, Italy M. Suman, Barilla Food Research Labs, via Mantova 166, 43100 Parma, Italy B. Melegari, Barilla Food Research Labs, via Mantova 166, 43100 Parma, Italy A. Zappettini, IMEM-CNR, Parco Area delle Scienze 37/A, 43124 Parma, Italy L. Zanotti, IMEM-CNR, Parco Area delle Scienze 37/A, 43124 Parma, Italy U. Casellato, ICIS-CNR, Area della Ricerca, C.so Stati Uniti 4, 35127 Padova, Italy M. Careri, Dipartimento di Chimica Generale ed Inorganica, Chimica Analitica, Chimica Fisica, Università degli Studi di Parma, Parco Area delle Scienze 17/A, 43124 Parma, Italy A. Mangia, Dipartimento di Chimica Generale ed Inorganica, Chimica Analitica, Chimica Fisica, Università degli Studi di Parma, Parco Area delle Scienze 17/A, 43124 Parma, Italy Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Electron spin resonance spectroscopy and mass spectrometry are two analytical methods that are very rarely used in combination. In this paper, we will show that the methods complement one another in the example of the distribution of stable nitroxide radicals in human skin, including the spatial resolution of these distribution processes. There are many ESR investigations dealing with this subject, but unfortunately, they are all limited to the detection of paramagnetic species. The combination with MS allows the successful examination of the distribution profile of the main biotransformation product of the nitroxide radicals, the respective “ESR-silent” hydroxylamines. In order to maintain the biological state of the sample material as far as possible, atmospheric pressure matrix-assisted laser desorption/ionization with ion trap detection has been used for the mass spectrometric investigations. The results validate the former findings of the strong reduction of stable free radicals by biological material; moreover, the diamagnetic species formed during these processes have been identified. Figure  Comparison of the ESR and MS results concerning the distribution of the nitroxide radical CAT-1 and CAT-1-H in a human skin biopsy Content Type Journal Article Pages 1-7 DOI 10.1007/s00216-011-5150-9 Authors U. Hochkirch, Institute of Chemistry, Humboldt-Universität zu Berlin, 10117 Berlin, Germany W. Herrmann, Institute of Pharmacy, Free University Berlin, Kelchstr. 31, 12169 Berlin, Germany R. Stößer, Institute of Chemistry, Humboldt-Universität zu Berlin, 10117 Berlin, Germany M. Linscheid, Institute of Chemistry, Humboldt-Universität zu Berlin, 10117 Berlin, Germany H.-H. Borchert, Institute of Pharmacy, Free University Berlin, Kelchstr. 31, 12169 Berlin, Germany Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Fine needle aspirates (FNAs) of suspicious breast lesions are often used to aid the diagnosis of female breast cancer. Biospectroscopy tools facilitate the acquisition of a biochemical cell fingerprint representative of chemical bonds present in a biological sample. The mid-infrared (IR; 4,000–400 cm −1 ) is absorbed by the chemical bonds present, allowing one to derive an absorbance spectrum. Complementary to IR spectroscopy, Raman spectroscopy measures the scattering by chemical bonds following excitation by a laser to generate an intensity spectrum. Our objective was to apply these methods to determine whether a biospectroscopy approach could objectively segregate different categories of FNAs. FNAs of breast tissue were collected ( n  = 48) in a preservative solution and graded into categories by a cytologist as C1 (non-diagnostic), C2 (benign), C3 (suspicious, probably benign) or C5 (malignant) [or C4 (suspicious, probably malignant); no samples falling within this category were identified during the collection period of the study]. Following washing, the cellular material was transferred onto BaF 2 (IR-transparent) slides for interrogation by Raman or Fourier-transform IR (FTIR) microspectroscopy. In some cases where sufficient material was obtained, this was transferred to low-E (IR-reflective) glass slides for attenuated total reflection–FTIR spectroscopy. The spectral datasets produced from these techniques required multivariate analysis for data handling. Principal component analysis followed by linear discriminant analysis was performed independently on each of the spectral datasets for only C2, C3 and C5. The resulting scores plots revealed a marked overlap of C2 with C3 and C5, although the latter pair were both significantly segregated ( P  〈 0.001) in the Raman spectra. Good separation was observed between C3 and C5 in all three spectral datasets. Analysis performed on the average spectra showed the presence of three distinct cytological groups. Our findings suggest that biospectroscopy tools coupled with multivariate analysis may support the current FNA tests whilst increasing the sensitivity and associated reliability for improved diagnostics. Figure  Average IR spectra derived from different categories of FNA specimens Content Type Journal Article Pages 1-11 DOI 10.1007/s00216-011-5137-6 Authors Jemma G. Kelly, Centre for Biophotonics, Lancaster Environment Centre, Lancaster University, Bailrigg, Lancaster, LA1 4YQ UK Abdullah A. Ahmadzai, Centre for Biophotonics, Lancaster Environment Centre, Lancaster University, Bailrigg, Lancaster, LA1 4YQ UK Paul Hermansen, Lancashire Teaching Hospitals NHS Trust, Sharoe Green Lane, Fulwood, Preston, PR2 9HT UK Mark A. Pitt, Lancashire Teaching Hospitals NHS Trust, Sharoe Green Lane, Fulwood, Preston, PR2 9HT UK Zuhair Saidan, Lancashire Teaching Hospitals NHS Trust, Sharoe Green Lane, Fulwood, Preston, PR2 9HT UK Pierre L. Martin-Hirsch, Lancashire Teaching Hospitals NHS Trust, Sharoe Green Lane, Fulwood, Preston, PR2 9HT UK Francis L. Martin, Centre for Biophotonics, Lancaster Environment Centre, Lancaster University, Bailrigg, Lancaster, LA1 4YQ UK Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    A new resistance-type sensor based on Prussian blue film has been fabricated for the detection of chlorobenzene vapor. The effect of Prussian blue preparation conditions on the response of sensor was studied. The sensor exhibited good response and selectivity to chlorobenzene vapor. The sensor prepared with Fe 2 (SO 4 ) 3 at 298 K has response 8.5 at operating voltage of 10 V. The selectivity of the sensor to chlorobenzene against all other tested gases is exceeding almost by 5.6 times. The sensor showed linear response to chlorobenzene vapor in the concentration range of 24–169 ppm at room temperature and at a 10 V operating voltage. The response and recovery time of the sensor was about 18 and 12 s, respectively. Sensor stability test indicated the sensor had a good stability. Furthermore, seven real samples of chlorobenzene vapor was measured using the sensor. The relative error was in the range of about ±1.3%. Figure  Response to different gases of the sensor based on Prussian blue prepared with Fe 2 (SO 4 ) 3 at 298 K Content Type Journal Article Pages 1-6 DOI 10.1007/s00216-011-5143-8 Authors Tiexiang Fu, Department of Chemistry, Changsha University of Science and Technology, Wanjiali Road, Changsha, 410004 Hunan, China Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    This paper presents the implementation of a Geospatial approach for improving the Municipal Solid Waste (MSW) disposal suitability site assessment in growing urban environment. The increasing trend of population growth and the absolute amounts of waste disposed of worldwide have increased substantially reflecting changes in consumption patterns, consequently worldwide. MSW is now a bigger problem than ever. Despite an increase in alternative techniques for disposing of waste, land-filling remains the primary means. In this context, the pressures and requirements placed on decision makers dealing with land-filling by government and society have increased, as they now have to make decisions taking into considerations environmental safety and economic practicality. The waste disposed by the municipal corporation in the Bhagalpur City (India) is thought to be different from the landfill waste where clearly scientific criterion for locating suitable disposal sites does not seem to exist. The location of disposal sites of Bhagalpur City represents the unconsciousness about the environmental and public health hazards arising from disposing of waste in improper location. Concerning about urban environment and health aspects of people, a good method of waste management and appropriate technologies needed for urban area of Bhagalpur city to improve this trend using Multi Criteria Geographical Information System and Remote Sensing for selection of suitable disposal sites. The purpose of GIS was to perform process to part restricted to highly suitable land followed by using chosen criteria. GIS modeling with overlay operation has been used to find the suitability site for MSW. Content Type Journal Article Pages 1-13 DOI 10.1007/s10661-011-2127-2 Authors Prem Chandra Pandey, Department of Remote Sensing, Birla Institute of Technology, Mesra, 835215 Ranchi, India Laxmi Kant Sharma, Department of Remote Sensing, Birla Institute of Technology, Mesra, 835215 Ranchi, India Mahendra Singh Nathawat, Department of Remote Sensing, Birla Institute of Technology, Mesra, 835215 Ranchi, India Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    The Floristic Quality Index (FQI) has been used as a tool for assessing the integrity of plant communities and for assessing restoration projects in many regions of the USA. Here, we develop a modified FQI (FQI mod ) for coastal Louisiana wetlands and verify it using 12 years of monitoring data from a coastal restoration project. Plant species that occur in coastal Louisiana were assigned a coefficient of conservatism (CC) score by a local group with expertise in Louisiana coastal vegetation. Species percent cover and both native and non-native species were included in the FQI mod which was scaled from 0–100. The FQI mod scores from the long-term monitoring project demonstrated the utility of this index for assessing wetland condition over time, including its sensitivity to a hurricane. Ultimately, the FQI developed for coastal Louisiana will be used in conjunction with other wetland indices (e.g., hydrology and soils) to assess wetland condition coastwide and these indices will aid managers in coastal restoration and management decisions. Content Type Journal Article Pages 1-15 DOI 10.1007/s10661-011-2125-4 Authors Kari F. Cretini, National Wetlands Research Center, Coastal Restoration Assessment Branch, U.S. Geological Survey, Baton Rouge, LA 70803, USA Jenneke M. Visser, Department of Renewable Resources and Institute for Coastal Ecology and Engineering, University of Louisiana Lafayette, Lafayette, LA 70506, USA Ken W. Krauss, National Wetlands Research Center, U.S. Geological Survey, Lafayette, LA 70506, USA Gregory D. Steyer, National Wetlands Research Center, Coastal Restoration Assessment Branch, U.S. Geological Survey, Baton Rouge, LA 70803, USA Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    Heavy metals are dangerous to aquatic organisms and it can be bioaccumulated in the food chain leading to diseases in human. Cumulative effects of metals or chronic poisoning may occur as a result of long-term exposure even to low concentrations. The accumulation of heavy metals varies depending upon the species, environmental conditions, and inhibitory processes. Concentrations of zinc, copper, lead, and cadmium were determined in finfish and shellfish species in the Gangetic delta using a PerkinElmer Sciex ELAN 5000 ICP mass spectrometer and expressed as milligrams per kilogram of dry weight. In finfish and shellfish species the concentrations of Zn, Cu, Pb, and Cd were comparatively higher at stations 1 and 2 than the permissible level of WHO. The concentration of metals exhibited significant spatial variation and followed the order station 1 〉 station 2 〉 station 3 〉 station 4, which may be related to different degree of contamination in different location. The metal accumulation exhibited species specificity. Content Type Journal Article Pages 1-12 DOI 10.1007/s10661-011-2111-x Authors Abhijit Mitra, Department of Marine Science, University of Calcutta, 35. B.C. Road, Kolkata, 700 019 India Ranju Chowdhury, Department of Marine Science, University of Calcutta, 35. B.C. Road, Kolkata, 700 019 India Kakoli Banerjee, Department of Marine Science, University of Calcutta, 35. B.C. Road, Kolkata, 700 019 India Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    Environmental genotoxicity and cytotoxicity effects in the gills of mussels Mytilus edulis , from the Baltic Sea areas close to the Būtingė oil terminal (Lithuania) before and after accidental oil spill in 31 January 2008 were studied. Mussels from the oil spillage zones were collected in 12 days, in 3 and 6 months after the spill to determine the effects of the spill. Mussels sampled in 2006–2007 were used for the assessment of the background levels of genotoxicity and cytotoxicity in the Būtingė oil terminal area. Comparison of the responses in M. edulis before and after the oil spill revealed significant elevation of frequencies of micronuclei (MN), nuclear buds (NB) and fragmented-apoptotic (FA) cells. Environmental genotoxicity and cytotoxicity levels in mussels from the Palanga site before the accident (in June 2007) served as a reference. Six months after the accident, in July 2008, 5.6-fold increase of MN, 2.9-fold elevation of NB, and 8.8-fold elevation of FA cells were observed in mussels from the same site. Content Type Journal Article Pages 1-12 DOI 10.1007/s10661-011-2100-0 Authors Janina Baršienė, Institute of Ecology of Nature Research Centre, Akademijos str. 2, 08412 Vilnius, Lithuania Aleksandras Rybakovas, Institute of Ecology of Nature Research Centre, Akademijos str. 2, 08412 Vilnius, Lithuania Galina Garnaga, Center of Marine Research, Taikos av. 26, 91149 Klaipėda, Lithuania Laura Andreikėnaitė, Institute of Ecology of Nature Research Centre, Akademijos str. 2, 08412 Vilnius, Lithuania Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    Egyptian blue has been identified in a painting from 1524 by the Italian artist Ortolano Ferrarese (Giovanni Battista Benvenuto). Egyptian blue is the oldest known synthetic pigment, invented by the Egyptians in the fourth dynasty (2613–2494  bc ) of the Old Kingdom and extensively used throughout Antiquity. From about 1000  a.d ., it disappeared from the historical record and was only reinvented in the late nineteenth and early twentieth century. The discovery of Egyptian blue in Ortolano Ferrarese’s painting from 1524 