ALBERT

Beschreibung: Author(s): J. F. Barry, E. S. Shuman, E. B. Norrgard, and D. DeMille We demonstrate deceleration of a beam of neutral strontium monofluoride molecules using radiative forces. Under certain conditions, the deceleration results in a substantial flux of detected molecules with velocities ≲50  m/s . Simulations and other data indicate that the detection of molecules below... [Phys. Rev. Lett. 108, 103002] Published Thu Mar 08, 2012

Beschreibung: Author(s): Intae Eom, Sung-Hyun Ahn, Hanju Rhee, and Minhaeng Cho We demonstrate that a single-pulse characterization of electronic optical activity-free induction decay, which carries information on both circular dichroism and optical rotatory dispersion, is experimentally feasible. Employing a self-referencing scheme, we show that a highly reliable interferometr... [Phys. Rev. Lett. 108, 103901] Published Thu Mar 08, 2012

Beschreibung: Author(s): C. Cremaschini, M. Tessarotto, and J. C. Miller This Letter presents a kinetic description of low-frequency and long-wavelength axisymmetric electromagnetic perturbations in nonrelativistic, strongly magnetized, and gravitationally bound axisymmetric accretion-disk plasmas in the collisionless regime. The analysis, carried out within the framewor... [Phys. Rev. Lett. 108, 101101] Published Thu Mar 08, 2012

Beschreibung: Author(s): B. Isham, M. T. Rietveld, P. Guio, F. R. E. Forme, T. Grydeland, and E. Mjølhus Langmuir cavitons have been artificially produced in Earth’s ionosphere, but evidence of naturally occurring cavitation has been elusive. By measuring and modeling the spectra of electrostatic plasma modes, we show that natural cavitating, or strong, Langmuir turbulence does occur in the ionosphere,... [Phys. Rev. Lett. 108, 105003] Published Thu Mar 08, 2012

Beschreibung: Author(s): Rene Ledesma-Alonso, Dominique Legendre, and Philippe Tordjeman We study the interaction between a solid particle and a liquid interface. A semianalytical solution of the nonlinear equation that describes the interface deformation points out the existence of a bifurcation behavior for the apex deformation as a function of the distance. We show that the apex curv... [Phys. Rev. Lett. 108, 106104] Published Thu Mar 08, 2012

Beschreibung: Author(s): Eran Katzir, Shira Yochelis, Felix Zeides, Nadav Katz, Yaov Kalcheim, Oded Millo, Gregory Leitus, Yuri Myasodeyov, Boris Ya. Shapiro, Ron Naaman, and Yossi Paltiel The superconducting critical temperature, T C , of thin Nb films is significantly modified when gold nanoparticles (NPs) are chemically linked to the Nb film, with a consistent enhancement when using 3 nm long disilane linker molecules. The T C increases by up to 10% for certain linker length and NP si... [Phys. Rev. Lett. 108, 107004] Published Thu Mar 08, 2012

Beschreibung: Author(s): J. O. Daldrop, C. T. H. Davies, and R. J. Dowdall (HPQCD Collaboration) We calculate the full spectrum of D -wave states in the Υ system in lattice QCD for the first time, by using an improved version of nonrelativistic QCD on coarse and fine “second-generation” gluon field configurations from the MILC Collaboration that include the effect of up, down, strange, and charm... [Phys. Rev. Lett. 108, 102003] Published Thu Mar 08, 2012

Beschreibung: Author(s): Vernon Barger, Muneyuki Ishida, and Wai-Yee Keung A number of candidate theories beyond the standard model (SM) predict new scalar bosons below the TeV region. Among these, the radion, which is predicted in the Randall-Sundrum model, and the dilaton, which is predicted by the walking technicolor theory, have very similar couplings to those of the S... [Phys. Rev. Lett. 108, 101802] Published Thu Mar 08, 2012

Beschreibung: Author(s): Soohyung Park, Taehoon Kim, and Wonpil Im A method of window exchange umbrella sampling molecular dynamics simulation is employed for transmembrane helix assembly. An analytical expression for the average acceptance probability between neighboring windows is derived and combined with the first passage time optimization method to predetermin... [Phys. Rev. Lett. 108, 108102] Published Thu Mar 08, 2012

Beschreibung: Author(s): Per Sebastian Skardal, Alain Karma, and Juan G. Restrepo Spatially discordant alternans is a widely observed pattern of voltage and calcium signals in cardiac tissue that can precipitate lethal cardiac arrhythmia. Using spatially coupled iterative maps of the beat-to-beat dynamics, we explore this pattern’s dynamics in the regime of a calcium-dominated pe... [Phys. Rev. Lett. 108, 108103] Published Thu Mar 08, 2012

Beschreibung: Author(s): Marcos Verissimo-Alves, Pablo García-Fernández, Daniel I. Bilc, Philippe Ghosez, and Javier Junquera We report first-principles characterization of the structural and electronic properties of (SrTiO 3 ) 5 /(SrRuO 3 ) 1 superlattices. We show that the system exhibits a spin-polarized two-dimensional electron gas, extremely confined to the 4 d orbitals of Ru in the SrRuO 3 layer. Every interface in the superl... [Phys. Rev. Lett. 108, 107003] Published Thu Mar 08, 2012

Beschreibung: Author(s): Yuhou Wang, Walter Gekelman, Patrick Pribyl, and Konstantinos Papadopoulos Laboratory observations of enhanced loss of fast electrons trapped in a magnetic mirror geometry irradiated by shear Alfvén waves (SAW) are reported. A population of runaway electrons generated by second harmonic electron-cyclotron-resonance heating, as evidenced by the production of hard x rays wit... [Phys. Rev. Lett. 108, 105002] Published Thu Mar 08, 2012

Beschreibung: Author(s): Filipe Tostevin, Wiet de Ronde, and Pieter Rein ten Wolde In biochemical signaling, information is often encoded in oscillatory signals. However, the advantages of such a coding strategy over an amplitude-encoding scheme of constant signals remain unclear. Here we study the dynamics of a simple model gene promoter in response to oscillating and constant tr... [Phys. Rev. Lett. 108, 108104] Published Thu Mar 08, 2012

Beschreibung: Author(s): Timothy H. Hsieh and Liang Fu The recently discovered superconductor Cu x Bi 2 Se 3 is a candidate for three-dimensional time-reversal-invariant topological superconductors, which are predicted to have robust surface Andreev bound states hosting massless Majorana fermions. In this work, we analytically and numerically find the linear... [Phys. Rev. Lett. 108, 107005] Published Thu Mar 08, 2012

Beschreibung: Author(s): Igor Popov, Nadjib Baadji, and Stefano Sanvito We report on a density functional theory study demonstrating the coexistence of weak ferromagnetism and antiferroelectricity in boron-deficient MgB 6 . A boron vacancy produces an almost one dimensional extended molecular orbital, which is responsible for the magnetic moment formation. Then, long-rang... [Phys. Rev. Lett. 108, 107205] Published Thu Mar 08, 2012

Beschreibung: Author(s): P. Honvault, M. Jorfi, T. González-Lezana, A. Faure, and L. Pagani [Phys. Rev. Lett. 108, 109903] Published Thu Mar 08, 2012

Beschreibung: Author(s): Christian Klein, Cyril Petitjean, and Xavier Waintal We discuss the current induced magnetization dynamics of spin valves F 0 |N|SyF where the free layer is a synthetic ferrimagnet SyF made of two ferromagnetic layers F 1 and F 2 coupled by RKKY exchange coupling. When the magnetic moment of the outer layer F 2 dominates the magnetization of the SyF , the s... [Phys. Rev. Lett. 108, 086601] Published Thu Feb 23, 2012

Beschreibung: Author(s): Vernon Barger, Cheng-Wei Chiang, Wai-Yee Keung, and Danny Marfatia Using the nonobservance of missing mass events in the leptonic kaon decay K → μ X , we place a strong constraint on exotic parity-violating gauge interactions of the right-handed muon. By way of illustration, we apply it to an explanation of the proton size anomaly that invokes such a new force; scenari... [Phys. Rev. Lett. 108, 081802] Published Thu Feb 23, 2012

Beschreibung: Author(s): Krzysztof Byczuk, Jan Kuneš, Walter Hofstetter, and Dieter Vollhardt We introduce a well-defined and unbiased measure of the strength of correlations in quantum many-particle systems which is based on the relative von Neumann entropy computed from the density operator of correlated and uncorrelated states. The usefulness of this general concept is demonstrated by qua... [Phys. Rev. Lett. 108, 087004] Published Thu Feb 23, 2012

Beschreibung: Author(s): P. Das, J. S. White, A. T. Holmes, S. Gerber, E. M. Forgan, A. D. Bianchi, M. Kenzelmann, M. Zolliker, J. L. Gavilano, E. D. Bauer, J. L. Sarrao, C. Petrovic, and M. R. Eskildsen We present small angle neutron scattering studies of the vortex lattice (VL) in CeCoIn 5 with magnetic fields applied parallel ( H ) to the antinodal [100] and nodal [110] directions. For H ∥[100] , a single VL orientation is observed, while a 90° reorientation transition is found for H ∥[110] . For both f... [Phys. Rev. Lett. 108, 087002] Published Thu Feb 23, 2012

Beschreibung: Author(s): N. Deng, A. Kumar, M. J. Manfra, L. N. Pfeiffer, K. W. West, and G. A. Csáthy We report an unexpected sharp peak in the temperature dependence of the magnetoresistance of the reentrant integer quantum Hall states in the second Landau level. This peak defines the onset temperature of these states. We find that in different spin branches the onset temperatures of the reentrant ... [Phys. Rev. Lett. 108, 086803] Published Thu Feb 23, 2012