shows that Egyptian blue was in fact available in the period from which it is normally considered not to exist. The identification of Egyptian blue is based on optical microscopy supported by energy-dispersive spectroscopy and visual light photon-induced spectroscopy, and finally confirmed by Raman microspectroscopy. Figure  St. Margaret by Giovanni Batista Benvenuto. National Gallery of Denmark. Content Type Journal Article Pages 1-7 DOI 10.1007/s00216-011-5140-y Authors Jørn Bredal-Jørgensen, School of Conservation, Esplanaden 34, 1263 Copenhagen K, Denmark Jana Sanyova, Laboratories of IRPA/KIK, Parc du Cinquantenaire, 1, 1000 Brussels, Belgium Vibeke Rask, School of Conservation, Esplanaden 34, 1263 Copenhagen K, Denmark Maria Louise Sargent, Ny Carlsberg Glyptotek, Dantes Plads 7, 1556 Copenhagen V, Denmark Rikke Hoberg Therkildsen, Ny Carlsberg Glyptotek, Dantes Plads 7, 1556 Copenhagen V, Denmark Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    A simple, sensitive and reliable HPLC-FLD method for the routine determination of 4-nonylphenol, 4-NP and 4- tert -octylphenol, 4- t -OP content in water samples was developed. The method consists in a liquid–liquid extraction of the target analytes with dichloromethane at pH  3.0–3.5 followed by the HPLC-FLD analysis of the organic extract using a Zorbax Eclipse XDB C8 column, isocratic elution with a mixed solvent acetonitrile/water 65:35, at a flow rate of 1.0 mL/min and applying a column temperature of 40°C. The method was validated and then applied with good results for the determination of 4-NP and 4- t -OP in Ialomiţa River water samples collected each month during 2006. The concentration levels of 4-NP and 4- t -OP vary between 0.08–0.17 μg/L with higher values of 0.24–0.37 μg/L in the summer months for 4-NP, and frequently 〈0.05 μg/L but also between 0.06–0.09 μg/L with higher values of 0.12–0.16 μg/L in July and August for 4- t -OP and were strongly influenced by sesonial and anthropic factors. The method was also applied on samples collected over 2 years 2007 and 2008 from urban wastewaters discharged into sewage or directly into the rivers by economic agents located in 30 Romanian towns. Good results were obtained when the method was used for analysis of effluents discharged into surface waters by 16 municipal wastewater treatment plants, during the year 2008. Content Type Journal Article Pages 1-13 DOI 10.1007/s10661-011-2151-2 Authors Ioana Cruceru, Faculty of Chemistry, University of Bucharest, 2-14 Blvd Regina Elisabeta, 030018 Bucharest, Romania Vasile Iancu, National Research and Development Institute for Industrial Ecology-ECOIND, 90-92 Sos. Panduri, 050663 Bucharest, Romania Jana Petre, National Research and Development Institute for Industrial Ecology-ECOIND, 90-92 Sos. Panduri, 050663 Bucharest, Romania Irinel Adriana Badea, Faculty of Chemistry, University of Bucharest, 2-14 Blvd Regina Elisabeta, 030018 Bucharest, Romania Luminita Vladescu, Faculty of Chemistry, University of Bucharest, 2-14 Blvd Regina Elisabeta, 030018 Bucharest, Romania Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    Chlorophyll a fluorescence has been extensively studied over the last few years. As demonstrated, this phenomenon is closely related to the state of photosystem II, which plays a leading role in the photosynthetic process, and therefore it has become a powerful tool to investigate this complex and any damage occurring in it as a result of physical or chemical stresses. This means that by using photosynthetic organisms as biological probes, one can consider chlorophyll a fluorescence as one of the techniques of choice to reveal the presence of some hazardous toxicants widely spread in the environment. Herbicides, pesticides, and heavy metals, whose concentration in water and food products is generally subject to extremely severe restrictions, are a concrete example of compounds detectable by chlorophyll a fluorescence. These dangerous substances react with the photosystem II, modifying the fluorescence emitted and giving responses which vary in a concentration-dependent manner. The possibility of performing easy, fast, and direct measurements of the fluorescence, even under light conditions, has opened new frontiers for the analysis in situ of pollutants. The aim of this review is to give an overview of the different techniques based on chlorophyll a fluorescence spectrometry, focusing in particular on those which represented the starting point for applications addressed to the assessment of toxic compounds in environmental samples. Content Type Journal Article Pages 1-13 DOI 10.1007/s00216-011-5166-1 Authors K. Buonasera, National Research Council (CNR), Institute of Crystallography, Rome I Research Area, Via Salaria Km 29, 300, 00015 Monterontodo Scalo, Rome, Italy M. Lambreva, National Research Council (CNR), Institute of Crystallography, Rome I Research Area, Via Salaria Km 29, 300, 00015 Monterontodo Scalo, Rome, Italy G. Rea, National Research Council (CNR), Institute of Crystallography, Rome I Research Area, Via Salaria Km 29, 300, 00015 Monterontodo Scalo, Rome, Italy E. Touloupakis, National Research Council (CNR), Institute of Crystallography, Rome I Research Area, Via Salaria Km 29, 300, 00015 Monterontodo Scalo, Rome, Italy M. T. Giardi, National Research Council (CNR), Institute of Crystallography, Rome I Research Area, Via Salaria Km 29, 300, 00015 Monterontodo Scalo, Rome, Italy Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Because of the emergence of dried blood spots (DBS) as an attractive alternative to conventional venous plasma sampling in many pharmaceutical companies and clinical laboratories, different analytical approaches have been developed to enable automated handling of DBS samples without any pretreatment. Associated with selective and sensitive MS–MS detection, these procedures give good results in the rapid identification and quantification of drugs (generally less than 3 min total run time), which is desirable because of the high throughput requirements of analytical laboratories. The objective of this review is to describe the analytical concepts of current direct DBS techniques and to present their advantages and disadvantages, with particular focus on automation capacity and commercial availability. Finally, an overview of the different biomedical applications in which these concepts could be of major interest will be presented. Figure  Direct analysis of dried blood spots Content Type Journal Article Pages 1-14 DOI 10.1007/s00216-011-5161-6 Authors Julien Déglon, Unit of Toxicology, CURML, 1 rue Michel-Servet, 1211 Geneva 4, Switzerland Aurélien Thomas, Unit of Toxicology, CURML, 1 rue Michel-Servet, 1211 Geneva 4, Switzerland Patrice Mangin, Unit of Toxicology, CURML, 1 rue Michel-Servet, 1211 Geneva 4, Switzerland Christian Staub, Unit of Toxicology, CURML, 1 rue Michel-Servet, 1211 Geneva 4, Switzerland Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description: Perry G. Wang (Ed.): Monolithic chromatography and its modern applications Content Type Journal Article Pages 1-2 DOI 10.1007/s00216-011-5175-0 Authors Frantisek Svec, Lawrence Berkeley National Laboratory, The Molecular Foundry, Mailstop 67R6110, Berkeley, CA 94720, USA Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    There is currently a renewed focus aimed at understanding allosteric mechanisms at atomic resolution. This current interest seeks to understand how both changes in protein conformations and changes in protein dynamics contribute to relaying an allosteric signal between two ligand binding sites on a protein (e.g., active and allosteric sites). Both nuclear magnetic resonance (NMR), by monitoring protein dynamics directly, and hydrogen/deuterium exchange, by monitoring solvent accessibility of backbone amides, offer insights into protein dynamics. Unfortunately, many allosteric proteins exceed the size limitations of standard NMR techniques. Although hydrogen/deuterium exchange as detected by mass spectrometry (H/DX-MS) offers an alternative evaluation method, any application of hydrogen/deuterium exchange requires that the property being measured functions in both H 2 O and D 2 O. Due to the promising future H/DX-MS has in the evaluation of allosteric mechanisms in large proteins, we demonstrate an evaluation of allosteric regulation in D 2 O. Exemplified using phenylalanine inhibition of rabbit muscle pyruvate kinase, we find that binding of the inhibitor is greatly reduced in D 2 O, but the effector continues to elicit an allosteric response. Figure  Determining allosteric coupling in H 2 O vs D 2 O. K app-Phe as a function of the concentration of PEP Content Type Journal Article Pages 1-4 DOI 10.1007/s00216-011-5133-x Authors Charulata B. Prasannan, Department of Biochemistry and Molecular Biology, The University of Kansas Medical Center, MS 3030, 3901 Rainbow Boulevard, Kansas City, KS 66160, USA Antonio Artigues, Department of Biochemistry and Molecular Biology, The University of Kansas Medical Center, MS 3030, 3901 Rainbow Boulevard, Kansas City, KS 66160, USA Aron W. Fenton, Department of Biochemistry and Molecular Biology, The University of Kansas Medical Center, MS 3030, 3901 Rainbow Boulevard, Kansas City, KS 66160, USA Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    We describe a fast and robust ultra performance liquid chromatography tandem mass spectrometry method for the quantification of phospholipid (PL) species in EDTA-plasma samples. We quantified total phosphatidylcholine (PC), phosphatidylethanolamine (PE), lysophosphatidylcholine (LPC), and sphingomyelin (SM) and several species within these classes using one or two external calibrators and one internal standard for each class. Inter-assay coefficients of variation were 〈10% for the most abundant species and 〈20% for all quantified PC, LPC, and SM species and the three most abundant PE species. Coefficients of linear regression were R 2  〉 0.98. Mean recoveries were between 83% and 123%. The limits of detection were 0.37 μmol/L for PC, 4.02 μmol/L for LPC, 3.75 μmol/L for PE, and 0.86 μmol/L for SM. Quantification was linear over the physiological ranges for PE, LPC, and SM and up to 500 μmol/L for PC. The concentrations of PLs in the plasma of healthy donors yielded results that were comparable with those of previous works. Content Type Journal Article Pages 1-9 DOI 10.1007/s00216-011-5154-5 Authors Yannick Rabagny, Department of Clinical Chemistry and Laboratory Medicine, University Hospital of Saarland, Building 57, 66421 Homburg/Saar, Germany Wolfgang Herrmann, Department of Clinical Chemistry and Laboratory Medicine, University Hospital of Saarland, Building 57, 66421 Homburg/Saar, Germany Jürgen Geisel, Department of Clinical Chemistry and Laboratory Medicine, University Hospital of Saarland, Building 57, 66421 Homburg/Saar, Germany Susanne H. Kirsch, Department of Clinical Chemistry and Laboratory Medicine, University Hospital of Saarland, Building 57, 66421 Homburg/Saar, Germany Rima Obeid, Department of Clinical Chemistry and Laboratory Medicine, University Hospital of Saarland, Building 57, 66421 Homburg/Saar, Germany Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    A simple wipe sampling procedure was developed for the surface contamination determination of ten cytotoxic drugs: cytarabine, gemcitabine, methotrexate, etoposide phosphate, cyclophosphamide, ifosfamide, irinotecan, doxorubicin, epirubicin and vincristine. Wiping was performed using Whatman filter paper on different surfaces such as stainless steel, polypropylene, polystyrol, glass, latex gloves, computer mouse and coated paperboard. Wiping and desorption procedures were investigated: The same solution containing 20% acetonitrile and 0.1% formic acid in water gave the best results. After ultrasonic desorption and then centrifugation, samples were analysed by a validated liquid chromatography coupled to tandem mass spectrometry (LC–MS/MS) in selected reaction monitoring mode. The whole analytical strategy from wipe sampling to LC–MS/MS analysis was evaluated to determine quantitative performance. The lowest limit of quantification of 10 ng per wiping sample (i.e. 0.1 ng cm −2 ) was determined for the ten investigated cytotoxic drugs. Relative standard deviation for intermediate precision was always inferior to 20%. As recovery was dependent on the tested surface for each drug, a correction factor was determined and applied for real samples. The method was then successfully applied at the cytotoxic production unit of the Geneva University Hospitals pharmacy. Figure  Wipe sampling procedure for the determination of cytotoxic drugs Content Type Journal Article Pages 1-11 DOI 10.1007/s00216-011-5157-2 Authors Susanne Nussbaumer, Pharmacy, Geneva University Hospitals (HUG), 1211 Geneva 14, Switzerland Laurent Geiser, Swiss Centre for Applied Human Toxicology, 1211 Geneva 4, Switzerland Farshid Sadeghipour, Pharmacy, Geneva University Hospitals (HUG), 1211 Geneva 14, Switzerland Denis Hochstrasser, School of Pharmaceutical Sciences, University of Geneva, University of Lausanne,, 1211 Geneva 4, Switzerland Pascal Bonnabry, Pharmacy, Geneva University Hospitals (HUG), 1211 Geneva 14, Switzerland Jean-Luc Veuthey, School of Pharmaceutical Sciences, University of Geneva, University of Lausanne,, 1211 Geneva 4, Switzerland Sandrine Fleury-Souverain, Pharmacy, Geneva University Hospitals (HUG), 1211 Geneva 14, Switzerland Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Separation of inspiratory, mixed expired and alveolar air is indispensable for reliable analysis of VOC breath biomarkers. Time resolution of direct mass spectrometers often is not sufficient to reliably resolve the phases of a breathing cycle. To realise fast on-line breath monitoring by means of direct MS utilising low-fragmentation soft ionisation, a data processing algorithm was developed to identify inspiratory and alveolar phases from MS data without any additional equipment. To test the algorithm selected breath biomarkers (acetone, isoprene, acetaldehyde and hexanal) were determined by means of quadrupole proton transfer reaction mass spectrometry (PTR-MS) in seven healthy volunteers during exercise on a stationary bicycle. The results were compared to an off-line reference method consisting of controlled alveolar breath sampling in Tedlar® bags, preconcentration by solid-phase micro extraction (SPME), separation and identification by GC-MS. Based on the data processing method, quantitative attribution of biomarkers to inspiratory, alveolar and mixed expiratory phases