Beschreibung: Author(s): J. Medford, Ł. Cywiński, C. Barthel, C. M. Marcus, M. P. Hanson, and A. C. Gossard We investigate the scaling of coherence time T 2 with the number of π pulses n π in a singlet-triplet spin qubit using Carr-Purcell-Meiboom-Gill (CPMG) and concatenated dynamical decoupling (CDD) pulse sequences. For an even numbers of CPMG pulses, we find a power law T 2 ∝( n π ) γ e , with γ e =0.72±0.01 , ess... [Phys. Rev. Lett. 108, 086802] Published Thu Feb 23, 2012

Beschreibung:    Characterization of matrix metalloprotease (MMP) activities is of increasing interest for cancer prognosis or treatment follow-up. Indeed, MMP-1, -2 and -9 are widely involved in the growth of many tumors and progression steps such as angiogenesis, invasion, and metastasis. Fluorogenic peptide MMP substrates were previously synthesized with the aim of detecting MMP activities. One of their drawbacks is their limited solubility in biological media. Grafting them onto a solid support represented a novel way to yield efficient analysis devices whilst at the same time decreasing the quantities of peptides used. Novel peptide arrays were designed in order to detect MMP activities in biological fluids. Silicon plates were used as the solid support for the design of these novel tools. These were functionalized by organic self-assembled monolayers (SAMs) on which fluorogenic peptides were covalently coupled. SAM and peptide grafting on silicon plates were confirmed by epifluorescence, ellipsometry, and FT-IR analysis. Enzymatic assays were monitored by fluorescence spectrometry and showed that immobilized linear peptides were recognized and cleaved by MMPs. Content Type Journal Article Category Original Paper Pages 1-10 DOI 10.1007/s00216-012-5760-x Authors Mohamed-Anis Alouini, Université Bordeaux Segalen, CNRS, FRE 3396 Pharmacochimie, 146 rue Léo Saignat, 33076 Bordeaux Cedex, France El-Farouck Moustoifa, Université Bordeaux Segalen, CNRS, FRE 3396 Pharmacochimie, 146 rue Léo Saignat, 33076 Bordeaux Cedex, France Sandra Albenque Rubio, Université Bordeaux Segalen, CNRS, FRE 3396 Pharmacochimie, 146 rue Léo Saignat, 33076 Bordeaux Cedex, France Aghleb Bartegi, Unité de Recherche 02/UR/09-01 Biochimie des Protéines et Interactions Moléculaires, Avenue Taher Hadda, BP 74, Monastir, 5000 Tunisia Thomas Berthelot, Chemistry of Surfaces and Interfaces CEA Saclay, Bâtiment 466, F-91191 Gif-sur-Yvette, CEDEX, France Gérard Déléris, Université Bordeaux Segalen, CNRS, FRE 3396 Pharmacochimie, 146 rue Léo Saignat, 33076 Bordeaux Cedex, France Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    Environmental analysis most often is trace analysis. Therefore, the concentrations are commonly in the lower working range near the limit of detection of the corresponding analytical method. However, whenever the instrument’s analytical noise is too large, it dominates the signal curves and analytes cannot be detected anymore. Furthermore, the evaluation of peaks with defined baselines is hindered very much. One possibility for de-noising is wavelet transform which is presented in this work. Different wavelet functions are applied and Symlet4 is suggested as the most powerful for analytical peaks that resemble Gaussian distribution curves, as it improves limits of detection by factors 6 to 7. The comparison of different wavelet functions has been carried out for two modern analytical scopes. At first, chromatograms are de-noised for the speciation of four arsenic compounds via the coupling of HPLC and ICP-MS. Secondly, the determination of cadmium is shown by HR-CS AAS, which is one of the most recently developed devices in atomic absorption spectrometry and allows the registration of three-dimensional spectra in order to investigate the spectral vicinity of analytical lines. On the basis of these investigations, we recommend using wavelet transform with Symlet4 for all analytical techniques which are resulting in similar signal curves. Content Type Journal Article Category Technical Note Pages 1-5 DOI 10.1007/s00216-012-5828-7 Authors Simon Prikler, Department of Environmental Analysis, Institute of Inorganic and Analytical Chemistry, Friedrich Schiller University of Jena, Lessingstraße 8, 07743 Jena, Germany Jürgen W. Einax, Department of Environmental Analysis, Institute of Inorganic and Analytical Chemistry, Friedrich Schiller University of Jena, Lessingstraße 8, 07743 Jena, Germany Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    Columns containing immobilized low-density lipoprotein (LDL) were prepared for the analysis of drug interactions with this agent by high-performance affinity chromatography (HPAC). R/S -Propranolol was used as a model drug for this study. The LDL columns gave reproducible binding to propranolol over 60 h of continuous use in the presence of pH 7.4 0.067 M potassium phosphate buffer. Experiments conducted with this type of column through frontal analysis indicated that two types of interactions were occurring between R -propranolol and LDL, while only a single type of interaction was observed between S -propranolol and LDL. The first type of interaction, which was seen for both enantiomers, involved non-saturable binding; this interaction had an overall affinity ( nK a ) of 1.9 (±0.1) × 10 5  M −1 for R -propranolol and 2.7 (±0.2) × 10 5  M −1 for S -propranolol at 37 °C. The second type of interaction was observed only for R -propranolol and involved saturable binding that had an association equilibrium constant ( K a ) of 5.2 (±2.3) × 10 5  M −1 at 37 °C. Similar differences in binding behavior were found for the two enantiomers at 20 °C and 27 °C. This is the first known example of stereoselective binding of drugs by LDL or other lipoproteins. This work also illustrates the ability of HPAC to be used as a tool for characterizing mixed-mode interactions that involve LDL and related binding agents. Online abstract figure  Potential routes for drug interactions with low density lipoprotein (LDL). Content Type Journal Article Category Original Paper Pages 1-9 DOI 10.1007/s00216-012-5816-y Authors Matthew R. Sobansky, Chemistry Department, University of Nebraska, Lincoln, NE 68588-0304, USA David S. Hage, Chemistry Department, University of Nebraska, Lincoln, NE 68588-0304, USA Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    We report the development of a National Institute of Metrology (NIM) hemoglobin A 1c (HbA 1c ) certified reference material (CRM). Each CRM unit contains about 10 μL of hemoglobin. Both hemoglobin and glycated hemoglobin were quantitatively determined by high-performance liquid chromatography (HPLC)–isotope dilution mass spectrometry (IDMS) with synthesized VHLTPE and glycated VHLTPE as standards. The mass fraction of synthesized VHLTPE or glycated VHLTPE was also quantitatively determined by HPLC-IDMS with NIM amino acid CRMs as standards. The homogeneity and stability of the CRMs were examined with a commercial HbA 1c analyzer based on the HPLC principle. Fifteen units were randomly selected for homogeneity examination, and statistical analysis showed there was no inhomogeneity. Examination of the stability showed that the CRM was stable for at least 6 months at -80 °C. Uncertainty components of the balance, amino acid purity, hydrolysis and proteolysis efficiency, method reproducibility, homogeneity, and stability were taken into consideration for uncertainty evaluation. The certified value of NIM HbA 1c CRM was expressed as the ratio of HbA 1c to total hemoglobin in moles, and was (9.6 ± 1.9)% . The CRM can be used as a calibration or validation standard for clinical diagnostics. It is expected to improve the comparability for HbA 1c measurement in China. Content Type Journal Article Category Original Paper Pages 1-6 DOI 10.1007/s00216-012-5834-9 Authors Jiaming Bi, College of Science, Beijing University of Chemical Technology, Beijing, 100029 China Liqing Wu, Division of Biological, Energy and Environmental Measurement, National Institute of Metrology, Beijing, 100013 China Bin Yang, Division of Biological, Energy and Environmental Measurement, National Institute of Metrology, Beijing, 100013 China Yi Yang, College of Science, Beijing University of Chemical Technology, Beijing, 100029 China Jing Wang, Division of Biological, Energy and Environmental Measurement, National Institute of Metrology, Beijing, 100013 China Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung: Author(s): T. Aaltonen et al. (CDF Collaboration) We report an indirect search for nonstandard model physics using the flavor-changing neutral current decays B → K (*) μ + μ - . We reconstruct the decays and measure their angular distributions, as a function of q 2 = M μ μ 2 c 2 , where M μ μ is the dimuon mass, in p p ̅ collisions at √ s =1.96  TeV using a data ... [Phys. Rev. Lett. 108, 081807] Published Fri Feb 24, 2012

Beschreibung: Author(s): Andrew K. Mitchell, Eran Sela, and David E. Logan We consider the non-Fermi-liquid quantum critical state of the spin- S two-impurity Kondo model and its potential realization in a quantum dot device. Using conformal field theory and the numerical renormalization group, we show the critical point to be identical to that of the two-channel Kondo mode... [Phys. Rev. Lett. 108, 086405] Published Fri Feb 24, 2012