was possible at any time during the experiment, even under respiratory rates up to 60/min. Alveolar concentrations of the breath markers, measured by PTR-MS ranged from 130 to 2,600 ppb (acetone), 10 to 540 ppb (isoprene), 2 to 31 ppb (acetaldehyde), whereas the concentrations of hexanal were always below the limit of detection (LOD) of 3 ppb. There was good correlation between on-line PTR-MS and SPME-GC-MS measurements during phases with stable physiological parameters but results diverged during rapid changes of heart rate and minute ventilation. This clearly demonstrates the benefits of breath-resolved MS for fast on-line monitoring of exhaled VOCs. Figure  Experimental setup showing bicycle ergometer and analytical pathways: Right side PTR-MS: identification of respiratory phases by means of the new algorithm. Left side: confirmation of PTR-MS data for exhaled isoprene by means of GC-MS analysis Content Type Journal Article Pages 1-13 DOI 10.1007/s00216-011-5173-2 Authors Henny Schwoebel, Department of Anaesthesia and Intensive Care Medicine, University of Rostock, Schillingallee 70, 18057 Rostock, Germany Roland Schubert, Department of Anaesthesia and Intensive Care Medicine, University of Rostock, Schillingallee 70, 18057 Rostock, Germany Martin Sklorz, Joint Mass Spectrometry Centre, Chair of Analytical Chemistry, University of Rostock, Dr. Lorenz Weg 1, 18059 Rostock, Germany Sabine Kischkel, Department of Anaesthesia and Intensive Care Medicine, University of Rostock, Schillingallee 70, 18057 Rostock, Germany Ralf Zimmermann, Joint Mass Spectrometry Centre, Chair of Analytical Chemistry, University of Rostock, Dr. Lorenz Weg 1, 18059 Rostock, Germany Jochen K. Schubert, Department of Anaesthesia and Intensive Care Medicine, University of Rostock, Schillingallee 70, 18057 Rostock, Germany Wolfram Miekisch, Department of Anaesthesia and Intensive Care Medicine, University of Rostock, Schillingallee 70, 18057 Rostock, Germany Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    A new prototype based on a microsecond pulsed glow discharge ion source coupled to a time-of-flight mass spectrometer was recently designed, constructed and analytically evaluated in our laboratory for simultaneous collection of elemental and molecular information, and as a gas-chromatographic detector of compounds of environmental concern. To investigate further the analytical capabilities of such a new setup, its capability for the determination of element ratios in volatile organic halogenated compounds has been explored. Moreover, compound-independent calibration has been carried out with the prototype as well. The results demonstrated that the intensity ratios (analyte to internal standard) were linear with the corresponding ratio of concentrations. Both for chlorine and bromine (measured in the prepeak) and for BrC (measured in the plateau) the slope was 1 and the intercept was 0. Moreover, detection limits were improved by more than 1 order of magnitude as compared with using external calibration. The applicability of the proposed approach has been demonstrated for the straightforward determination of chloroform in drinking and river waters. Figure  The ability of a new GC-μsGD-MS(TOF) prototype for the determination of elemental ratios and compound-independent calibration of organic analytes has been successfully evaluated Content Type Journal Article Pages 1-7 DOI 10.1007/s00216-011-5145-6 Authors Auristela Solà-Vázquez, Department of Physical and Analytical Chemistry, Faculty of Chemistry, University of Oviedo, c/Julián Clavería 8, 33006 Oviedo, Spain José M. Costa-Fernández, Department of Physical and Analytical Chemistry, Faculty of Chemistry, University of Oviedo, c/Julián Clavería 8, 33006 Oviedo, Spain Rosario Pereiro, Department of Physical and Analytical Chemistry, Faculty of Chemistry, University of Oviedo, c/Julián Clavería 8, 33006 Oviedo, Spain Alfredo Sanz-Medel, Department of Physical and Analytical Chemistry, Faculty of Chemistry, University of Oviedo, c/Julián Clavería 8, 33006 Oviedo, Spain Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    An ultra-high-performance liquid chromatography–electrospray ionization–tandem mass spectrometry method for the direct analysis in oral fluid (OF) of several abused drugs and metabolites in a single chromatographic run was set up and validated. Amphetamine, methamphetamine, morphine, O -6-monoacetylmorphine, cocaine, codeine, methylenedioxymethamphetamine (MDMA), methylenedioxyethylamphetamine, methylenedioxyamphetamine, methadone, benzoylecgonine (BEG), Δ9-tetrahydrocannabinol (THC), ketamine, and cocaethylene were determined in a single chromatographic run with no sample pretreatment, after addition of the respective deuterated internal standards. The method was designed to perform a confirmation analysis on the residual OF samples after the preliminary on-site screening test, and it was applied on preservative buffers from different devices (Mavand Rapidstat, Concateno DDS, and Greiner Bio-One) or on neat OF samples. The method was suitable to be applied to the small amounts of sample available for the confirmatory analysis after the preliminary on-site screening or on undiluted OF samples. Limits of detection varied from 5 (morphine) to 0.2 ng/mL (methamphetamine, MDMA, BEG, and cocaethylene). The method was linear for all the substances involved, giving quadratic correlation coefficients of 〉0.99 in all the different preservative buffers checked. In addition, repeatability and accuracy were satisfactory for the majority of the substances, except for a few cases. The developed method was subsequently applied to 466 residual samples from on-site screening performed by police officers. Of these samples, 74 showed the presence of cocaine and metabolites; THC was detected in 49 samples. Two samples showed codeine and morphine while MDMA was detected in 11 samples and ketamine in four samples. Content Type Journal Article Pages 1-16 DOI 10.1007/s00216-011-5108-y Authors Sabina Strano-Rossi, Institute of Legal Medicine, Università Cattolica del Sacro Cuore, L.go F. Vito 1, 00168 Rome, Italy Luca Anzillotti, Institute of Legal Medicine, Università Cattolica del Sacro Cuore, L.go F. Vito 1, 00168 Rome, Italy Erika Castrignanò, Institute of Legal Medicine, Università Cattolica del Sacro Cuore, L.go F. Vito 1, 00168 Rome, Italy Marialinda Felli, Institute of Legal Medicine, Università Cattolica del Sacro Cuore, L.go F. Vito 1, 00168 Rome, Italy Giovanni Serpelloni, Department of Antidrug Policies, Presidency of the Council of Ministers, Via Po 16/A, 00198 Rome, Italy Roberto Mollica, Department of Antidrug Policies, Presidency of the Council of Ministers, Via Po 16/A, 00198 Rome, Italy Marcello Chiarotti, Institute of Legal Medicine, Università Cattolica del Sacro Cuore, L.go F. Vito 1, 00168 Rome, Italy Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Chemometric analysis of a set of one-dimensional (1D) 1 H nuclear magnetic resonance (NMR) spectral data for heparin sodium active pharmaceutical ingredient (API) samples was employed to distinguish USP-grade heparin samples from those containing oversulfated chondroitin sulfate (OSCS) contaminant and/or unacceptable levels of dermatan sulfate (DS) impurity. Three chemometric pattern recognition approaches were implemented: classification and regression tree (CART), artificial neural network (ANN), and support vector machine (SVM). Heparin sodium samples from various manufacturers were analyzed in 2008 and 2009 by 1D 1 H NMR, strong anion-exchange high-performance liquid chromatography, and percent galactosamine in total hexosamine tests. Based on these data, the samples were divided into three groups: Heparin , DS ≤ 1.0% and OSCS = 0%; DS , DS 〉 1.0% and OSCS = 0%; and OSCS , OSCS 〉 0% with any content of DS. Three data sets corresponding to different chemical shift regions (1.95–2.20, 3.10–5.70, and 1.95–5.70 ppm) were evaluated. While all three chemometric approaches were able to effectively model the data in the 1.95–2.20 ppm region, SVM was found to substantially outperform CART and ANN for data in the 3.10–5.70 ppm region in terms of classification success rate. A 100% prediction rate was frequently achieved for discrimination between heparin and OSCS samples. The majority of classification errors between heparin and DS involved cases where the DS content was close to the 1.0% DS borderline between the two classes. When these borderline samples were removed, nearly perfect classification results were attained. Satisfactory results were achieved when the resulting models were challenged by test samples containing blends of heparin APIs spiked with non-, partially, or fully oversulfated chondroitin sulfate A, heparan sulfate, or DS at the 1.0%, 5.0%, and 10.0% ( w / w ) levels. This study demonstrated that the combination of 1D 1 H NMR spectroscopy with multivariate chemometric methods is a nonsubjective, statistics-based approach for heparin quality control and purity assessment that, once standardized, minimizes the need for expert analysts. Figure  Contour plot from grid search of the optimal values of γ and C for the SVM model Content Type Journal Article Pages 1-17 DOI 10.1007/s00216-011-5155-4 Authors Qingda Zang, Department of Pharmacology, Robert Wood Johnson Medical School, University of Medicine and Dentistry of New Jersey, Piscataway, NJ 08854, USA David A. Keire, Division of Pharmaceutical Analysis, Food and Drug Administration, CDER, St. Louis, MO 63101, USA Lucinda F. Buhse, Division of Pharmaceutical Analysis, Food and Drug Administration, CDER, St. Louis, MO 63101, USA Richard D. Wood, Snowdon, Inc., 1 Deer Park Drive, Suite H-3, Monmouth Junction, NJ 08852, USA Dinesh P. Mital, Department of Health Informatics, School of Health Related Professions, University of Medicine and Dentistry of New Jersey, Newark, NJ 07107, USA Syed Haque, Department of Health Informatics, School of Health Related Professions, University of Medicine and Dentistry of New Jersey, Newark, NJ 07107, USA Shankar Srinivasan, Department of Health Informatics, School of Health Related Professions, University of Medicine and Dentistry of New Jersey, Newark, NJ 07107, USA Christine M. V. Moore, Office of New Drug Quality Assessment, Food and Drug Administration, CDER, Silver Spring, MD 20993, USA Moheb Nasr, Office of New Drug Quality Assessment, Food and Drug Administration, CDER, Silver Spring, MD 20993, USA Ali Al-Hakim, Office of New Drug Quality Assessment, Food and Drug Administration, CDER, Silver Spring, MD 20993, USA Michael L. Trehy, Division of Pharmaceutical Analysis, Food and Drug Administration, CDER, St. Louis, MO 63101, USA William J. Welsh, Department of Pharmacology, Robert Wood Johnson Medical School, University of Medicine and Dentistry of New Jersey, Piscataway, NJ 08854, USA Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    In the field of inhalation toxicology, progress in the development of in vitro methods and efficient exposure strategies now offers the implementation of cellular-based systems. These can be used to analyze the hazardous potency of airborne substances like gases, particles, and complex mixtures (combustion products). In addition, the regulatory authorities require the integration of such approaches to reduce or replace animal experiments. Although the animal experiment currently still has to provide the last proof of the toxicological potency and classification of a certain compound, in vitro testing is gaining more and more importance in toxicological considerations. This paper gives a brief characterization of the CULTEX® Radial Flow System exposure device, which allows the exposure of cultivated cells as well as bacteria under reproducible and stable conditions for studying cellular and genotoxic effects after the exposure at the air–liquid or air–agar interface, respectively. A commercial bronchial epithelial cell line (16HBE14o-) as well as Salmonella typhimurium tester strains were exposed to smoke of different research and commercial available cigarettes. A dose-dependent reduction of cell viability was found in the case of 16HBE14o- cells; S. typhimurium responded with a dose-dependent induction of revertants. The promising results recommend the integration of cellular studies in the field of inhalation toxicology and their regulatory acceptance by advancing appropriate validation studies. Content Type Journal Article Pages 1-8 DOI 10.1007/s00216-011-5163-4 Authors Michaela Aufderheide, CULTEX Laboratories GmbH, Feodor-Lynen-Str. 21, 30625 Hannover, Germany Stefanie Scheffler, CULTEX Laboratories GmbH, Feodor-Lynen-Str. 21, 30625 Hannover, Germany Niklas Möhle, CULTEX Laboratories GmbH, Feodor-Lynen-Str. 21, 30625 Hannover, Germany Beat Halter, Halter Engineering GmbH, Huebstr. 