Beschreibung: Erratum to: Analytical methods for determination of new fluoroquinolones in biological matrices and pharmaceutical formulations by liquid chromatography: a review Content Type Journal Article Category Erratum Pages 1-1 DOI 10.1007/s00216-012-5913-y Authors Joana Sousa, Pharmacology Department, Faculty of Pharmacy, University of Coimbra, Pólo das Ciências da Saúde, Azinhaga de Santa Comba, 3000-548 Coimbra, Portugal Gilberto Alves, CNC – Centre for Neurosciences and Cell Biology, University of Coimbra, 3004-517 Coimbra, Portugal João Abrantes, Pharmacology Department, Faculty of Pharmacy, University of Coimbra, Pólo das Ciências da Saúde, Azinhaga de Santa Comba, 3000-548 Coimbra, Portugal Ana Fortuna, Pharmacology Department, Faculty of Pharmacy, University of Coimbra, Pólo das Ciências da Saúde, Azinhaga de Santa Comba, 3000-548 Coimbra, Portugal Amílcar Falcão, Pharmacology Department, Faculty of Pharmacy, University of Coimbra, Pólo das Ciências da Saúde, Azinhaga de Santa Comba, 3000-548 Coimbra, Portugal Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung: 10th Dresdner Sensor-Symposium—an anniversary to celebrate Content Type Journal Article Category Conference Highlights Pages 1-2 DOI 10.1007/s00216-012-5842-9 Authors Melanie Ewald, Group Optical Spectroscopy, Institute of Physical and Theoretical Chemistry, Eberhard Karls University Tübingen, Auf der Morgenstelle 18, 72076 Tuebingen, Germany Barbara Schwarz, Group Optical Spectroscopy, Institute of Physical and Theoretical Chemistry, Eberhard Karls University Tübingen, Auf der Morgenstelle 18, 72076 Tuebingen, Germany Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    In the last years, some analytical methodologies have been identified as a source of pollution, receiving increasing attention to decrease their impact on the environment. In this sense, the so-called solvent-less methodologies appear as a green alternative to reduce the volume of solvents used in many sample treatment procedures and, consequently, the volume of toxic wastes produced. Among these techniques, analytical methodologies based on liquid-phase microextraction are being continuously developed, although most applications are focused on organic compounds. In this work, a three-phase hollow-fibre liquid-phase microextraction (HF-LPME) system has been developed for the preconcentration of nickel in natural waters, prior to the analysis by atomic absorption spectrometry. Under optimum conditions, the new system allowed an enrichment factor of 29.80 to be obtained after 60 min of experiment, and it was successfully applied to the determination of nickel in both saline and non-saline water samples, at ppb and ppt levels. The results were compared with those obtained using a well-established methodology based on liquid solvent extraction showing no significant differences ( α  = 0.05) between both values. In addition, the new HF-LPME presents the advantages of a green analytical technique, as its greenness profile shows, with the additional reduction of sample manipulation and time cost. Content Type Journal Article Category Original Paper Pages 1-6 DOI 10.1007/s00216-012-5896-8 Authors Cristina Vergel, Department of Analytical Chemistry, Faculty of Marine and Environmental Sciences, University of Cádiz, 11510 Puerto Real, Spain Rocío Montoya, Department of Analytical Chemistry, Faculty of Chemistry, University of Sevilla, 41012 Sevilla, Spain Carolina Mendiguchía, Department of Analytical Chemistry, Faculty of Marine and Environmental Sciences, University of Cádiz, 11510 Puerto Real, Spain Manuel García-Vargas, Department of Analytical Chemistry, Faculty of Marine and Environmental Sciences, University of Cádiz, 11510 Puerto Real, Spain Carlos Moreno, Department of Analytical Chemistry, Faculty of Marine and Environmental Sciences, University of Cádiz, 11510 Puerto Real, Spain Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    Mass spectrometry (MS)-based enzyme assay has been shown to be a useful tool for screening enzymatic activities from environmental samples. Recently, reported approaches for high-specificity multiplexed characterization of enzymatic activities allow for providing detailed information on the range of enzymatic products and monitoring multiple enzymatic reactions. However, the throughput has been limited by the slow liquid–liquid handling and manual analysis. This rapid communication demonstrates the integration of acoustic sample deposition with nanostructure initiator mass spectrometry (NIMS) imaging to provide reproducible measurements of multiple enzymatic reactions at a throughput that is tenfold to 100-fold faster than conventional MS-based enzyme assay. It also provides a simple means for the visualization of multiple reactions and reaction pathways. Content Type Journal Article Category Short Communication Pages 1-5 DOI 10.1007/s00216-012-5908-8 Authors Matthew Greving, Nextval, 4186 Sorrento Valley Blvd, Suite G, San Diego, CA 92121, USA Xiaoliang Cheng, Department of Bioenergy/GTL and Structural Biology, Life Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94704, USA Wolfgang Reindl, Department of Bioenergy/GTL and Structural Biology, Life Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94704, USA Benjamin Bowen, Department of Bioenergy/GTL and Structural Biology, Life Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94704, USA Kai Deng, Physical Biosciences Division, Lawrence Berkeley National Laboratory, Joint BioEnergy Institute (JBEI), Berkeley, CA 94720, USA Katherine Louie, Department of Bioenergy/GTL and Structural Biology, Life Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94704, USA Michael Nyman, Nextval, 4186 Sorrento Valley Blvd, Suite G, San Diego, CA 92121, USA Joseph Cohen, Nextval, 4186 Sorrento Valley Blvd, Suite G, San Diego, CA 92121, USA Anup Singh, Physical Biosciences Division, Lawrence Berkeley National Laboratory, Joint BioEnergy Institute (JBEI), Berkeley, CA 94720, USA Blake Simmons, Physical Biosciences Division, Lawrence Berkeley National Laboratory, Joint BioEnergy Institute (JBEI), Berkeley, CA 94720, USA Paul Adams, Physical Biosciences Division, Lawrence Berkeley National Laboratory, Joint BioEnergy Institute (JBEI), Berkeley, CA 94720, USA Gary Siuzdak, Department of Chemistry, Center for Metabolomics, The Scripps Research Institute, La Jolla, CA 92037, USA Trent Northen, Department of Bioenergy/GTL and Structural Biology, Life Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94704, USA Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung: Author(s): R. Aaij et al. (LHCb Collaboration) A search for time-integrated C P violation in D 0 → h - h + ( h = K , π ) decays is presented using 0.62  fb -1 of data collected by LHCb in 2011. The flavor of the charm meson is determined by the charge of the slow pion in the D *+ → D 0 π + and D *- → D ̅ 0 π - decay chains. The difference in C P asymmetry between ... [Phys. Rev. Lett. 108, 111602] Published Mon Mar 12, 2012

Beschreibung: Author(s): F. Papoff and G. R. M. Robb We show that modulation of an optical field injected into a cavity containing a dilute Bose-Einstein condensate is transformed into a modulation of the population of the atomic momentum states due to pseudoresonances of the resolvent which describes the linearized evolution of the atom-cavity system... [Phys. Rev. Lett. 108, 113902] Published Mon Mar 12, 2012

Beschreibung: Author(s): C. Collins, N. Katz, J. Wallace, J. Jara-Almonte, I. Reese, E. Zweibel, and C. B. Forest A new concept for spinning unmagnetized plasma is demonstrated experimentally. Plasma is confined by an axisymmetric multicusp magnetic field and biased cathodes are used to drive currents and impart a torque in the magnetized edge. Measurements show that flow viscously couples momentum from the mag... [Phys. Rev. Lett. 108, 115001] Published Mon Mar 12, 2012

Beschreibung: Author(s): B. Qiao, S. Kar, M. Geissler, P. Gibbon, M. Zepf, and M. Borghesi A novel regime is proposed where, by employing linearly polarized laser pulses at intensities 10 21   W cm -2 (2 orders of magnitude lower than discussed in previous work [ T. Esirkepov et al. Phys. Rev. Lett. 92 175003 (2004) ]), ions are dominantly accelerated from ultrathin foils by the radiation pr... [Phys. Rev. Lett. 108, 115002] Published Mon Mar 12, 2012

Beschreibung: Author(s): Jean-Yvon Faou, Guillaume Parry, Sergey Grachev, and Etienne Barthel Compressively stressed thin films with low adhesion frequently buckle and delaminate simultaneously into telephone cords. Although these buckles have been studied for decades, no complete understanding of their propagation has so far been presented. In this study, we have coupled a nonlinear plate d... [Phys. Rev. Lett. 108, 116102] Published Mon Mar 12, 2012

Beschreibung: Author(s): S. Souma, K. Eto, M. Nomura, K. Nakayama, T. Sato, T. Takahashi, Kouji Segawa, and Yoichi Ando We have performed angle-resolved photoemission spectroscopy on Pb(Bi 1-x Sb x ) 2 Te 4 , which is a member of lead-based ternary tellurides and has been theoretically proposed as a candidate for a new class of three-dimensional topological insulators. In PbBi 2 Te 4 , we found a topological surface state with a... [Phys. Rev. Lett. 108, 116801] Published Mon Mar 12, 2012

Beschreibung: Author(s): F. A. Wolf, S. Graser, F. Loder, and T. Kopp Strong correlations are known to severely reduce the mobility of charge carriers near half filling and thus have an important influence on the current carrying properties of grain boundaries in the high- T c cuprates. In this Letter we present an extension of the Gutzwiller projection approach to trea... [Phys. Rev. Lett. 108, 117002] Published Mon Mar 12, 2012

Beschreibung: Author(s): K. Tada, J. Haruyama, H. X. Yang, M. Chshiev, T. Matsui, and H. Fukuyama [Phys. Rev. Lett. 108, 119901] Published Mon Mar 12, 2012

Beschreibung: Author(s): Xiao Li, Theodore A. Corcovilos, Yang Wang, and David S. Weiss We demonstrate 3D microwave projection sideband cooling of trapped, neutral atoms. The technique employs state-dependent potentials that enable microwave photons to drive vibration-number reducing transitions. The particular cooling sequence we employ uses minimal spontaneous emission, and works eve... [Phys. Rev. Lett. 108, 103001] Published Fri Mar 09, 2012

Beschreibung: Author(s): Jörg Schelter, Björn Trauzettel, and Patrik Recher We numerically investigate Andreev reflection in a graphene ring with one normal conducting and one superconducting lead by solving the Bogoliubov–de Gennes equation within the Landauer-Büttiker formalism. By tuning chemical potential and bias voltage, it is possible to switch between regimes where ... [Phys. Rev. Lett. 108, 106603] Published Fri Mar 09, 2012