16, 9100 Herisau, Switzerland Dieter Hochrainer, Vor der Hardt 16, 57392 Oberkirchen, Germany Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Historical nomenclature has not always been unequivocally associated with the botanical origin of natural resins. The availability of natural resins has changed throughout the centuries and so have their trade names. Furthermore, adulterations and lack of knowledge have led to variations in the composition of the products traded under the same name. This investigation aims at a new understanding of the interrelation between the historical and modern terms for natural resins. Different Pinaceae and Pistacia resins, mastic, sandarac, copaiba balm and burgundy pitch from Vigani’s Cabinet, a 300-year-old pharmaceutical collection owned by Queens’ College, Cambridge (UK) were investigated. Related reference materials from modern collections were analysed together with natural resins derived from reliable botanical sources. The analytical method was gas chromatography/mass spectrometry (GC-MS) with and without derivatisation with trimethylsulfonium hydroxide. This technique provided detailed molecular compositions of the studied materials, which in turn led to particular data profiles of the materials. Marker molecules of Copaifera , Pinaceae, Cupressaceae and Pistacia resins were identified. By comparing the GC-MS data profiles to the reference samples, a clearer picture of the connection between nomenclature and botanical origin was obtained. With the aid of the marker molecules and data profiles, it was then possible to clarify the nomenclature of the aged resins sampled from Vigani’s Cabinet. Figure  Four drawers from the Vigani Cabinet Content Type Journal Article Pages 1-14 DOI 10.1007/s00216-011-5169-y Authors Gundel Steigenberger, Chemistry and Food Chemistry, Institute for Biochemistry, Technical University Dresden, 01062 Dresden, Germany Christoph Herm, Laboratory of Archaeometry, Academy of Fine Arts Dresden, Güntzstraße 34, 01307 Dresden, Germany Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Seasonal spatial and temporal changes of selected eco-chemical parameters in section of the Danube River flowing through Serbia were analyzed. Data for electrical conductivity (EC), dry and suspended matter, residue on ignition, chemical oxygen demand (COD), biochemical oxygen demand (BOD-5), ultraviolet extinction, dissolved oxygen (DO), oxygen saturation, pH, nitrates, total phosphorus, and nitrogen were collected between 1992 and 2006. The use of monthly medians combined with linear regression and two-sided t test has been proven to be the best approach for resolving trends from natural variability of investigated parameters and for determining trend significance. Patterns of temporal changes between different months were examined. It was also determined that spatial trends of some parameters oscillate in predictable manner, increasing in one part of the year and declining in the other. Regression slope coefficients, an excellent indicator for determining when the water quality is changing the most along the course of the Danube, reach their maximum during summer for temperature ( t ), electric conductivity, nitrates, and total N, while in the same season suspended matter, COD, BOD-5, DO, and oxygen saturation coefficients reach their minimum. Correlations for used data sets of selected parameters were analyzed for better understanding of their behavior and mutual relations. It was observed that as Danube flows through Serbia, its general eco-chemical status either stagnates or improves, but the rate of river self-purification often depends on the season of the year. Content Type Journal Article Pages 1-24 DOI 10.1007/s10661-011-2153-0 Authors Konstantin Ilijević, University of Belgrade - Faculty of Chemistry, Studentski trg 12-16, 11000 Belgrade, Serbia Ivan Gržetić, University of Belgrade - Faculty of Chemistry, Studentski trg 12-16, 11000 Belgrade, Serbia Ivan Živadinović, Srbijavode, Bulevar umetnosti 2, 11070 Novi Beograd, Serbia Aleksandar Popović, University of Belgrade - Faculty of Chemistry, Studentski trg 12-16, 11000 Belgrade, Serbia Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    The concentrations of trace metals (Cu, Zn, Mn, Ni, and Fe) from suspended particulate matter (SPM) and biota in Izmir Bay (Eastern Aegean Sea) were studied in order to evaluate the environmental impact of the anthropogenic metals before building of Wastewater Treatment Plant. SPM samples were collected in wet and dry periods from Izmir Bay. Metal concentrations in SPM (Cu, 0.36–2.19; Mn, 0.07–11.3; Ni, 0.43–7.81; Zn, 7.33–269; Fe, 1.00–266 μgdm  − 3 ) were comparable to those reported for other moderately polluted bays. Maximum metal concentrations in SPM were observed during summer season. SPM metal concentrations displayed a clear spatial trend with values increasing with proximity to urban centers. Cu and Zn concentrations in SPM were especially high in the inner bay. SPM were found to be contaminated by Zn. The vertical profile of Mn, Zn, and Ni concentrations in SPM had a maximal value at the upper layer and decreased to minimal value at the bottom layer of the inner bay in summer, in contrast to the observed pattern of Fe and Cu. Maximum Cu concentrations were obtained in Penaeus kerathurus . Also, maximum Zn and Fe concentrations were found in Mytilus galloprovincialis . Relatively high Cu levels were found in Sardina pilcardus and Mullus barbatus than other fish species. Besides, Cu levels were lower in Diplodus annularis and Merluccius merluccius . Finally, metal levels in biota tissues were lower than the limits of European Dietary Standards and Guidelines. Content Type Journal Article Pages 1-12 DOI 10.1007/s10661-011-2138-z Authors Aynur Kontas, Institute of Marine Sciences & Technology, Dokuz Eylul University, Inciralti, 35340 Izmir, Turkey Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    Dust from haul and transport roads are the major source of air pollution in opencast coal mining areas. Dust generated during mining operations pollutes air which causes different health problems. Various available techniques are implemented in the field to minimize and control dust in mining areas. However, they are not very effective because dust deposited on road surfaces are not removed by these techniques. For effective control of dust in opencast mining areas, it has to be regularly collected from road surfaces and may be converted into solid form, and subsequently can be used as a domestic fuel considering its physicochemical properties. The present paper describes a comparative study of qualitative and quantitative aspects of road dust samples of four coalfields of India. The pH of the dust was found to be in the range of 5.1–7.7. Moisture, ash, volatile matter, fixed carbon, water-holding capacity, bulk density, and specific gravity of dust samples were found to be in the range of 0.5–3.0%, 45–76%, 12.6–20.0%, 10.2–45.3%, 21.17–31.71%, 1.15–1.70, and 1.73–2.30 g cm −3 , respectively. Observing the overall generation and characteristics of coal dust, it is suggested that coal dust from haul and transport roads of mining areas can be effectively collected and used as domestic fuel. Content Type Journal Article Pages 1-15 DOI 10.1007/s10661-011-2197-1 Authors K. Mandal, Central Institute of Mining and Fuel Research, Barwa Road, Dhanbad, 826015 India A. Kumar, Central Institute of Mining and Fuel Research, Barwa Road, Dhanbad, 826015 India N. Tripathi, Central Institute of Mining and Fuel Research, Barwa Road, Dhanbad, 826015 India R. S. Singh, Central Institute of Mining and Fuel Research, Barwa Road, Dhanbad, 826015 India S. K. Chaulya, Central Institute of Mining and Fuel Research, Barwa Road, Dhanbad, 826015 India P. K. Mishra, Central Institute of Mining and Fuel Research, Barwa Road, Dhanbad, 826015 India L. K. Bandyopadhyay, Central Institute of Mining and Fuel Research, Barwa Road, Dhanbad, 826015 India Council of Scientific and Industrial Research Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    The effect of wastewater exposure on scales and chromatophores of freshwater fish Channa punctatus was studied using wastewater dilutions (60–100%) from an international water channel Tung Dhab drain at an interval of 15 and 30 days. The exposed fish showed significant alterations such as uprooted and damaged lepidonts and dispersal of chromatophores. These observations strongly suggest that fish scales can be successfully employed as indicators of wastewater pollution. Content Type Journal Article Pages 1-12 DOI 10.1007/s10661-011-2147-y Authors Rajbir Kaur, Aquatic Biology Laboratory, Department of Zoology, Guru Nanak Dev University Campus, Amritsar, Punjab, India Anish Dua, Aquatic Biology Laboratory, Department of Zoology, Guru Nanak Dev University Campus, Amritsar, Punjab, India Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    Urban wetland parks are a new type of urban park that have developed rapidly in recent years and have caught the attention of multiple governmental departments. The objective of this paper was to describe the trophic states of creeks and their relationship to water levels in an urban wetland park in Xixi, China. The study was based on temporal and spatial data collected monthly between March 2009 and March 2010. The results indicated that: (1) water quality significantly changed from upstream to downstream in study creeks. From upstream to downstream, water quality of creeks I and III improved; however, the water quality of creek IV and V declined; (2) trophic states in Xixi creeks differed according to seasons. Overall, the nutrition in creeks was measured at the slight eutrophication level. Nutrition was highest in summer and lowest in winter; (3) the relationship between water quality and water level differed dramatically between creeks. Water quality and water level in creek I was significantly negatively correlated, while no obvious trends were observed in other creeks. In order to improve water quality in creeks, the valid technique is to strengthen the management of inflowing water quality and then control water levels. Content Type Journal Article Pages 1-9 DOI 10.1007/s10661-011-2128-1 Authors Yufeng Li, Jiangsu Key Laboratory of Environmental Change and Ecological Construction, College of Geographical Science, Nanjing Normal University, 1 Wenyuan Road, Nanjing, 210046 Jiangsu, China Hongyu Liu, Jiangsu Key Laboratory of Environmental Change and Ecological Construction, College of Geographical Science, Nanjing Normal University, 1 Wenyuan Road, Nanjing, 210046 Jiangsu, China Jingfeng Hao, Jiangsu Key Laboratory of Environmental Change and Ecological Construction, College of Geographical Science, Nanjing Normal University, 1 Wenyuan Road, Nanjing, 210046 Jiangsu, China Nan Zheng, Jiangsu Key Laboratory of Environmental Change and Ecological Construction, College of Geographical Science, Nanjing Normal University, 1 Wenyuan Road, Nanjing, 210046 Jiangsu, China Xiao Cao, Jiangsu Key Laboratory of Environmental Change and Ecological Construction, College of Geographical Science, Nanjing Normal University, 1 Wenyuan Road, Nanjing, 210046 Jiangsu, China Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    Nonresponse caused by denied access and hazardous conditions are a concern for the USDA Forest Service, Forest Inventory and Analysis (FIA) program, whose mission is to quantify status and trends in forest resources across the USA. Any appreciable amount of nonresponse can cause bias in FIA’s estimates of population parameters. This paper will quantify the magnitude of nonresponse and describe the mechanisms that result in nonresponse, describe and qualitatively evaluate FIA’s assumptions regarding nonresponse, provide a recommendation concerning plot replacement strategies, and identify appropriate strategies to pursue that minimize bias. The nonresponse rates ranged from 0% to 21% and differed by land owner group; with denied access to private land the leading cause of nonresponse. Current FIA estimators assume that nonresponse occurs at random. Although in most cases this assumption appears tenable, a qualitative assessment indicates a few situations where the assumption is not tenable. In the short-term, we recommend that FIA use stratification schemes that make the missing at random assumption tenable. We recommend the examination of alternative estimation techniques that use appropriate weighting and auxiliary information to mitigate the effects of nonresponse. We recommend the replacement of nonresponse sample locations not be used. Content Type Journal Article Pages 1-11 DOI 10.1007/s10661-011-2051-5 Authors Paul L. Patterson, U.S. Forest Service, Rocky Mountain Research Station, 2150A Centre Ave, Suite 350, Fort Collins, CO 80526, USA John W. Coulston, U.S. Forest Service, Southern Research Station, 4700 Old Kingston Pike, Knoxville, TN 37919, USA Francis A. Roesch, U.S. Forest Service, Southern Research Station, 200 WT Weaver Boulevard, Asheville, NC 28804-3454, USA James A. Westfall, U.S. Forest Service, Northern Research Station, 11 Campus Blvd, Suite 200, Newtown Square, PA 19073, USA Andrew D. Hill, U.S. Forest Service, Northern Research Station, 1992 Folwell Ave, St. Paul, MN 55108, USA Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    Urban areas are continuously expanding today, extending their influence on an increasingly large proportion of woods and trees located in or nearby urban and urbanizing areas, the so-called urban forests. Although these forests have the potential for significantly improving the quality the urban environment and the well-being of the urban population, data to quantify the extent and characteristics of urban forests are still lacking or fragmentary on a large scale. In this regard, an expansion of the domain of multipurpose forest inventories like National Forest Inventories (NFIs) towards urban forests would be required. To this end, it would be convenient to exploit the same sampling scheme applied in NFIs to assess the basic features of urban forests. This paper considers approximately unbiased estimators of abundance and coverage of urban forests, together with estimators of the corresponding variances, which can be achieved from the first phase of most large-scale forest inventories. A simulation study is carried out in order to check the performance of the considered estimators under various situations involving the spatial distribution of the urban forests over the study area. An application is worked out on the data from the Italian NFI. Content Type Journal Article Pages 1-14 DOI 10.1007/s10661-011-2050-6 Authors Piermaria Corona, Dipartimento di Scienze dell’Ambiente Forestale e delle sue Risorse (DISAFRI), Università della Tuscia, via San Camillo de Lellis, s.n.c., 01100 Viterbo, Italy Mariagrazia Agrimi, Dipartimento di Scienze dell’Ambiente Forestale e delle sue Risorse (DISAFRI), Università della Tuscia, via San Camillo de Lellis, s.n.c., 01100 Viterbo, Italy Federica Baffetta, Dipartimento di Economia Politica e Statistica, Università di Siena, P.za S. Francesco 8, 53100 Siena, Italy Anna Barbati, Dipartimento di Scienze dell’Ambiente Forestale e delle sue Risorse (DISAFRI), Università della Tuscia, via San Camillo de Lellis, s.n.c., 01100 Viterbo, Italy Maria Vincenza Chiriacò, Dipartimento di Scienze dell’Ambiente Forestale e delle sue Risorse (DISAFRI), Università della Tuscia, via San Camillo de Lellis, s.n.c., 01100 Viterbo, Italy Lorenzo Fattorini, Dipartimento di Economia Politica e Statistica, Università di Siena, P.za S. Francesco 8, 53100 Siena, Italy Enrico Pompei, Corpo Forestale dello Stato, Inventario Nazionale delle Foreste e dei Serbatoi forestali di Carbonio (CFS-INFC), via Carducci 5, 00187 Rome, Italy Riccardo Valentini, Dipartimento di Scienze dell’Ambiente Forestale e delle sue Risorse (DISAFRI), Università della Tuscia, via San Camillo de Lellis, s.n.c., 01100 Viterbo, Italy Walter Mattioli, Dipartimento di Scienze dell’Ambiente Forestale e delle sue Risorse (DISAFRI), Università della Tuscia, via San Camillo de Lellis, s.n.c., 01100 Viterbo, Italy Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    Air samples were collected in Beijing from June through August 2008, and concentrations of volatile organic compounds (VOCs) in those samples are here discussed. This