Beschreibung: Author(s): Matthew Bradford, Kenechukwu C. Obi, and Jung-Tsung Shen We propose a scheme for efficient optical frequency conversion at the single-photon power level. The scheme exploits the quantum interference of single-photon states at a three-level quantum emitter coupled to a Sagnac interferometer. We show that this device can achieve single-photon frequency up- ... [Phys. Rev. Lett. 108, 103902] Published Fri Mar 09, 2012

Beschreibung: Author(s): Tamar Goldman, Roi Harpaz, Eran Bouchbinder, and Jay Fineberg When branching is suppressed, rapid cracks undergo a dynamic instability from a straight to an oscillatory path at a critical velocity v c . In a systematic experimental study using a wide range of different brittle materials, we first show how the opening profiles of straight cracks scale with the si... [Phys. Rev. Lett. 108, 104303] Published Fri Mar 09, 2012

Beschreibung: Author(s): Qian Cuan, Junguang Tao, Xue-Qing Gong, and Matthias Batzill Metal oxide surfaces have been thought to be fairly rigid. On the example of rutile TiO 2 (011) we show that this is not necessarily the case. This surface restructures by interacting with molecules. The synergic effect of adsorbates causes a strictly directional reorganization of the substrate, which... [Phys. Rev. Lett. 108, 106105] Published Fri Mar 09, 2012

Beschreibung: Author(s): François Quemeneur, Catherine Quilliet, Magalie Faivre, Annie Viallat, and Brigitte Pépin-Donat Osmotic deflation of giant vesicles in the rippled gel phase P β ′ gives rise to a large variety of novel faceted shapes. These shapes are also found from a numerical approach by using an elastic surface model. A shape diagram is proposed based on the model that accounts for the vesicle size and ratio... [Phys. Rev. Lett. 108, 108303] Published Fri Mar 09, 2012

Beschreibung: Author(s): S. Ouazi, S. Wedekind, G. Rodary, H. Oka, D. Sander, and J. Kirschner We investigate the magnetization reversal of individual Co islands on Cu(111) in the size range of N =700 to 18 000 atoms by spin-polarized scanning tunneling microscopy at 8 K. The switching field H sw changes with island size in a nonmonotonic manner: it increases with island size and reaches a maxi... [Phys. Rev. Lett. 108, 107206] Published Fri Mar 09, 2012

Beschreibung: Author(s): Manabu Tsujimoto, Takashi Yamamoto, Kaveh Delfanazari, Ryo Nakayama, Takeo Kitamura, Masashi Sawamura, Takanari Kashiwagi, Hidetoshi Minami, Masashi Tachiki, Kazuo Kadowaki, and Richard A. Klemm Continuous, coherent subterahertz radiation arises when a dc voltage is applied across a stack of the many intrinsic Josephson junctions in a Bi 2 Sr 2 CaCu 2 O 8+δ single crystal. The active junctions produce an equal number of I - V characteristic branches. Each branch radiates at a slightly tunable freque... [Phys. Rev. Lett. 108, 107006] Published Fri Mar 09, 2012

Beschreibung: Author(s): Seong Eun Maeng, Jae Woo Lee, and Deok-Sun Lee Multiple classes of interactions may exist affecting one another in a given system. For the mutualistic networks of plants and pollinating animals, it has been known that the degree distribution is broad but often deviates from power-law form more significantly for plants than animals. To illuminate... [Phys. Rev. Lett. 108, 108701] Published Fri Mar 09, 2012

Beschreibung: Author(s): G. Aad et al. (ATLAS Collaboration) A search for the Higgs boson has been performed in the H → W W (*) → ℓ + ν ℓ - ν ̅ channel ( ℓ = e / μ ) with an integrated luminosity of 2.05  fb -1 of p p collisions at √ s =7  TeV collected with the ATLAS detector at the Large Hadron Collider. No significant excess of events over the expected background is obs... [Phys. Rev. Lett. 108, 111802] Published Tue Mar 13, 2012

Beschreibung: Author(s): Tomasz Sowiński, Omjyoti Dutta, Philipp Hauke, Luca Tagliacozzo, and Maciej Lewenstein We study the extended Bose-Hubbard model describing an ultracold gas of dipolar molecules in an optical lattice, taking into account all on-site and nearest-neighbor interactions, including occupation-dependent tunneling and pair tunneling terms. Using exact diagonalization and the multiscale entang... [Phys. Rev. Lett. 108, 115301] Published Tue Mar 13, 2012

Beschreibung: Author(s): F. Sylla, A. Flacco, S. Kahaly, M. Veltcheva, A. Lifschitz, G. Sanchez-Arriaga, E. Lefebvre, and V. Malka In laser-plasma experiments, we observed that ion acceleration from the Coulomb explosion of the plasma channel bored by the laser is prevented when multiple plasma instabilities, such as filamentation and hosing, and nonlinear coherent structures (vortices or postsolitons) appear in the wake of an ... [Phys. Rev. Lett. 108, 115003] Published Tue Mar 13, 2012

Beschreibung: Author(s): Hugh F. Wilson and Burkhard Militzer Gas giants are believed to form by the accretion of hydrogen-helium gas around an initial protocore of rock and ice. The question of whether the rocky parts of the core dissolve into the fluid H-He layers following formation has significant implications for planetary structure and evolution. Here we... [Phys. Rev. Lett. 108, 111101] Published Wed Mar 14, 2012

Beschreibung: Author(s): Mark G. Alford, Sanjay Reddy, and Kai Schwenzer Cooper pairing between fermions in dense matter leads to the formation of a gap in the fermionic excitation spectrum and typically exponentially suppresses transport properties. However, we show here that reactions involving conversion between different fermion species, such as Urca reactions in nuc... [Phys. Rev. Lett. 108, 111102] Published Wed Mar 14, 2012

Beschreibung: Author(s): J. Nipper, J. B. Balewski, A. T. Krupp, B. Butscher, R. Löw, and T. Pfau We report on experiments exploring Stark-tuned Förster resonances between Rydberg atoms with high resolution in the Förster defect. The individual resonances are expected to exhibit different angular dependencies, opening the possibility to tune not only the interaction strength but also the angular... [Phys. Rev. Lett. 108, 113001] Published Wed Mar 14, 2012

Beschreibung: Author(s): Ido Dolev, Ido Kaminer, Asia Shapira, Mordechai Segev, and Ady Arie We present the experimental observation of 1D and 2D self-accelerating nonlinear beams in quadratic media, which are also the first nonlinear self-accelerating beams in any symmetric nonlinearity. Notably, we show that the intensity peaks of the first and second harmonics are asynchronous with respe... [Phys. Rev. Lett. 108, 113903] Published Wed Mar 14, 2012

Beschreibung: Author(s): Anđela Šarić and Angelo Cacciuto Using computer simulations, we show that lipid membranes can mediate linear aggregation of spherical nanoparticles binding to it for a wide range of biologically relevant bending rigidities. This result is in net contrast with the isotropic aggregation of nanoparticles on fluid interfaces or the exp... [Phys. Rev. Lett. 108, 118101] Published Wed Mar 14, 2012

Beschreibung: Author(s): P. D. C. King, R. H. He, T. Eknapakul, P. Buaphet, S.-K. Mo, Y. Kaneko, S. Harashima, Y. Hikita, M. S. Bahramy, C. Bell, Z. Hussain, Y. Tokura, Z.-X. Shen, H. Y. Hwang, F. Baumberger, and W. Meevasana We demonstrate the formation of a two-dimensional electron gas (2DEG) at the (100) surface of the 5 d transition-metal oxide KTaO 3 . From angle-resolved photoemission, we find that quantum confinement lifts the orbital degeneracy of the bulk band structure and leads to a 2DEG composed of ladders of su... [Phys. Rev. Lett. 108, 117602] Published Wed Mar 14, 2012