sampling was performed to increase understanding of the distributions of their compositions, illustrate the overall characteristics of different classes of VOCs, assess the ages of air masses, and apportion sources of VOCs using principal compound analysis/absolute principal component scores (PCA/APCS). During the sampling periods, the relative abundance of the four classes of VOCs as determined by the concentration-based method was different from that determined by the reactivity approach. Alkanes were found to be most abundant (44.3–50.1%) by the concentration-based method, but aromatic compounds were most abundant (38.2–44.5%) by the reactivity approach. Aromatics and alkenes contributed most (73–84%) to the ozone formation potential. Toluene was the most abundant compound (11.8–12.7%) during every sampling period. When the maximum incremental reactivity approach was used, propene, toluene, m,p-xylene, 1-butene, and 1,2,4-trimethylbenzene were the five most abundant compounds during two sampling periods. X/B, T/B, and E/B ratios in this study were lower than those found in other cities, possibly due to the aging of the air mass at this site. Four components were extracted from application of PCA to the data. It was found that the contribution of vehicle exhaust to total VOCs accounted for 53% of VOCs, while emissions due to the solvent use contributed 33% of the total VOCs. Industrial sources contributed 3% and biogenic sources contributed 11%. The results showed that vehicle exhausts (i.e., unburned vehicle emissions + vehicle internal engine combustion) were dominant in VOC emissions during the experimental period. The solvent use made the second most significant contribution to ambient VOCs. Content Type Journal Article Pages 1-11 DOI 10.1007/s10661-011-2086-7 Authors An Jun-lin, Key Laboratory of Meteorological Disaster of Ministry of Education, School of Atmospheric Physics, Nanjing University of Information Science & Technology, Nanjing, 210044, China Wang Yue-si, Institute of Atmospheric Physics, Chinese Academy of Sciences, LAPC, Beijing, 100029 China Wu Fang-kun, Institute of Atmospheric Physics, Chinese Academy of Sciences, LAPC, Beijing, 100029 China Zhu Bin, Key Laboratory of Meteorological Disaster of Ministry of Education, School of Atmospheric Physics, Nanjing University of Information Science & Technology, Nanjing, 210044, China Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    Enteric methane (CH 4 ) emission in ruminants, which is produced via fermentation of feeds in the rumen and lower digestive tract by methanogenic archaea, represents a loss of 2% to 12% of gross energy of feeds and contributes to global greenhouse effects. Globally, about 80 million tonnes of CH 4 is produced annually from enteric fermentation mainly from ruminants. Therefore, CH 4 mitigation strategies in ruminants have focused to obtain economic as well as environmental benefits. Some mitigation options such as chemical inhibitors, defaunation, and ionophores inhibit methanogenesis directly or indirectly in the rumen, but they have not confirmed consistent effects for practical use. A variety of nutritional amendments such as increasing the amount of grains, inclusion of some leguminous forages containing condensed tannins and ionophore compounds in diets, supplementation of low-quality roughages with protein and readily fermentable carbohydrates, and addition of fats show promise for CH 4 mitigation. These nutritional amendments also increase the efficiency of feed utilization and, therefore, are most likely to be adopted by farmers. Several new potential technologies such as use of plant secondary metabolites, probiotics and propionate enhancers, stimulation of acetogens, immunization, CH 4 oxidation by methylotrophs, and genetic selection of low CH 4 -producing animals have emerged to decrease CH 4 production, but these require extensive research before they can be recommended to livestock producers. The use of bacteriocins, bacteriophages, and development of recombinant vaccines targeting archaeal-specific genes and cell surface proteins may be areas worthy of investigation for CH 4 mitigation as well. A combination of different CH 4 mitigation strategies should be adopted in farm levels to substantially decrease methane emission from ruminants. Evidently, comprehensive research is needed to explore proven and reliable CH 4 mitigation technologies that would be practically feasible and economically viable while improving ruminant production. Content Type Journal Article Pages 1-24 DOI 10.1007/s10661-011-2090-y Authors Amlan Kumar Patra, Department of Animal Nutrition, West Bengal University of Animal and Fishery Sciences, 37, K. B. Sarani, Belgachia, Kolkata, 700037 India Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    Polycyclic aromatic hydrocarbons (PAHs) partitioning among dissolved phase, suspended particulate matter, pore water, and sediment was studied in one moderately contaminated river (Yongding New River) and two highly contaminated drainage canals (South Drainage Canal and North Drainage Canal) of Tianjin, China. PAHs concentrations in sediment (ranged from 0.2 to 195 μg/g) showed positive relations with both total organic carbon contents (ranged from 0.7% to 31.1%, dw) and black carbon contents (ranged from 0.1% to 2.1%, dw) in the sediments. Moreover, most of the measured organic carbon normalized partition coefficients of PAHs in the three streams were 0.76 to 1.54 log units higher than the predicted values. These indicated that strong and nonlinear sorption of PAHs by carbonaceous geosorbents such as black carbon (BC) existed in the streams, and BC was an important part of the carbonaceous particles controlling the partitioning of PAHs in the sediments of this study. PAH component ratio analyses suggested that PAHs in the three streams, effluent samples from wastewater treatment plants, and soil samples by the riverbank had similar main sources, which is coal/petroleum combustion. We suggested the transportation and transformation of both carbonaceous particles and PAHs during wastewater treatment process, surface runoff, etc, should be studied further in order to make decisions on PAHs controlling measures. Content Type Journal Article Pages 1-9 DOI 10.1007/s10661-011-2083-x Authors Weixiao Qi, State Key Laboratory of Environmental Aquatic Chemistry, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing, 100085 China Jiuhui Qu, State Key Laboratory of Environmental Aquatic Chemistry, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing, 100085 China Huijuan Liu, State Key Laboratory of Environmental Aquatic Chemistry, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing, 100085 China Chengzhi Hu, State Key Laboratory of Environmental Aquatic Chemistry, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing, 100085 China Huachun Lan, State Key Laboratory of Environmental Aquatic Chemistry, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing, 100085 China Huimin Ren, State Key Laboratory of Environmental Aquatic Chemistry, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing, 100085 China Wei Xu, State Key Laboratory of Environmental Aquatic Chemistry, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing, 100085 China Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    The sensitive and specific detection of analytes such as proteins in biological samples is critical for a variety of applications, for example disease diagnosis. In immunoassays a signal in response to the concentration of analyte present is generated by use of antibodies labeled with radioisotopes, luminophores, or enzymes. All immunoassays suffer to some extent from the problem of the background signal observed in the absence of analyte, which limits the sensitivity and dynamic range that can be achieved. This is especially the case for homogeneous immunoassays and surface measurements on tissue sections and membranes, which typically have a high background because of sample autofluorescence. One way of minimizing background in immunoassays involves the use of lanthanide chelate labels. Luminescent lanthanide complexes have exceedingly long-lived luminescence in comparison with conventional fluorophores, enabling the short-lived background interferences to be removed via time-gated acquisition and delivering greater assay sensitivity and a broader dynamic range. This review highlights the potential of using lanthanide luminescence to design sensitive and specific immunoassays. Techniques for labeling biomolecules with lanthanide chelate tags are discussed, with aspects of chelate design. Microtitre plate-based heterogeneous and homogeneous assays are reviewed and compared in terms of sensitivity, dynamic range, and convenience. The great potential of surface-based time-resolved imaging techniques for biomolecules on gels, membranes, and tissue sections using lanthanide tracers in proteomics applications is also emphasized. Content Type Journal Article Pages 1-18 DOI 10.1007/s00216-011-5047-7 Authors A. K. Hagan, Institute of Bioanalytical Chemistry, Center of Biotechnology and Biomedicine, Faculty of Chemistry and Mineralogy, Leipzig University, Deutscher Platz 5, 04103 Leipzig, Germany T. Zuchner, Institute of Bioanalytical Chemistry, Center of Biotechnology and Biomedicine, Faculty of Chemistry and Mineralogy, Leipzig University, Deutscher Platz 5, 04103 Leipzig, Germany Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    A new transmission-based Fourier transform infrared (FTIR) spectroscopic method for the direct determination of free fatty acids (FFA) in edible oils has been developed using the developed spectral reconstitution (SR) technique. Conventional neat-oil and SR calibrations were devised by spiking hexanoic acid into FFA-free canola oil and measuring the response to added FFA at 1,712 cm −1 referenced to a baseline at 1,600 cm −1 (1,712 cm −1 /1,600 cm −1 ). To compensate for the known oil dependency of such calibration equations resulting from variation of the triacylglycerol ester (C═O) absorption with differences in oil saponification number (SN), a correction equation was devised by recording the spectra of blends of two FFA-free oils (canola and coconut) differing substantially in SN and correlating the intensity of the ester (C═O) absorption at the FFA measurement location with the intensity of the first overtone of this vibration, measured at 3,471 cm −1 /3,427 cm −1 . Further examination of the spectra of the oil blends by generalized 2D correlation spectroscopy revealed an additional strong correlation with an absorption in the near-infrared (NIR) combination band region, which led to the development of a second correction equation based on the absorbance at 4,258 cm −1 /4,235 cm −1 . The NIR-based correction equation yielded superior results and was shown to completely eliminate biases due to variations in oil SN, thereby making a single FFA calibration generally applicable to oils, regardless of SN. FTIR methodology incorporating this correction equation and employing the SR technique has been automated. Figure  SR spectra of FFA-free canola oil and coconut oil, illustrating their relative absorption profiles in the FFA measurement region (1,712 cm −1 ) (A) as well as the relative intensities of the first overtone of the triacylglycerol ester linkage ν (C═O) absorption (B), demonstrates that the correlating band (3,471 cm −1 ) can overcome oil dependency in FTIR FFA analysis of edible oils Content Type Journal Article Pages 1-10 DOI 10.1007/s00216-011-5036-x Authors Xiuzhu Yu, College of Food Science and Engineering, Northwest A&F University, 28 Xinong Road Yangling, 712100 Shaanxi, China F. R. van de Voort, Department of Food Science and Agricultural Chemistry, McGill University, 21,111 Lakeshore Road, Sainte-Anne-de-Bellevue, QC H9X 3V9, Canada Jacqueline Sedman, Department of Food Science and Agricultural Chemistry, McGill University, 21,111 Lakeshore Road, Sainte-Anne-de-Bellevue, QC H9X 3V9, Canada Jin-ming Gao, College of Science, Northwest A&F University, 22 Xinong Road Yangling, 712100 Shaanxi, China Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Next-generation sequencing provides technologies which sequence whole prokaryotic and eukaryotic genomes in days, perform genome-wide association studies, chromatin immunoprecipitation followed by sequencing and RNA sequencing for transcriptome studies. An exponentially growing volume of sequence data can be anticipated, yet functional interpretation does not keep pace with the amount of data produced. In principle, these data contain all the secrets of living systems, the genotype–phenotype relationship. Firstly, it is possible to derive the structure and connectivity of the metabolic network from the genotype of an organism in the form of the stoichiometric matrix N . This is, however, static information. Strategies for genome-scale measurement, modelling and predicting of dynamic metabolic networks need to be applied. Consequently, metabolomics science—the quantitative measurement of metabolism in conjunction with metabolic modelling—is a key discipline for the functional interpretation of whole genomes and especially for testing the numerical predictions of metabolism based on genome-scale metabolic network models. In this context, a systematic equation is derived based on metabolomics covariance data and the genome-scale stoichiometric matrix which describes the genotype–phenotype relationship. Content Type Journal Article Pages 1-12 DOI 10.1007/s00216-011-4948-9 Authors Wolfram Weckwerth, Department of Molecular Systems Biology, University of Vienna, Althanstrasse 14, 1090 Vienna, Austria Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Matrix-assisted laser desorption/ionization imaging mass spectrometry was used to analyze donor eye tissue specimens for phospholipid content to evaluate lipid distribution. Phosphatidylcholines and sphingomyelins were detected in the positive ion mode using 2,5-dihydroxybenzoic acid as the matrix. During this study, unknown ion signals in the lower m/z region (less than m/z 400) were detected, mainly in the far periphery of human flat-mounted tissue but not in age-matched rhesus monkey tissue prepared in a similar manner. The unknown ion signals occurred at m/z 304, 332, 360, and 388. These ions were subjected to tandem mass spectrometry directly from the tissue sample, and exact mass measurements of extracts were prepared for further identification. These ions were identified as alkyl dimethylbenzylammonium surfactants (benzalkonium chlorides (BACs)). The classification of these species was verified by comparing an eye tissue extract to an over-the-counter eye-care product containing BACs. Content Type Journal Article Pages 1-11 DOI 10.1007/s00216-011-5044-x Authors Timothy J. Garrett, Clinical and Translational Science Institute, University of Florida, 1600 SW Archer Rd, Gainesville, FL 32610, USA Robert F. Menger, Department of Chemistry, University of Florida, Gainesville, FL 32610, USA William W. Dawson, Department of Ophthalmology, University of Florida, Gainesville, FL 32610, USA Richard A. Yost, Department of Chemistry, University of Florida, Gainesville, FL 32610, USA Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Fourier-transform infrared (FTIR) imaging has been used to investigate brain tumor angiogenesis using a mice solid tumor model and bare-gold (∅ 25 nm) or BaSO 4 (∅ 500 nm) nanoparticles (NP) injected into blood vasculature. FTIR images of 20-μm-thick tissue sections were used for chemical histology of healthy and tumor areas. Distribution of BaSO 4 -NP (using the 1,218–1,159 cm −1 spectral interval) revealed clearly all details of blood vasculature with morphological abnormalities of tumor capillaries, while Au-NP (using the 1,046–1,002 cm −1 spectral interval) revealed also diffusion properties of leaky blood vessels. Diffusion of Au-NP out of vascular space reached 64 ± 29 μm, showing the fenestration of “leaky” tumor blood vessels, which should allow small NP (〈100 nm, as for Au-NP) to diffuse almost freely, while large NP should not (as for BaSO 4 -NP in this study). Therefore, we propose to develop FTIR imaging as a convenient tool for functional molecular histology imaging of brain tumor vasculature, both for identifying blood capillaries and for determining the extravascular diffusion space offered by vessel fenestration. Content Type Journal Article Pages 1-7 DOI 10.1007/s00216-011-5069-1 Authors Razia Noreen, Université de Bordeaux, CNRS UMR 5248 CBMN, 2 Rue Robert Escarpit, 33604 Pessac, France Raphael Pineau, INSERM U920, Université de Bordeaux 1, Avenue des facultés, 33604 Pessac, France Chia-Chi Chien, Institute of Physics, Academia Sinica, Nankang, Taipei, 115 Taiwan, China Mariangela Cestelli-Guidi, INFN LNF, 40 Via Enrico Fermi, 00044 Frascati-Roma, Italy Yeukuang Hwu, Institute of Physics, Academia Sinica, Nankang, Taipei, 115 Taiwan, China Augusto Marcelli, INFN LNF, 40 Via Enrico Fermi, 00044 Frascati-Roma, Italy Michel Moenner, INSERM U920, Université de Bordeaux 1, Avenue des facultés, 33604 Pessac, France Cyril Petibois, Université de Bordeaux, CNRS UMR 5248 CBMN, 2 Rue Robert Escarpit, 33604 Pessac, France Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Passive exposure to tobacco smoke causes a variety of illnesses ranging from allergic responses to cancer. Assessment of exposure to second-hand tobacco smoke (SHS), particularly among vulnerable populations enables intervention and prevention of future disease. A minimally invasive oral fluids-based onsite test to detect such exposure would create a valuable tool for researchers and clinicians. Here we describe the development of a test that uses an inexpensive reader that utilizes a CMOS image sensor to reliably quantify a reporter signal and determine nicotine exposure. The rapid lateral flow test consists of a nitrocellulose strip with a control line containing goat anti-rabbit IgG, used as an internal standard, and a test line containing BSA–cotinine conjugate. To run the test, diluted sample containing antibodies against cotinine, the major metabolite of nicotine, is mixed with protein A–gold nanoparticles and placed on the sample pad. As the sample runs up to the nitrocellulose pad, antibodies in the running buffer bind to available cotinine. If cotinine is absent, the antibodies will bind to the BSA–cotinine derivative immobilized on the test line, resulting in an intense purple–red band. The concentration of cotinine equivalents in the sample can be estimated from interpretation of the test line. In this article we describe the effect of different cotinine derivatives, oral fluid pretreatment, and application and running buffers on assay sensitivity. The test can reliably detect as little as 2 ng mL −1 cotinine equivalents. The assay is sensitive, simple, rapid, inexpensive, and easily implementable in point-of-care facilities to detect second-hand smoke exposure. Content Type Journal Article Pages 1-10 DOI 10.1007/s00216-011-5051-y Authors Jesus M. Gonzalez, Department of Chemistry, Lehigh University, Seeley G. Mudd Building, 6 E Packer Ave, Bethlehem, PA 18015, USA Michael W. Foley, Department of Chemistry, Lehigh University, Seeley G. Mudd Building, 6 E Packer Ave, Bethlehem, PA 18015, USA Natalie M. Bieber, Department of Chemistry, Lehigh University, Seeley G. Mudd Building, 6 E Packer Ave, Bethlehem, PA 18015, USA Peter A. Bourdelle, Department of Chemistry, Lehigh University, Seeley G. Mudd Building, 6 E Packer Ave, Bethlehem, PA 18015, USA R. Sam Niedbala, Department of Chemistry, Lehigh University, Seeley G. Mudd Building, 6 E Packer Ave, Bethlehem, PA 18015, USA Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Molecularly imprinted polymers (MIPs) are tailor-made polymers with high selectivity for a given analyte, or group of structurally related compounds. The influence of the process parameters (the moles of functional monomer and cross-linker, the selection of functional monomer and solvent) on the preparation of oseltamivir (OS)-imprinted polymers was investigated. A mathematical method for uniform design to optimize these selected parameters and to increase the MIP selectivity for template molecules was applied. The optimal conditions to synthesize MIP were 0.69 mmol 30% acrylamide (AA) + 70% 4-Vinylpyridine (4-VP) and 5.0 mmol ethylene glycol dimethacrylate (EGDMA) copolymerized in 5 ml toluene in the presence of 0.1 mmol OS. MIP showed high affinity and selectivity for separation of the template molecule from other compounds. In the present study, we have established an effective LC-MS/MS method to identify and quantify OS with good sensitivity, accuracy and precision. Figure  A Complexation; B polymerization and template removal; C MIP has high affinity to template molecule; D MIP has some affinity to template molecule analog; E MIP has no affinity to other chemicals with different type from template molecule. a Template molecule; b template molecule analog; c other chemicals Content Type Journal Article Pages 1-10 DOI 10.1007/s00216-011-5063-7 Authors Yajun Yang, Key Lab of New Animal Drug Project, Gansu Province, Key Lab of Veterinary Pharmaceutics Discovery, Ministry of Agriculture, Lanzhou Institute of Animal Science and Veterinary Pharmaceutics, Chinese Academy of Agricultural Sciences, No335, Jiangouyan, Xiaoxihu, Qilihe District, Lanzhou, 730050 China Jianyong Li, Key Lab of New Animal Drug Project, Gansu Province, Key Lab of Veterinary Pharmaceutics Discovery, Ministry of Agriculture, Lanzhou Institute of Animal Science and Veterinary Pharmaceutics, Chinese Academy of Agricultural Sciences, No335, Jiangouyan, Xiaoxihu, Qilihe District, Lanzhou, 730050 China Yurong Liu, Key Lab of New Animal Drug Project, Gansu Province, Key Lab of Veterinary Pharmaceutics Discovery, Ministry of Agriculture, Lanzhou Institute of Animal Science and Veterinary Pharmaceutics, Chinese Academy of Agricultural Sciences, No335, Jiangouyan, Xiaoxihu, Qilihe District, Lanzhou, 730050 China Jiyu Zhang, Key Lab of New Animal Drug Project, Gansu Province, Key Lab of Veterinary Pharmaceutics Discovery, Ministry of Agriculture, Lanzhou Institute of Animal Science and Veterinary Pharmaceutics, Chinese Academy of Agricultural Sciences, No335, Jiangouyan, Xiaoxihu, Qilihe District, Lanzhou, 730050 China Bing Li, Key Lab of New Animal Drug Project, Gansu Province, Key Lab of Veterinary Pharmaceutics Discovery, Ministry of Agriculture, Lanzhou Institute of Animal Science and Veterinary Pharmaceutics, Chinese Academy of Agricultural Sciences, No335, Jiangouyan, Xiaoxihu, Qilihe District, Lanzhou, 730050 China Xuepeng Cai, Lanzhou Institute of Veterinary Science, Chinese Academy of Agricultural Sciences, Lanzhou, 730000 China Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Ultrahigh-performance liquid chromatography coupled to quadrupole time-of-flight mass spectrometry was applied for the identification of transformation products (TPs) of fluoroquinolone (norfloxacin and ciprofloxacin) and macrolide (azithromycin, erythromycin, and roxitromycin) antimicrobials in wastewater effluents from a Zenon hollow-fiber membrane bioreactor (MBR). The detected TPs were thoroughly characterized using the accurate mass feature for the determination of the tentative molecular formulae and MS-MS experiments for the structural elucidation of unknowns. Several novel TPs, which have not been previously reported in the literature, were identified. The TPs of azithromycin and roxithromycin, identified in MBR effluent, were conjugate compounds, which were formed by phosphorylation of desosamine moiety. Transformation of fluoroquinolones yielded two types of products: conjugates, formed by succinylation of the piperazine ring, and smaller metabolites, formed by an oxidative break-up of piperazine moiety to form the 7-[(2-carboxymethyl)amino] group. A semi-quantitative assessment of these TPs suggested that they might have contributed significantly to the overall balance of antimicrobial residues in MBR effluents and thus to the overall removal efficiency. Determination of TPs during a period of 2 months indicated a conspicuous dynamics, which warrants further research to identify microorganisms involved and treatment conditions leading to their formation. Figure  Proposed structures of the novel transformation products of antimicrobials, formed during MBR wastewater treatment. AZI TP – phosphorylated azithromycin; ROX TP -phosphorylated roxithromycin; NOR TP1 – succinyl norfloxacin; CIP TP1 – succinyl ciprofloxacin; NOR TP2 - 7-[(carboxymethyl)amino]-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; CIP TP2 - 7-[(carboxymethyl)amino]-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. Content Type Journal Article Pages 1-11 DOI 10.1007/s00216-011-5060-x Authors Senka Terzic, Division of Marine and Environmental Research, Rudjer Boskovic Institute, 10000 Zagreb, Croatia Ivan Senta, Division of Marine and Environmental Research, Rudjer Boskovic Institute, 10000 Zagreb, Croatia Marin Matosic, Faculty of Food Technology and Biotechnology, University of Zagreb, 10000 Zagreb, Croatia Marijan Ahel, Division of Marine and Environmental Research, Rudjer Boskovic Institute, 10000 Zagreb, Croatia Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Currently a large range of pure substance reference materials are available for calibration of doping-control methods. These materials enable traceability to the International System of Units (SI) for the results generated by World Anti-Doping Agency (WADA)-accredited laboratories. Only a small number of prohibited substances have threshold limits for which quantification is highly important. For these analytes only the highest quality reference materials that are available should be used. Many prohibited substances have no threshold limits and reference materials provide essential identity confirmation. For these reference materials the correct identity is critical and the methods used to assess identity in these cases should be critically evaluated. There is still a lack of certified matrix reference materials to support many aspects of doping analysis. However, in key areas a range of urine matrix materials have been produced for substances with threshold limits, for example 19-norandrosterone and testosterone/epitestosterone (T/E) ratio. These matrix-certified reference materials (CRMs) are an excellent independent means of checking method recovery and bias and will typically be used in method validation and then regularly as quality-control checks. They can be particularly important in the analysis of samples close to threshold limits, in which measurement accuracy becomes critical. Some reference materials for isotope ratio mass spectrometry (IRMS) analysis are available and a matrix material certified for steroid delta values is currently under production. In other new areas, for example the Athlete Biological Passport, peptide hormone testing, designer steroids, and gene doping, reference material needs still need to be thoroughly assessed and prioritised. Content Type Journal Article Pages 1-10 DOI 10.1007/s00216-011-5049-5 Authors Lindsey G. Mackay, National Measurement Institute Australia, 1 Suakin Street, Pymble, NSW 2073, Australia Rymantas Kazlauskas, National Measurement Institute Australia, 1 Suakin Street, Pymble, NSW 2073, Australia Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Laser ablation coupled to inductively coupled plasma optical emission spectrometry (LA-ICP-OES) and laser-induced breakdown spectroscopy (LIBS) were investigated for the determination of Ca, Mg, Zn and Na in milk samples. The accuracy of both methods was evaluated by comparison of the concentration found using LA-ICP-OES and LIBS with classical wet digestion associated with ICP-OES determination. The results were not fully acceptable, with biases from less than 1% to more than 60%. Matrix effects were also investigated. The sample matrix can influence the temperature, electron number density ( n e ) and other excitation characteristics in the ICP. These ICP characteristics were studied and evaluated during ablation of eight milk samples. Differences in n e (from 8.9 to 13.8 × 10 14  cm −3 ) and rotational temperature (ranging from 3,400 to 4,400 K) occurred with no correlation with trueness. LIBS results obtained after classical external calibration procedure gave degraded accuracy, indicating a strong matrix effect. The LIBS measurements clearly showed that the major problem in LA-ICP was related to the ablation process and that LIBS spectroscopy is an excellent diagnostic tool for LA-ICP techniques. Content Type Journal Article Pages 1-9 DOI 10.1007/s00216-011-5079-z Authors N. Gilon, Laboratoire des Sciences Analytiques, UMR CNRS 5180, Université de Lyon, Université Claude Bernard Lyon1, 69622 Villeurbanne, France J. El-Haddad, Laboratoire des Sciences Analytiques, UMR CNRS 5180, Université de Lyon, Université Claude Bernard Lyon1, 69622 Villeurbanne, France A. Stankova, Laboratoire des Sciences Analytiques, UMR CNRS 5180, Université de Lyon, Université Claude Bernard Lyon1, 69622 Villeurbanne, France