Beschreibung:    Many chromophores absorb light intensely but have undetectable fluorescence. Hence microscopy techniques other than fluorescence are highly desirable for imaging these chromophores inside live cells, tissues, and organisms. The recently developed pump-probe optical microscopy techniques provide fluorescence-free contrast mechanisms by employing several fundamental light–molecule interactions including excited state absorption, stimulated emission, ground state depletion, and the photothermal effect. By using the pump pulse to excite molecules and the subsequent probe pulse to interrogate the created transient states on a laser scanning microscope, pump-probe microscopy offers imaging capability with high sensitivity and specificity toward nonfluorescent chromophores. Single-molecule sensitivity has even been demonstrated. Here we review and summarize the underlying principles of this emerging class of molecular imaging techniques. Figure  Apparatus used for pump-probe microscopy Content Type Journal Article Category Review Pages 1-6 DOI 10.1007/s00216-012-5890-1 Authors Lu Wei, Department of Chemistry, Columbia University, New York, NY 10027, USA Wei Min, Department of Chemistry, Columbia University, New York, NY 10027, USA Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    Benzotriazoles are a group of UV absorbing compounds considered emerging contaminants that are used in different personal care products, and therefore, it is of high interest to develop sensitive and fast methods for investigating their presence in the environment. In this work, we present the development and application of a novel method based on on-line solid-phase extraction coupled to ultra-performance liquid chromatography with tandem mass spectrometry detection (SPE-UPLC-MS/MS) for the determination of seven benzotriazole UV stabilizers (BUVSs) in coastal marine and wastewater samples. This process is compared with a conventional off-line SPE procedure followed by UPLC-MS/MS. The parameters affecting the performance of the sample preparation and determination processes were evaluated. The results indicate that the on-line procedure provides for better sensitivity and reproducibility and is faster and easier than the off-line procedure. The detection limits and quantification limits achieved were in the range of 0.6–4.1 ng∙L −1 and 2.1–14 ng∙L −1 and relative standard deviation between 6.2 and 10 %. The developed method was applied to coastal marine and wastewater samples from Gran Canaria Island (Spain). All of the BUVSs studied were detected in the samples from wastewater treatment plants and two were found in the seawater samples (UV P in the range of 2.8–4.4 ng∙L −1 and UV 360 between 3.6 and 5.2 ng∙L −1 ). Content Type Journal Article Category Original Paper Pages 1-10 DOI 10.1007/s00216-012-5906-x Authors Sarah Montesdeoca-Esponda, Departamento de Química, Universidad de Las Palmas de Gran Canaria, 35017 Las Palmas de Gran Canaria, Spain Zoraida Sosa-Ferrera, Departamento de Química, Universidad de Las Palmas de Gran Canaria, 35017 Las Palmas de Gran Canaria, Spain José Juan Santana-Rodríguez, Departamento de Química, Universidad de Las Palmas de Gran Canaria, 35017 Las Palmas de Gran Canaria, Spain Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    Novel molecularly imprinted polymer (MIP)-coated fibers for solid-phase microextraction (SPME) fibers were prepared by using linezolid as the template molecule. The characteristics and application of these fibers were investigated. The polypyrrole, polythiophene, and poly(3-methylthiophene) coatings were prepared in the electrochemical polymerization way. The molecularly imprinted SPME coatings display a high selectivity toward linezolid. Molecularly imprinted coatings showed a stable and reproducible response without any influence of interferents commonly existing in biological samples. High-performance liquid chromatography with spectroscopic UV and mass spectrometry (MS) detectors were used for the determination of selected antibiotic drugs (linezolid, daptomycin, amoxicillin). The isolation and preconcentration of selected antibiotic drugs from new types of biological samples (acellular and protein-free simulated body fluid) and human plasma samples were performed. The SPME MIP-coated fibers are suitable for the selective extraction of antibiotic drugs in biological samples. Content Type Journal Article Category Original Paper Pages 1-12 DOI 10.1007/s00216-012-5901-2 Authors Malgorzata Szultka, Department of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, Gagarin 7 Street, 87-100 Torun, Poland Jacek Szeliga, Department of General, Gastroenterological and Oncological Surgery, Collegium Medicum in Bydgoszcz, Nicolaus Copernicus University, Joseph Street 53-59, 85-067 Bydgoszcz, Poland Marek Jackowski, Department of General, Gastroenterological and Oncological Surgery, Collegium Medicum in Bydgoszcz, Nicolaus Copernicus University, Joseph Street 53-59, 85-067 Bydgoszcz, Poland Boguslaw Buszewski, Department of Environmental Chemistry and Bioanalytics, Faculty of Chemistry, Nicolaus Copernicus University, Gagarin 7 Street, 87-100 Torun, Poland Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung: Author(s): Marcos Rigol and Mark Srednicki An isolated quantum many-body system in an initial pure state will come to thermal equilibrium if it satisfies the eigenstate thermalization hypothesis (ETH). We consider alternatives to ETH that have been proposed. We first show that von Neumann’s quantum ergodic theorem relies on an assumption tha... [Phys. Rev. Lett. 108, 110601] Published Wed Mar 14, 2012

Beschreibung: Author(s): C. Ates, J. P. Garrahan, and I. Lesanovsky Thermalization has been shown to occur in a number of closed quantum many-body systems, but the description of the actual thermalization dynamics is prohibitively complex. Here, we present a model—in one and two dimensions—for which we can analytically show that the evolution into thermal equilibriu... [Phys. Rev. Lett. 108, 110603] Published Wed Mar 14, 2012