W. Lei, Laboratoire de Spectrométrie ionique et Moléculaire, UMR CNRS 5579, Université de Lyon, Université Claude Bernard Lyon1, 69622 Villeurbanne, France Q. Ma, Laboratoire de Spectrométrie ionique et Moléculaire, UMR CNRS 5579, Université de Lyon, Université Claude Bernard Lyon1, 69622 Villeurbanne, France V. Motto-Ros, Laboratoire de Spectrométrie ionique et Moléculaire, UMR CNRS 5579, Université de Lyon, Université Claude Bernard Lyon1, 69622 Villeurbanne, France J. Yu, Laboratoire de Spectrométrie ionique et Moléculaire, UMR CNRS 5579, Université de Lyon, Université Claude Bernard Lyon1, 69622 Villeurbanne, France Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    The volatile compounds present in wines are responsible for the quality of the wine aroma. The analysis of these compounds requires different analytical techniques depending on the type of compounds and their concentration. The importance at sensorial level of each compound should be evaluated by using olfactometric techniques and reconstitution and omission studies. In addition, wine aroma is influenced by other factors such as wine matrix, which could affect the compounds’ volatility, decreasing or increasing their concentration in the headspace above the wine. Moreover, when a wine is consumed, several oral physiological variables could affect aroma perception. The focus of this review is to outline the most recent advances in wine aroma analysis and the most innovative techniques in trying to elucidate the main factors that influence wine aroma perception during consumption. Content Type Journal Article Pages 1-16 DOI 10.1007/s00216-011-5078-0 Authors Carolina Muñoz-González, Instituto de Investigación en Ciencias de la Alimentación (CIAL), CSIC-UAM, C/ Nicolás Cabrera, 9. Campus de Cantoblanco, 28049 Madrid, Spain Juan J. Rodríguez-Bencomo, Instituto de Investigación en Ciencias de la Alimentación (CIAL), CSIC-UAM, C/ Nicolás Cabrera, 9. Campus de Cantoblanco, 28049 Madrid, Spain M. Victoria Moreno-Arribas, Instituto de Investigación en Ciencias de la Alimentación (CIAL), CSIC-UAM, C/ Nicolás Cabrera, 9. Campus de Cantoblanco, 28049 Madrid, Spain M. Ángeles Pozo-Bayón, Instituto de Investigación en Ciencias de la Alimentación (CIAL), CSIC-UAM, C/ Nicolás Cabrera, 9. Campus de Cantoblanco, 28049 Madrid, Spain Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description: Analytical biophotonics Content Type Journal Article Pages 1-2 DOI 10.1007/s00216-011-5042-z Authors Jürgen Popp, Institut für Physikalische Chemie, Friedrich-Schiller-Universitaet Jena, Helmholtzweg 4, 07743 Jena, Germany Reiner Salzer, Fachrichtung Chemie und Lebensmittelchemie, Technische Universität Dresden, 01062 Dresden, Germany Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Two honey samples are taken from two parts of the same honeycomb: one that contacts to the surface of the wire and the other taken from the surface that does not contact the wires. Heavy metal contents of these two samples were determined by inductively coupled plasma atomic emission spectrometry). The Mo, Cd, Cr, Fe, Mn, Ni and Zn contents of the honey in contact with wire is higher when compared to the other. Especially, Fe and Zn contents of honey in contact with wire is much higher than the non-contact one. These values are, respectively, 190.21 and 112.76 ppm. Besides, Ni content of honey in contact with wire is approximately 50% higher. Content Type Journal Article Pages 1-3 DOI 10.1007/s10661-011-2123-6 Authors Mehmet Musa Özcan, Department of Food Engineering, Faculty of Agriculture, University of Selcuk, 42031 Konya, Turkey Fahad Y. AL Juhaimi, Department of Food Science & Nutrition, College of Food and Agricultural Sciences, King Saud University, Riyadh, Saudi Arabia Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    The oxides of nitrogen—NO x (NO and NO 2 )—are an important constituent of the troposphere. The availability of relatively higher spatial (0.25° grid) and temporal (daily) resolution data from ozone monitoring instrument (OMI) onboard Aura helps us to better differentiate between the point sources such as thermal power plants from large cities and rural areas compared to previous sensors. The annual and seasonal (summer and winter) distributions shows very high mean tropospheric NO 2 in specific pockets over India especially over the Indo-Gangetic plains (up to 14.2 × 10 15 molecules/cm 2 ). These pockets correspond with the known locations of major thermal power plants. The tropospheric NO 2 over India show a large seasonal variability that is also observed in the ground NO 2 data. The multiple regression analysis show that the influence of a unit of power plant (in gigawatts) over tropospheric NO 2 (×10 15  molecules/cm 2 ) is around ten times compared to a unit of population (in millions) over India. The OMI data show that the NO 2 increases by 0.794 ± 0.12 (×10 15  molecules/cm 2 ; annual) per GW compared to a previous estimate of 0.014 (×10 15  molecules/cm 2 ) over India. The increase of tropospheric NO 2 per gigawatt is found to be 1.088 ± 0.18, 0.898 ± 0.14, and 0.395 ± 0.13 (×10 15  molecules/cm 2 ) during winter, summer, and monsoon seasons, respectively. The strong seasonal variation is attributed to the enhancement or suppression of NO 2 due to various controlling factors which is discussed here. The recent increasing trend (2005–2007) over rural thermal power plants pockets like Agori and Korba is due to recent large capacity additions in these regions. Content Type Journal Article Pages 1-17 DOI 10.1007/s10661-011-2087-6 Authors Anup K. Prasad, School of Earth and Environmental Sciences, Schmid College of Science, Chapman University, Orange, CA 92866, USA Ramesh P. Singh, School of Earth and Environmental Sciences, Schmid College of Science, Chapman University, Orange, CA 92866, USA Menas Kafatos, School of Earth and Environmental Sciences, Schmid College of Science, Chapman University, Orange, CA 92866, USA Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    Pasture selection by livestock is an essential topic for rangeland management, especially in trace element-contaminated soils. We have studied the composition (nutrients and trace elements) of a grass-based diet from soils affected by a mine spill at different growth stages (October 2008 to May 2009). A diet based on other plants (mainly Compositae species) was also studied (May 2009) for comparison. Faeces and mane hair of horses feeding on these pastures were also analysed. Micronutrient (Cu, Fe, Mn and Zn) and potentially toxic trace element (As, Cd, Pb, Tl) concentrations were below the maximum tolerable levels (MTL) for horses, except for Fe (at early growth of pastures) and Cd (in the diet based on ‘other’ plants). Values of potential ingestion of Fe by horses were higher than 10 mg kg body weight  − 1 day  − 1 . Cadmium concentrations in some pasture samples (those composed of Compositae species) were higher than 3 mg kg  − 1 . Potential toxicity of such Cd levels in pastures is uncertain, since a high disparity of criteria about MTL by cattle exists (between 0.5 and 10 mg kg  − 1 diet). Nutrient concentrations were adequate for horses, which could counteract possible harmful effects derived from trace element ingestion. The analyses of excreta and mane hair point to the low risk of toxicity derived from the consumption of these contaminated pastures. However, the ingestion of regenerating pastures (autumnal samples) should be avoided due to the greater risk of ingestion of contaminated soil attached to the plant material. Management of these pastures by grazing requires periodic monitoring. Special attention should be given to Fe and particularly Cd (non-essential element) which accumulates in animal organs, where it could provoke uncertain long-term effects. Content Type Journal Article Pages 1-13 DOI 10.1007/s10661-011-2097-4 Authors Paula Madejón, Instituto de Recursos Naturales y Agrobiología de Sevilla (IRNAS), CSIC., PO Box 1052, 41080 Sevilla, Spain Maria T. Domínguez, Instituto de Recursos Naturales y Agrobiología de Sevilla (IRNAS), CSIC., PO Box 1052, 41080 Sevilla, Spain Jose M. Murillo, Instituto de Recursos Naturales y Agrobiología de Sevilla (IRNAS), CSIC., PO Box 1052, 41080 Sevilla, Spain Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    The Korean government recently proposed expanding the number of soil-quality standards to 30 by 2015. The objectives of our study were to construct a reasonable protocol for screening priority soil contaminants for inclusion in the planned soil quality standard expansion. The chemical ranking system of soil pollution substances (CROSS) was first developed to serve as an analytical tool in chemical scoring and ranking of possible soil pollution substances. CROSS incorporates important parameters commonly used in several previous chemical ranking and scoring systems and the new soil pollution parameters. CROSS uses soil-related parameters in its algorithm, including information related to the soil environment, such as soil ecotoxicological data, the soil toxic release inventory (TRI), and soil partitioning coefficients. Soil TRI and monitoring data were incorporated as local specific parameters. In addition, CROSS scores the transportability of chemicals in soil because soil contamination may result in groundwater contamination. Dermal toxicity was used in CROSS only to consider contact with soil. CROSS uses a certainty score to incorporate data uncertainty. CROSS scores the importance of each candidate substance and assigns rankings on the basis of total scores. Cadmium was the most highly ranked. Generally, metals were ranked higher than other substances. Pentachlorophenol, phenol, dieldrin, and methyl tert-butyl ether were ranked the highest among chlorinated compounds, aromatic compounds, pesticides, and others, respectively. The priority substance list generated from CROSS will be used in selecting substances for possible inclusion in the Korean soil quality standard expansion; it will also provide important information for designing a soil-environment management scheme. Content Type Journal Article Pages 1-12 DOI 10.1007/s10661-011-2109-4 Authors Seung-Woo Jeong, Department of Environmental Engineering, Kunsan National University, Kunsan, 573-701 South Korea Youn-Joo An, Department of Environmental Science, Konkuk University, Seoul, South Korea Journal Environmental Monitoring and Assessment Online ISSN 1573-2959 Print ISSN 0167-6369

Description:    A liquid chromatography–high resolution mass spectrometry (LC-HRMS) method for the simultaneous identification and quantification of 28 benzodiazepines, including 6 metabolites, in 50 mg of hair has been validated. Positive ion electrospray ionization and HRMS determination in full-scan mode were realized on an Orbitrap mass spectrometer at a nominal resolving power of 60,000. In-source collisional experiments were conducted to obtain additional information for a more reliable identification of the investigated drugs. HRMS in full-scan mode allowed the exact determination of molecular masses of all analytes eluting in the HPLC run, so that both the immediate and retrospective screening of results for drugs and their metabolites were available. Sample preparation consisted of an overnight incubation in phosphate buffer pH 8.4 and a subsequent liquid/liquid extraction with methylene chloride/diethyl ether (90:10). Gradient elution was performed on a Luna C18 analytical column and four deuterated analogues were used as internal standards (IS). Validation was performed using both spiked hair samples and hair samples from subjects treated with benzodiazepines. Selectivity was evaluated by analysis of 20 certified blank hair samples. Extraction efficiency and matrix effects were evaluated by analysis of true positive samples. The lowest limits of quantification (LLOQs) ranged from 1 to 10 pg/mg. Linearity was investigated in the range from LLOQ to 1,000 pg/mg, for each compound ( R 2 0.998–0.999). Mean relative errors, calculated at three concentration levels, ranged from 1 to 20% (absolute value). Precision, at concentrations higher than the LLOQs, was always less than 15% expressed as percentage relative standard deviation. After validation, the procedure was applied to real samples collected for clinical and forensic toxicology purposes from subjects who were assumed to have taken benzodiazepines. Content Type Journal Article Pages 1-17 DOI 10.1007/s00216-011-4742-8 Authors Susanna Vogliardi, Forensic Toxicology and Antidoping, Medical School, University Hospital of Padova, Via Falloppio 50, 35121 Padova, Italy Donata Favretto, Forensic Toxicology and Antidoping, Medical School, University Hospital of Padova, Via Falloppio 50, 35121 Padova, Italy Marianna Tucci, Forensic Toxicology and Antidoping, Medical School, University Hospital of Padova, Via Falloppio 50, 35121 Padova, Italy Giulia Stocchero, Forensic Toxicology and Antidoping, Medical School, University Hospital of Padova, Via Falloppio 50, 35121 Padova, Italy Santo Davide Ferrara, Forensic Toxicology and Antidoping, Medical School, University Hospital of Padova, Via Falloppio 50, 35121 Padova, Italy Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description: Brief history of the Austrian Society of Analytical Chemistry Content Type Journal Article Pages 1-6 DOI 10.1007/s00216-011-4692-1 Authors Hans Malissa, Division of Chemistry and Bioanalytics, Department of Molecular Biology, University of Salzburg, 5020 Salzburg, Austria Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Reactive oxygen species (ROS) are involved in the regulation of many physiological processes. However, overproduction of ROS under various cellular stresses results in cell death and organ injury and thus contributes to a broad spectrum of diseases and pathological conditions. The existence of different cellular sources for ROS and the distinct properties of individual ROS (their reactivity, lifetime, etc.) require adequate detection methods. We therefore compared different models of cellular stress and various ROS-sensitive dyes—2′,7′-dichlorodihydrofluorescein diacetate (DCF-DA), MitoSOX™, and MitoTracker® red CM-H 2 XRos—using a confocal fluorescent imaging approach, which has the advantage of not only detecting but also of localizing intracellular sources for ROS. Confocal acquisition of DCF-DA fluorescence can be combined with ROS detection by the mitochondria-specific probes MitoSOX™ and MitoTracker® red CM-H 2 XRos. Specificity was controlled using various antioxidants such as Trolox and N -acetylcysteine. Using