Beschreibung:    Anthocyanins are naturally occurring compounds that impart color to fruits, vegetables, and plants, and are believed to have a number of beneficial health effects in both humans and animals. Because of these properties, pharmacokinetic analysis of anthocyanins in tissue has been performed to quantify and identify anthocyanin species although, currently, no methods exist for investigating tissue localization of anthocyanin species or for elucidating the mechanisms of anthocyanin activity. Imaging mass spectrometry (IMS) is powerful tool for determining and visualizing the distribution of a wide range of biomolecules. To investigate whether anthocyanin species could be identified and visualized by IMS, we performed matrix-assisted laser desorption/ionization (MALDI)–IMS analysis, by tandem mass spectrometry (MALDI–IMS–MS), of ten anthocyanin molecular species in rabbiteye blueberry ( Vaccinium ashei ). The distribution patterns of each anthocyanin species were different in the exocarp and endocarp of blueberry sections. Anthocyanin species composed of delphinidin and petunidin were localized mainly in the exocarp. In contrast, those species composed of cyanidin, peonidin, and malvidin were localized in both the exocarp and the endocarp. Moreover, MALDI–IMS analysis of anthocyanidins in a blueberry section indicated that the distribution patterns of each anthocyanidin species were nearly identical with those of the corresponding anthocyanins. These results suggested that the different distribution patterns of anthocyanin species in the exocarp and endocarp depended on the aglycone rather than on the sugar moieties. This study is the first to visualize anthocyanin molecular species in fruits. Content Type Journal Article Category Original Paper Pages 1-11 DOI 10.1007/s00216-012-5876-z Authors Yukihiro Yoshimura, Department of Applied Biological Chemistry, Graduate School of Agriculture, Kinki University, 3327-204 Naka-machi, Nara, 631-8505 Japan Hirofumi Enomoto, Department of Biosciences, Faculty of Science and Engineering, Teikyo University, Utsunomiya, Tochigi 320-8551, Japan Tatsuya Moriyama, Department of Applied Biological Chemistry, Graduate School of Agriculture, Kinki University, 3327-204 Naka-machi, Nara, 631-8505 Japan Yukio Kawamura, Department of Applied Biological Chemistry, Graduate School of Agriculture, Kinki University, 3327-204 Naka-machi, Nara, 631-8505 Japan Mitsutoshi Setou, Department of Cell Biology and Anatomy, Hamamatsu University School of Medicine, 1-20-1 Handayama, Higashi-ku, Hamamatsu, Shizuoka 431-3192, Japan Nobuhiro Zaima, Department of Applied Biological Chemistry, Graduate School of Agriculture, Kinki University, 3327-204 Naka-machi, Nara, 631-8505 Japan Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung: Euroanalysis XVI—challenges in modern analytical chemistry Content Type Journal Article Category Editorial Pages 1-3 DOI 10.1007/s00216-012-5884-z Authors Slavica Ražić, Department of Analytical Chemistry, Faculty of Pharmacy, University of Belgrade, Vojvode Stepe 450, 11221 Belgrade, Serbia Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    Because cerebrospinal fluid (CSF) is the biofluid which interacts most closely with the central nervous system, it holds promise as a reporter of neurological disease, for example multiple sclerosis (MScl). To characterize the metabolomics profile of neuroinflammatory aspects of this disease we studied an animal model of MScl—experimental autoimmune/allergic encephalomyelitis (EAE). Because CSF also exchanges metabolites with blood via the blood–brain barrier, malfunctions occurring in the CNS may be reflected in the biochemical composition of blood plasma. The combination of blood plasma and CSF provides more complete information about the disease. Both biofluids can be studied by use of NMR spectroscopy. It is then necessary to perform combined analysis of the two different datasets. Mid-level data fusion was therefore applied to blood plasma and CSF datasets. First, relevant information was extracted from each biofluid dataset by use of linear support vector machine recursive feature elimination. The selected variables from each dataset were concatenated for joint analysis by partial least squares discriminant analysis (PLS-DA). The combined metabolomics information from plasma and CSF enables more efficient and reliable discrimination of the onset of EAE. Second, we introduced hierarchical models fusion, in which previously developed PLS-DA models are hierarchically combined. We show that this approach enables neuroinflamed rats (even on the day of onset) to be distinguished from either healthy or peripherally inflamed rats. Moreover, progression of EAE can be investigated because the model separates the onset and peak of the disease. Figure  Graphical representation of Hierarchical Models Fusion applied to concatenated plasma and CSF datasets. Content Type Journal Article Category Original Paper Pages 1-13 DOI 10.1007/s00216-012-5871-4 Authors Agnieszka Smolinska, Institute for Molecules and Materials, Analytical Chemistry/ Biophysical Chemistry, Radboud University Nijmegen, Heyendaalseweg 135, 6525 AJ Nijmegen, The Netherlands Joram M. Posma, Institute for Molecules and Materials, Analytical Chemistry/ Biophysical Chemistry, Radboud University Nijmegen, Heyendaalseweg 135, 6525 AJ Nijmegen, The Netherlands Lionel Blanchet, Institute for Molecules and Materials, Analytical Chemistry/ Biophysical Chemistry, Radboud University Nijmegen, Heyendaalseweg 135, 6525 AJ Nijmegen, The Netherlands Kirsten A. M. Ampt, Institute for Molecules and Materials, Analytical Chemistry/ Biophysical Chemistry, Radboud University Nijmegen, Heyendaalseweg 135, 6525 AJ Nijmegen, The Netherlands Amos Attali, Abbott Healthcare Products B.V., 1381 CP Weesp, The Netherlands Tinka Tuinstra, Abbott Healthcare Products B.V., 1381 CP Weesp, The Netherlands Theo Luider, Department of Neurology, Erasmus University Medical Centre, Rotterdam, 3015 CE Rotterdam, The Netherlands Marek Doskocz, Spinnovation Analytical, Toernooiveld 1, 6525 ED Nijmegen, The Netherlands Paul J. Michiels, Spinnovation Analytical, Toernooiveld 1, 6525 ED Nijmegen, The Netherlands Frederic C. Girard, Spinnovation Analytical, Toernooiveld 1, 6525 ED Nijmegen, The Netherlands Lutgarde M. C. Buydens, Institute for Molecules and Materials, Analytical Chemistry/ Biophysical Chemistry, Radboud University Nijmegen, Heyendaalseweg 135, 6525 AJ Nijmegen, The Netherlands Sybren S. Wijmenga, Institute for Molecules and Materials, Analytical Chemistry/ Biophysical Chemistry, Radboud University Nijmegen, Heyendaalseweg 135, 6525 AJ Nijmegen, The Netherlands Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    Chemotherapies feature a low success rate of about 25%, and therefore, the choice of the most effective cytostatic drug for the individual patient and monitoring the efficiency of an ongoing chemotherapy are important steps towards personalized therapy. Thereby, an objective method able to differentiate between treated and untreated cancer cells would be essential. In this study, we provide molecular insights into Docetaxel-induced effects in MCF-7 cells, as a model system for adenocarcinoma, by means of Raman microspectroscopy combined with powerful chemometric methods. The analysis of the Raman data is divided into two steps. In the first part, the morphology of cell organelles, e.g. the cell nucleus has been visualized by analysing the Raman spectra with k -means cluster analysis and artificial neural networks and compared to the histopathologic gold standard method hematoxylin and eosin staining. This comparison showed that Raman microscopy is capable of displaying the cell morphology; however, this is in contrast to hematoxylin and eosin staining label free and can therefore be applied potentially in vivo. Because Docetaxel is a drug acting within the cell nucleus, Raman spectra originating from the cell nucleus region were further investigated in a next step. Thereby we were able to differentiate treated from untreated MCF-7 cells and to quantify the cell–drug response by utilizing linear discriminant analysis models. Figure  Raman microspectroscopy in combination with powerful chemometric methods (e.g. artificial neural networks) indicates morphological (nucleus fragmentation) and spectral changes in Docetaxel treated breast cancer cells (MCF-7) in comparison to untreated cell samples Content Type Journal Article Category Original Paper Pages 1-9 DOI 10.1007/s00216-012-5887-9 Authors Katharina Hartmann, Institute of Physical Chemistry and Abbe Center of Photonics, University of Jena, Helmholtzweg 4, 07743 Jena, Germany Melanie Becker-Putsche, Institute of Physical Chemistry and Abbe Center of Photonics, University of Jena, Helmholtzweg 4, 07743 Jena, Germany Thomas Bocklitz, Institute of Physical Chemistry and Abbe Center of Photonics, University of Jena, Helmholtzweg 4, 07743 Jena, Germany Katharina Pachmann, Department of Hematology and Oncology, Clinic for Internal Medicine II, University Hospital Jena, 07740 Jena, Germany Axel Niendorf, Pathologie Hamburg-West, Institut für diagnostische Histopathologie und Zytologie, Lornsenstraße 4, 22767 Hamburg, Germany Petra Rösch, Institute of Physical Chemistry and Abbe Center of Photonics, University of Jena, Helmholtzweg 4, 07743 Jena, Germany Jürgen Popp, Institute of Physical Chemistry and Abbe Center of Photonics, University of Jena, Helmholtzweg 4, 07743 Jena, Germany Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    Botulinum neurotoxins (BoNTs) cause the disease botulism, which can be lethal if untreated. There are seven known serotypes of BoNT, A–G, defined by their response to antisera. Many serotypes are distinguished into differing subtypes based on amino acid sequence, and many subtypes are further differentiated into toxin variants. Previous work in our laboratory described the use of a proteomics approach to distinguish subtype BoNT/A1 from BoNT/A2 where BoNT identities were confirmed after searching data against a database containing protein sequences of all known BoNT/A subtypes. We now describe here a similar approach to differentiate subtypes BoNT/B1, /B2, /B3, /B4, and /B5. Additionally, to identify new subtypes or hitherto unpublished amino acid substitutions, we created an amino acid substitution database covering every possible amino acid change. We used this database to differentiate multiple toxin variants within subtypes of BoNT/B1 and B2. More importantly, with our amino acid substitution database, we were able to identify a novel BoNT/B subtype, designated here as BoNT/B7. These techniques allow for subtype and strain level identification of both known and unknown BoNT/B rapidly with no DNA required. Figure  Identification of an existing or new BoNT/B can be accomplished through MS/MS analysis of digestion fragments of the protein. Content Type Journal Article Category Original Paper Pages 1-12 DOI 10.1007/s00216-012-5767-3 Authors Suzanne R. Kalb, Centers for Disease Control and Prevention, National Center for Environmental Health, Division of Laboratory Sciences, 4770 Buford Hwy, N.E., Atlanta, GA 30341, USA Jakub Baudys, Centers for Disease Control and Prevention, National Center for Environmental Health, Division of Laboratory Sciences, 4770 Buford Hwy, N.E., Atlanta, GA 30341, USA Jon C. Rees, Centers for Disease Control and Prevention, National Center for Environmental Health, Division of Laboratory Sciences, 4770 Buford Hwy, N.E., Atlanta, GA 30341, USA Theresa J. Smith, Integrated Toxicology, United States Army Medical Research Institute of Infectious Diseases (USAMRIID), Fort Detrick, MD 21702, USA Leonard A. Smith, Office of the Chief Scientist, Medical Research and Materiel Command (MRMC), Fort Detrick, MD 21702, USA Charles H. Helma, Bioscience Division Los Alamos National Laboratory, Los Alamos, NM 87545, USA Karen Hill, Bioscience Division Los Alamos National Laboratory, Los Alamos, NM 87545, USA Skadi Kull, Robert Koch-Institut, Center for Biological Security, Microbial Toxins (ZBS3), 13353 Berlin, Germany Sebastian Kirchner, Robert Koch-Institut, Center for Biological Security, Microbial Toxins (ZBS3), 13353 Berlin, Germany Martin B. Dorner, Robert Koch-Institut, Center for Biological Security, Microbial Toxins (ZBS3), 13353 Berlin, Germany Brigitte G. Dorner, Robert Koch-Institut, Center for Biological Security, Microbial Toxins (ZBS3), 13353 Berlin, Germany James L. Pirkle, Centers for Disease Control and Prevention, National Center for Environmental Health, Division of Laboratory Sciences, 4770 Buford Hwy, N.E., Atlanta, GA 30341, USA John R. Barr, Centers for Disease Control and Prevention, National Center for Environmental Health, Division of Laboratory Sciences, 4770 Buford Hwy, N.E., Atlanta, GA 30341, USA Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    Two multi-analyte flow-through immunoassay formats for rapid detection of mycotoxins in a variety of food matrices (peanut cake, maize, and cassava flour) were developed and evaluated. The selected food matrices are typical staple foods and export products for most low-income communities around the world. The assay formats included gel-based and membrane-based flow-through assays and were based on the principle of indirect enzyme-linked immunosorbent assay. Using the same immunoreagents, the performance characteristics of both assays were compared. To the best of our knowledge, this is the first report on such a comparison. The gel-based format was developed to screen for ochratoxin A, fumonisin B 1 , deoxynivalenol, and zearalenone detection at cut-off values of 3, 1,250, 1,000, and 200 μg kg −1 , respectively, while the membrane-based format can be used to screen ochratoxin A, aflatoxin B 1, deoxynivalenol, and zearalenone at the following cut-offs: 3, 5, 700, and 175 μg kg −1 , respectively. The applicability of these assay formats was demonstrated by evaluating the performance characteristics of both tests through performing multiple experiments on different days. Both assays were further evaluated by analyzing naturally contaminated samples in the laboratory and also in the field under tropical conditions (Cameroon, West Africa). The false-negative rate with both formats was less than 5%, which is in good agreement with Commission Decision 2002/657/EC regarding the performance of analytical methods intended for screening purposes. Content Type Journal Article Category Original Paper Pages 1-14 DOI 10.1007/s00216-012-5803-3 Authors E. Njumbe Ediage, Laboratory of Food Analysis, Ghent University, Harelbekestraat 72, 9000 Gent, Belgium J. Diana Di Mavungu, Laboratory of Food Analysis, Ghent University, Harelbekestraat 72, 9000 Gent, Belgium I. Y. Goryacheva, Department of Common and Inorganic Chemistry, Chemistry Faculty, Saratov State University, Astrakhanskaya 83, 410012 Saratov, Russia C. Van Peteghem, Laboratory of Food Analysis, Ghent University, Harelbekestraat 72, 9000 Gent, Belgium S. De Saeger, Laboratory of Food Analysis, Ghent University, Harelbekestraat 72, 9000 Gent, Belgium Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    Three synthetic peptides, derived from the human potassium channel proteins Ether-a-go-go- related gene (HERG), KCNQ1, and KCNE1, were investigated by hydrogen deuterium exchange coupled with electron-transfer dissociation mass spectrometry at single residue resolution. Each amino acid residue in the first half of the HERG peptide incorporated deuterons with a higher rate than those in the second half of the peptide, consistent with the nuclear magnetic resonance structure of this peptide, with amino acids 1–10 being a flexible coil, whereas amino acids 11–24 are a stable amphipathic helix. The binding interface of KCNQ1 and KCNE1 was determined by comparing the difference of sequential fragment ions before and after binding. The residues determined to be involved in binding were consistent with a cysteine cross-linking study and confirmed by double mutant cycle analysis. Content Type Journal Article Category Original Paper Pages 1-7 DOI 10.1007/s00216-012-5857-2 Authors Jerri Chen, Department of Medicine, Albert Einstein College of Medicine, Bronx, NY 10461, USA Ruth Angeletti, Laboratory of Macromolecular Analysis and Proteomics, Albert Einstein College of Medicine, Bronx, NY 10461, USA Thomas V. McDonald, Department of Medicine, Albert Einstein College of Medicine, Bronx, NY 10461, USA Hui Xiao, Department of Pathology, Albert Einstein College of Medicine, Bronx, NY 10461, USA Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    The liquid chromatography–tandem mass spectrometry method (LC-MS/MS) was developed and validated to detect androgenic steroids: trenbolone, nortestosterone, boldenone, methylboldenone, testosterone, methyltestosterone, 17β-1-testosterone and their metabolites in bovine urine. Sample preparation before LC-MS/MS analysis involved an enzymatic hydrolysis with glucuronidase AS-HP, isolation of free hormones from urine on C 18 SPE column and purification of the extract using liquid–liquid extraction with n -pentane and SPE NH 2 column. For the chromatographic separation of steroids, the Poroshell 120-EC C18 column (150 × 2.1 mm, 2.7 μm) was used. Mass spectrometric measurement was achieved using the API 4000 triple quadrupole (QqQ) instrument with a TurboIon-Spray source operating in positive electrospray ionization mode. The procedure was validated according to the Decision 2002/657/EC. Recovery ranged from 76.5% to 118.9% for all examined compounds. The repeatability was below 20% and reproducibility did not exceed the 25%. The linearity was good for all analytes in the whole range of tested concentrations, as proved by the correlation coefficients greater than 0.99. The decision limit (CCα) ranged from 0.10 to 0.17 μg L −1 for all analytes, whereas the detection capability (CCβ) ranged from 0.17 to 0.29 μg L −1 . The application of an innovative Poroshell column allowed for very good chromatographic separation of steroids with a much shorter time of analysis. Figure  MRM chromatogram of 30 ng of androgenic steroids Content Type Journal Article Category Original Paper Pages 1-8 DOI 10.1007/s00216-012-5859-0 Authors Barbara Wozniak, Department of Pharmacology and Toxicology, National Veterinary Research Institute, 24-100 Pulawy, Poland Iwona Matraszek-Zuchowska, Department of Pharmacology and Toxicology, National Veterinary Research Institute, 24-100 Pulawy, Poland Jan Zmudzki, Department of Pharmacology and Toxicology, National Veterinary Research Institute, 24-100 Pulawy, Poland Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    The Consultative committee for amount of substance-metrology in chemistry (CCQM)-K80 Key Comparison directly assessed the equivalence of many of the world’s higher-order value-assigned materials (HOVAMs) for creatinine in human serum. This 2009 international study compared the certified values and uncertainties of the materials using measurements made under repeatability conditions. The study evaluated 17 materials submitted by 6 national metrology institutes (NMIs). The creatinine quantity in these materials ranged from 3 mg/kg to 57 mg/kg (about 0.3 mg/dL to 6 mg/dL or 30 nmol/L to 500 nmol/L). All materials were stored and prepared according the specifications provided by the participating NMIs. Samples were processed and analyzed under repeatability conditions by one analyst using isotope-dilution liquid chromatography–mass spectrometry in two measurement campaigns. The certified values and repeatability measurements were compared using uncertainty-weighted generalized distance regression. The instrumental repeatability relative standard deviation was 1.2%. The measurement design required assessment of within-unit and between-campaign variability in addition to measurement repeatability. At a 95% level of confidence, the certified values for all 17 materials agreed to within their assigned uncertainties. CCQM-K80 demonstrated the metrological equivalence of the currently available HOVAMs for creatinine in human serum and of the creatinine measurement services provided by the participating NMIs. Content Type Journal Article Category Original Paper Pages 1-9 DOI 10.1007/s00216-012-5869-y Authors Johanna E. Camara, Analytical Chemistry Division, National Institute of Standards and Technology (NIST), 100 Bureau Drive, MS 8392, Gaithersburg, MD 20899-6392, USA Katrice A. Lippa, Analytical Chemistry Division, National Institute of Standards and Technology (NIST), 100 Bureau Drive, MS 8392, Gaithersburg, MD 20899-6392, USA David L. Duewer, Analytical Chemistry Division, National Institute of Standards and Technology (NIST), 100 Bureau Drive, MS 8392, Gaithersburg, MD 20899-6392, USA Hugo Gasca-Aragon, Analytical Chemistry Division, National Institute of Standards and Technology (NIST), 100 Bureau Drive, MS 8392, Gaithersburg, MD 20899-6392, USA Blaza Toman, Statistical Engineering Division, National Institute of Standards and Technology (NIST), Gaithersburg, MD 20899-8980, USA Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    We investigated the ageing of amine-terminated self-assembled monolayers (amine-SAMs) on different silica substrates due to exposure to different ambient gases, pressures, and/or temperatures using time-of-flight secondary ion mass spectrometry (ToF-SIMS) with principal component analysis and complementary methods of surface analysis as X-ray photoelectron spectroscopy (XPS) and near edge X-ray absorption fine structure (NEXAFS). The goal of this study is to examine the durability of primary amine groups of amine-SAMs stored in a user laboratory prior to being used as supports for biomolecule immobilization and other applications. We prepared amine-SAMs on the native oxides of silicon wafers and glass slides using 3-aminopropyl triethoxysilane, by using optimized conditions such as anhydrous organic solvent and reaction time scale of hours to avoid multilayer growth. Selected commercial amine-SAM slides have been investigated, too. When the amine-SAMs are exposed to air, oxygen incorporation occurs, followed by formation of amide groups. The formation of oxygen species due to ageing was proved by ToF-SIMS, XPS, and NEXAFS findings such as CNO − secondary ion emission at m/z 42, observation of the N 1s HNC=O component peak at 400.2–400.3 eV in XPS, and, last but not least, by formation of a π*(HNC=O) resonance at 401 eV in the N K-edge X-ray absorption spectrum. It is concluded that the used multi-method approach comprising complementary ToF-SIMS, XPS, and NEXAFS analyses is well suited for a thorough study of chemical aspects of ageing phenomena of amine-SAM surfaces. Content Type Journal Article Category Original Paper Pages 1-11 DOI 10.1007/s00216-012-5862-5 Authors Hyegeun Min, Surface and Thin Film Analysis WG, BAM Federal Institute for Materials Research and Testing, 12200 Berlin, Germany Pierre-Luc Girard-Lauriault, Surface and Thin Film Analysis WG, BAM Federal Institute for Materials Research and Testing, 12200 Berlin, Germany Thomas Gross, Surface and Thin Film Analysis WG, BAM Federal Institute for Materials Research and Testing, 12200 Berlin, Germany Andreas Lippitz, Surface and Thin Film Analysis WG, BAM Federal Institute for Materials Research and Testing, 12200 Berlin, Germany Paul Dietrich, Surface and Thin Film Analysis WG, BAM Federal Institute for Materials Research and Testing, 12200 Berlin, Germany Wolfgang E. S. Unger, Surface and Thin Film Analysis WG, BAM Federal Institute for Materials Research and Testing, 12200 Berlin, Germany Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    In this study, single and dual labeling of primary amino and thiol groups of target peptides is presented as a proof of concept. The proposed method allows flexible, independent and sequential labeling of the mentioned residues using lanthanides introduced via DOTA-complexes (1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid). The efficiency of the method was optimized using cysteine-containing standard peptides and then applied to bovine serum albumin (BSA) and human serum albumin (HSA) to demonstrate qualitative and quantitative aspects of this strategy. For amino labeling, cysteinyl peptides were immobilized on Sepharose-6B resin and labeled with DOTA-NHS ester followed by metallation with lanthanides. Thiol labeling was carried out using lanthanide-containing metal-coded affinity tags (MeCAT) after elution of peptides from the resin. Complete dual labeling of the standard peptides was demonstrated by liquid chromatography electrospray ionization mass spectrometry, whereas more than 80 % of the detected peptides of BSA and HSA were completely dual-labeled. Parallel detection by LC coupled to inductively coupled plasma mass spectrometry (ICP-MS) delivered reliable quantitative information. Thus, the versatile lanthanide choice in both labeling steps allowed estimating primary amino and thiol stoichiometries