different fluorescent ROS-sensitive probes, we detected higher ROS production equally under cell starvation (IL-3 or serum depletion), hypoxia–reoxygenation, or treatment of cells with prooxidants. The detected increase in ROS was approximately threefold in IL-3-depleted 32D cells, approximately 3.5-fold in serum-deprived NIH cells, and 2.5-fold to threefold in hypoxic HL-1 cells, and these findings agree well with previously published spectrofluorometric measurements. In some cases, electron spin resonance (ESR) spectroscopy was used for the validation of results from confocal fluorescent imaging. Our data show that confocal fluorescent imaging and ESR data are in good agreement. Under cellular stress, mitochondrial ROS are released into the cytoplasm and may participate in many processes, but they do not escape from the cell. Online abstract  Mitochondrial ROS production under cellular stress Content Type Journal Article Pages 1-8 DOI 10.1007/s00216-011-4764-2 Authors Andrey V. Kuznetsov, Cardiac Surgery Research Laboratory, Department of Heart Surgery, Innsbruck Medical University (IMU), Innrain 66, 6020 Innsbruck, Austria Ingeborg Kehrer, Ludwig Boltzmann Institute for Experimental and Clinical Traumatology, Research Center of AUVA, 1200 Vienna, Austria Andrey V. Kozlov, Ludwig Boltzmann Institute for Experimental and Clinical Traumatology, Research Center of AUVA, 1200 Vienna, Austria Martina Haller, Daniel Swarovski Research Laboratory, Department of Visceral, Transplant and Thoracic Surgery, Innsbruck Medical University (IMU), 6020 Innsbruck, Austria Heinz Redl, Ludwig Boltzmann Institute for Experimental and Clinical Traumatology, Research Center of AUVA, 1200 Vienna, Austria Martin Hermann, KMT Laboratory, Department of Visceral, Transplant and Thoracic Surgery, Innsbruck Medical University (IMU), 6020 Innsbruck, Austria Michael Grimm, Cardiac Surgery Research Laboratory, Department of Heart Surgery, Innsbruck Medical University (IMU), Innrain 66, 6020 Innsbruck, Austria Jakob Troppmair, Daniel Swarovski Research Laboratory, Department of Visceral, Transplant and Thoracic Surgery, Innsbruck Medical University (IMU), 6020 Innsbruck, Austria Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Agricultural workers are exposed to folpet, but biomonitoring data are limited. Phthalimide (PI), phthalamic acid (PAA), and phthalic acid (PA) are the ring metabolites of this fungicide according to animal studies, but they have not yet been measured in human urine as metabolites of folpet, only PA as a metabolite of phthalates. The objective of this study was thus to develop a reliable gas chromatography–tandem mass spectrometry (GC–MS) method to quantify the sum of PI, PAA, and PA ring-metabolites of folpet in human urine. Briefly, the method consisted of adding p -methylhippuric acid as an internal standard, performing an acid hydrolysis at 100 °C to convert ring-metabolites into PA, purifying samples by ethyl acetate extraction, and derivatizing with N , O -bis(trimethylsilyl)trifluoro acetamide prior to GC–MS analysis. The method had a detection limit of 60.2 nmol/L (10 ng/mL); it was found to be accurate (mean recovery, 97%), precise (inter- and intra-day percentage relative standard deviations 〈13%), and with a good linearity ( R 2  〉 0.98). Validation was conducted using unexposed peoples urine spiked at concentrations ranging from 4.0 to 16.1 μmol/L, along with urine samples of volunteers dosed with folpet, and of exposed workers. The method proved to be (1) suitable and accurate to determine the kinetic profile of PA equivalents in the urine of volunteers orally and dermally administered folpet and (2) relevant for the biomonitoring of exposure in workers. Figure  Representative chromatograms of PA equivalents (trimethylsilyl phthalic acid or TMS-PA) in the urine of a volunteer orally dosed with folpet ( a ) and of a worker following folpet spraying ( b ; TMS-IS is the derivatized internal standard) Content Type Journal Article Pages 1-10 DOI 10.1007/s00216-011-4753-5 Authors Aurélie Berthet, Institute for Work and Health, Bugnon 21, 1011 Lausanne, Switzerland Michèle Berode, Institute for Work and Health, Bugnon 21, 1011 Lausanne, Switzerland Michèle Bouchard, Department of Environmental and Occupational Health, School of Public Health, Université de Montréal, PO Box 6128, Main Station, Montreal, QC H3C 3J7, Canada Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Pyrolysis gas chromatography–mass spectrometry (PyGC-MS) was used as a rapid method for the characterization of permanent marker ink. Twenty-four samples of various colours purchased from different manufacturers were characterised. Four main typologies of polymer-binding medium could be distinguished on the basis of the pyrolysis products, and differentiation between permanent markers of different manufacturers could be accomplished. For some permanent marker samples, PyGC-MS analysis allowed pigment identification as well. Content Type Journal Article Pages 1-8 DOI 10.1007/s00216-011-4714-z Authors Inez D. van der Werf, Dipartimento di Chimica, Università degli Studi di Bari Aldo Moro, Via Orabona, 4, 70126 Bari, Italy Giulia Germinario, Dipartimento di Chimica, Università degli Studi di Bari Aldo Moro, Via Orabona, 4, 70126 Bari, Italy Francesco Palmisano, Dipartimento di Chimica, Università degli Studi di Bari Aldo Moro, Via Orabona, 4, 70126 Bari, Italy Luigia Sabbatini, Dipartimento di Chimica, Università degli Studi di Bari Aldo Moro, Via Orabona, 4, 70126 Bari, Italy Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    A pulsed stand-off Raman system has been built and optimised for the qualitative and quantitative analysis of inorganic and organic samples including explosives. The system consists of a frequency doubled Q-switched Nd:YAG laser (532 nm, 10 Hz, 4.4 ns pulse length), aligned coaxially with a 6″ Schmidt–Cassegrain telescope for the collection of Raman scattered light. The telescope was coupled via a fibre optic bundle to an Acton standard series SP-2750 spectrograph with a PI-MAX 1024RB intensified CCD camera equipped with a 500-ps gating option for detection. Gating proved to be essential for achieving high signal-to-noise ratios in the recorded stand-off Raman spectra. In some cases, gating also allowed suppression of disturbing fluorescence signals. For the first time, quantitative analysis of stand-off Raman spectra was performed using both univariate and multivariate methods of data analysis. To correct for possible variation in instrumental parameters, the nitrogen band of ambient air was used as an internal standard. For the univariate method, stand-off Raman spectra obtained at a distance of 9 m on sodium chloride pellets containing varying amounts of ammonium nitrate (0–100%) were used. For the multivariate quantification of ternary xylene mixtures (0–100%), stand-off spectra at a distance of 5 m were used. The univariate calibration of ammonium nitrate yielded R 2 values of 0.992, and the multivariate quantitative analysis yielded root mean square errors of prediction of 2.26%, 1.97% and 1.07% for o -, m - and p -xylene, respectively. Stand-off Raman spectra obtained at a distance of 10 m yielded a detection limit of 174 μg for NaClO 3 . Furthermore, to assess the applicability of stand-off Raman spectroscopy for explosives detection in “real-world” scenarios, their detection on different background materials (nylon, polyethylene and part of a car body) and in the presence of interferents (motor oil, fuel oil and soap) at a distance of 20 m was also investigated. Figure  Stand-off Raman spectroscopy Content Type Journal Article Pages 1-9 DOI 10.1007/s00216-011-4715-y Authors Bernhard Zachhuber, Institute of Chemical Technologies and Analytics, Vienna University of Technology, Getreidemarkt 9/164AC, 1060 Vienna, Austria Georg Ramer, Institute of Chemical Technologies and Analytics, Vienna University of Technology, Getreidemarkt 9/164AC, 1060 Vienna, Austria Alison Hobro, Institute of Chemical Technologies and Analytics, Vienna University of Technology, Getreidemarkt 9/164AC, 1060 Vienna, Austria Engelene t. H. Chrysostom, Institute of Chemical Technologies and Analytics, Vienna University of Technology, Getreidemarkt 9/164AC, 1060 Vienna, Austria Bernhard Lendl, Institute of Chemical Technologies and Analytics, Vienna University of Technology, Getreidemarkt 9/164AC, 1060 Vienna, Austria Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    Membrane distillation (MD) is presented for the first time as a real-time, online concentration technique, where the aqueous matrix is removed from the sample to enhance analyte enrichment. Therefore, MD is a universal method for a wide range of compounds and is unlike conventional membrane extractions that rely on the permeation of the solute into an extractant phase. The MD process showed excellent precision with relative standard deviation between 3% and 5%, linear calibration, and the detection limits for pharmaceutical compounds in the range of 0.01 to 20 mg L −1 by HPLC-UV analysis. The temperature and flow rate of the feed solution were found to be important variables. Figure    Content Type Journal Article Pages 1-5 DOI 10.1007/s00216-011-4733-9 Authors Ken Gethard, Department of Chemistry and Environmental Science, New Jersey Institute of Technology, Newark, NJ 07102, USA Somenath Mitra, Department of Chemistry and Environmental Science, New Jersey Institute of Technology, Newark, NJ 07102, USA Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    The crystallization behavior of biosynthesized poly(3-hydroxybutyrate) film cast from 1,1,2,2-tetrachloromethane was studied by in situ FTIR spectroscopy and two-dimensional (2D) correlation analysis. Time-dependent in situ FTIR spectral variations in the C=O stretching region (1,780–1,700 cm -1 ) were monitored and analyzed by a series of data processing methods, including calculation of difference spectrum and second derivative spectrum, Fourier self-deconvolution, curve-fitting and 2D correlation analysis. Four bands have been resolved from the 2D correlation analysis, and the following overall sequential order among the intensity changes of the four bands has been obtained at 1,750 〉 1,739 〉 1,722 〉 1,715 cm -1 . Combining with the other data processing methods, a curve-fitting approach has been employed to reveal that there are probably five component bands under the C=O band profile, centered at 1,746; 1,737; 1,728; 1,722; and 1,712 cm -1 . Detailed analysis on the in situ component band intensity variations in the C=O stretching region indicates that the crystalline and amorphous band intensities change simultaneously during the crystallization process, with no local sequential order. Further analysis on the relative area percentage changes of the five component bands suggests that the crystalline component only changes in a fully cooperative manner with part of the amorphous component at the initial crystallization period. Band area change of each state with crystallization time Content Type Journal Article Pages 1-10 DOI 10.1007/s00216-011-4750-8 Authors He Huang, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou, 215123 China Wenjuan Guo, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou, 215123 China Hong Chen, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou, 215123 China Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description:    A bio-nanofilm consisting of a tetrad nanomaterial (nanotubes, nanoparticles, DNA, polymer) was fabricated utilizing in situ reduction and noncovalent interactions and it displayed effective antibacterial activity and biocompatibility. This bio-nanofilm was composed of homogenous silver nanoparticles (AgNPs) coated on single-walled carbon nanotubes (SWCNTs), which were later hybridized with DNA and stabilized in poly(vinyl alcohol) (PVA) in the presence of a surfactant with the aid of ultrasonication. Electron microscopy and bio-AFM (atomic force microscopy) images were used to assess the morphology of the nanocomposite (NC) structure. Functionalization and fabrication were examined using FT–Raman spectroscopy by analyzing the functional changes in the bio-nanofilm before and after fabrication. UV–visible spectroscopy and X-ray powder diffraction (XRD) confirmed that AgNPs were present in the final NC on the basis of its surface plasmon resonance (370 nm) and crystal planes. Thermal gravimetric analysis was used to measure the percentage weight loss of SWCNT (17.5%) and final SWCNT-AgNPs-DNA/PVA (47.7%). The antimicrobial efficiency of the bio-nanofilm was evaluated against major pathogenic organisms. Bactericidal ratios, zone of inhibition, and minimum inhibitory concentration were examined against gram positive and gram negative bacteria. A preliminary cytotoxicity analysis was conducted using A549 lung cancer cells and IMR-90 fibroblast cells. Confocal laser microscopy, bio-AFM, and field emission scanning electron microscopy (FE-SEM) images demonstrated that the NCs were successfully taken up by the cells. These combined results indicate that this bio-nanofilm was biocompatible and displayed antimicrobial activity. Thus, this novel bio-nanofilm holds great promise for use as a multifunctional tool in burn therapy, tissue engineering, and other biomedical applications.    Schematic representation of the fabrication of bio-nanofilm, and it's photographic images and applications. Content Type Journal Article Pages 1-14 DOI 10.1007/s00216-011-4757-1 Authors Ramesh P. Subbiah, College of Bionanotechnology, Kyungwon University, Gyeonggi-do, 461-701 South Korea Haisung Lee, Interdisciplinary Graduate Program of Biomedical Engineering, School of Medicine, Sungkyunkwan University, 50 Irwon-Dong, Gangnam-Gu Seoul, 135-710, Korea Murugan Veerapandian, College of Bionanotechnology, Kyungwon University, Gyeonggi-do, 461-701 South Korea Sathya Sadhasivam, College of Bionanotechnology, Kyungwon University, Gyeonggi-do, 461-701 South Korea Soo-won Seo, Interdisciplinary Graduate Program of Biomedical Engineering, School of Medicine, Sungkyunkwan University, 50 Irwon-Dong, Gangnam-Gu Seoul, 135-710, Korea Kyusik Yun, College of Bionanotechnology, Kyungwon University, Gyeonggi-do, 461-701 South Korea Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Description: Solution to green beans challenge Content Type Journal Article Pages 1-2 DOI 10.1007/s00216-011-4752-6 Authors Hervé This, INRA, UMR 1145 AgroParisTech, Group of Molecular Gastronomy, 16 rue Claude Bernard, 75005 Paris, France Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642