for the studied samples using different lanthanides. On the other hand, enhancement of ICP-MS signal was achieved as expected when all positions were labeled with the same lanthanide. Finally, linear calibrations of the signal for most of the labeled peptides by standard additions of digested BSA showed a suitable behaviour for quantitative applications and demonstrated the pre-concentration capability of the employed resin. Figure    Content Type Journal Article Category Paper in Forefront Pages 1-13 DOI 10.1007/s00216-012-5910-1 Authors Ahmed H. El-Khatib, Department of Chemistry, Humboldt-Universitaet zu Berlin, Brook-Taylor Str. 2, 12489 Berlin, Germany Diego Esteban-Fernández, Department of Chemistry, Humboldt-Universitaet zu Berlin, Brook-Taylor Str. 2, 12489 Berlin, Germany Michael W. Linscheid, Department of Chemistry, Humboldt-Universitaet zu Berlin, Brook-Taylor Str. 2, 12489 Berlin, Germany Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    Paper-based artworks are among the most valuable assets for transmission of knowledge. Historical paper is composed of different polysaccharides (e.g. cellulose), binders, and glues. During aging all of these components undergo several degradation processes, as a result of external and intrinsic causes, and these can compromise the state of conservation of the document. In this work, application of a new biotechnological strategy for paper artefact preservation is reported. By making use of innovative and non-invasive materials, for example appropriate hydrogels, in combination with selective electrochemical biosensors, it is possible to simultaneously verify the degradation condition of the paper artwork and then to efficiently clean it, while monitoring the process of removal of both pollution and degradation products. In this paper, we focus on specific examples in which such techniques have been applied to paper artworks and that illustrate the advantages and potential of this biotechnology compared with the traditional paper-cleaning methods currently in use. Figure  Scheme of cleaning treatment of old paper and determination of the interested analyte using Flow Injection Analysis system (FIA) with integrated electrochemical biosensor Content Type Journal Article Category Trends Pages 1-5 DOI 10.1007/s00216-012-5885-y Authors Laura Micheli, Department of Chemical Sciences and Technologies, University of Rome “Tor Vergata”, Via della Ricerca Scientifica, 00173 Rome, Italy Claudia Mazzuca, Department of Chemical Sciences and Technologies, University of Rome “Tor Vergata”, Via della Ricerca Scientifica, 00173 Rome, Italy Antonio Palleschi, Department of Chemical Sciences and Technologies, University of Rome “Tor Vergata”, Via della Ricerca Scientifica, 00173 Rome, Italy Giuseppe Palleschi, Department of Chemical Sciences and Technologies, University of Rome “Tor Vergata”, Via della Ricerca Scientifica, 00173 Rome, Italy Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    Previously developed estrogen and androgen mammalian reporter gene assays (RGAs) were assessed for their potential use as a quantitative screening method in the detection of estrogenic and androgenic endocrine disruptors (EDs) in sport supplements. The validation of both RGAs coupled with dispersive solid phase extraction (dSPE) was performed in accordance with European Commission Decision EC/ 2002 /6579 for biological screening methods. Decision limits ( CCα ) and detection capabilities ( CCβ ) were established for both the estrogen and androgen RGAs. All samples were compliant with CCα and CCβ in both bioassays. Recovery rates were 96 % for 17β-estradiol and 115 % for dihydrotestosterone as obtained in their corresponding RGA. Both estrogens and androgens were stable in samples for more than 3 weeks, when stored at −20 °C. Specificity, good repeatability (coefficients of variation (CV), 12–25 %), reproducibility and robustness of both bioassays were also observed. Four different ED modes of action were determined for estrogens and androgens in 53 sport supplements, using the validated RGAs. This study revealed that 89 % of the investigated sport supplements contained estrogenic EDs and 51 % contained androgenic compounds. In conclusion, both bioassays are suitable for sport supplement screening of estrogenic and androgenic EDs. Content Type Journal Article Category Original Paper Pages 1-11 DOI 10.1007/s00216-012-5905-y Authors Monika Plotan, Institute of Agri-Food and Land Use, School of Biological Sciences, Queen’s University Belfast, Belfast, BT95AG Northern Ireland, UK Christopher T. Elliott, Institute of Agri-Food and Land Use, School of Biological Sciences, Queen’s University Belfast, Belfast, BT95AG Northern Ireland, UK Michalina Oplatowska, Institute of Agri-Food and Land Use, School of Biological Sciences, Queen’s University Belfast, Belfast, BT95AG Northern Ireland, UK Lisa Connolly, Institute of Agri-Food and Land Use, School of Biological Sciences, Queen’s University Belfast, Belfast, BT95AG Northern Ireland, UK Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    Nanoparticles (NPs) of SiO 2 (15 nm) or Ag (20 – 40 nm) were dispersed in water, coffee and milk at several aqueous dilutions. The NPs dispersions concentrations were quantified with an ion beam technique: Particle-Induced X-ray Emission. Additional measurements in relation to the state of the NPs dispersions were done: particle size distribution by centrifuge liquid sedimentation and the extreme surface composition by X-ray photoelectron spectroscopy. The particle size distribution of SiO 2 and Ag NPs dispersions in water and Ag NPs in coffee remained mostly as primary particles with hydrodynamic diameters close to the reported pristine NPs diameter. SiO 2 NPs agglomerated in coffee. In milk, both NPs presented an adsorption with milk lipids. Extreme surface composition corroborated adsorption in milk and showed that SiO 2 agglomerates adsorb some coffee components. A linear tendency in the measurement of the concentration dilutions of all dispersions was measured, and a lack of media influence in the slope of each curve was found. Limits of detection with the current setup were estimated at 0.5 and 0.3 mg/ml for SiO 2 and Ag NPs, respectively. Content Type Journal Article Category Original Paper Pages 1-7 DOI 10.1007/s00216-012-5895-9 Authors Omar Lozano, Research Centre for the Physics of Matter and Radiation (PMR-LARN), Namur Research Institute for LIfe Sciences (NARILIS), University of Namur (FUNDP), Rue de Bruxelles 61, 500 Namur, Belgium Jorge Mejia, Research Centre for the Physics of Matter and Radiation (PMR-LARN), Namur Research Institute for LIfe Sciences (NARILIS), University of Namur (FUNDP), Rue de Bruxelles 61, 500 Namur, Belgium Tijani Tabarrant, Research Centre for the Physics of Matter and Radiation (PMR-LARN), Namur Research Institute for LIfe Sciences (NARILIS), University of Namur (FUNDP), Rue de Bruxelles 61, 500 Namur, Belgium Bernard Masereel, Department of Pharmacy, Drug Design & Discovery Center (D3C), Namur Research Institute for LIfe Sciences (NARILIS), University of Namur (FUNDP), Rue de Bruxelles 61, 500 Namur, Belgium Jean-Michel Dogné, Department of Pharmacy, Drug Design & Discovery Center (D3C), Namur Research Institute for LIfe Sciences (NARILIS), University of Namur (FUNDP), Rue de Bruxelles 61, 500 Namur, Belgium Olivier Toussaint, Laboratory of Biochemistry and Cellular Biology (URBC), Namur Research Institute for LIfe Sciences (NARILIS), University of Namur (FUNDP), Rue de Bruxelles 61, 500 Namur, Belgium Stéphane Lucas, Research Centre for the Physics of Matter and Radiation (PMR-LARN), Namur Research Institute for LIfe Sciences (NARILIS), University of Namur (FUNDP), Rue de Bruxelles 61, 500 Namur, Belgium Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    The use of pharmaceuticals in livestock production is a potential source of surface water, groundwater and soil contamination. Possible impacts of antibiotics on the environment include toxicity and the emergence of antibiotic resistance. Monitoring programs are required to record the presence of these substances in the environment. A rapid, versatile and selective multi-method was developed and validated for screening 43 pharmaceutical and fungicides compounds, in surface and groundwater, in one single full-scan MS method, using benchtop U-HPLC–Exactive Orbitrap MS at 50,000 (FWHM) resolution. Detection was based on calculated exact masses and on retention time. Sample volume, pH conditions and solid-phase extraction (SPE) sample clean-up conditions were optimized. In the final method, 74 % of the compounds had recoveries higher than 80 %, 15 % of the compounds had recoveries between 60 % and 80 %, and 7 % of the compounds had recoveries between 40 % and 50 %. One of the compounds (itraconazole) had a recovery lower than 10 % and nystatin was not detected. The level of detection was 10 ng L −1 for 61 % of the compounds, 50 ng L −1 for 32 % and 100 ng L −1 for 5%. In-house validation, based on EU guidelines, proves that the detection capability CCβ is lower than 10 ng L −1 (for β error 5 %) for 37 % of the compounds, lower than 50 ng L −1 for 35 % of the compounds and lower than 100 ng L −1 for 14 % of compounds. This study demonstrates that the ultra-high resolution and reliable mass accuracy of Exactive Orbitrap MS permits the detection of pharmaceutical residues in a concentration range of 10–100 ng L −1 , applying a post target screening approach, in the multi-method conditions. Content Type Journal Article Category Original Paper Pages 1-15 DOI 10.1007/s00216-012-5888-8 Authors Carmen Lidia Chitescu, Faculty of Food Science and Engineering, “Dunarea de Jos” University of Galaţi, Str. Domnească 111, 800201 Galaţi, Romania Efraim Oosterink, RIKILT – Wageningen University and Research, P.O. Box 230, 6700 AE Wageningen, The Netherlands Jacob de Jong, RIKILT – Wageningen University and Research, P.O. Box 230, 6700 AE Wageningen, The Netherlands Alida Adriana Maria (Linda) Stolker, RIKILT – Wageningen University and Research, P.O. Box 230, 6700 AE Wageningen, The Netherlands Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung: 16th Conference on Solid State Analysis Content Type Journal Article Category Editorial Pages 1-2 DOI 10.1007/s00216-012-5886-x Authors Gernot Friedbacher, Institute of Chemical Technologies and Analytics, Division of Instrumental Analytical Chemistry, Vienna University of Technology, Getreidemarkt 9/164-IAC, 1060 Vienna, Austria Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    A method based on in-source collision-induced dissociation (ISCID) liquid chromatography time-of-flight mass spectrometry (LC-TOFMS) and reverse target database search was developed and evaluated for drug screening and confirmation in analytical toxicology context. An established LC-TOFMS screening method, in which identification relies solely on protonated molecule accurate mass measurement, isotopic pattern fit, and retention time (RT), was completed to include 1–3 qualifier ions for each analyte in the database. The qualifier ions for 431 compounds were selected from the experimental ISCID spectra, and their molecular formulae were assigned by applying SmartFormula3D and MSFragmenter software. Three qualifier ions were assigned for 64.5%, two or three for 81.4%, one for 14.8%, and none for 3.7% of the compounds studied. Comparison between ISCID LC-TOFMS and LC-TOFMS with 25 authentic autopsy urine samples showed an improved confidence level with the ISCID method, as isomeric interferences were excluded in most cases. However, some false negative (FN) results were obtained at low concentration levels close to the reporting criteria. The cut-off concentration of the ISCID method was 10–100 ng/mL with 80% of the 49 representative compounds tested, and the level was approximately two times higher than that obtained by LC ion trap MS. The presented method enables simultaneous screening and confirmation whenever at least one qualifier ion is available, as applying an accurate mass precursor ion and one product ion surpasses the standard of four identification points that is required by the current EU protocol. Content Type Journal Article Category Original Paper Pages 1-14 DOI 10.1007/s00216-012-5889-7 Authors Ana de Castro, Institute of Forensic Sciences, Faculty of Medicine, San Francisco, s/n, 15782 Santiago de Compostela, Spain Merja Gergov, Hjelt Institute, Department of Forensic Medicine, University of Helsinki, PO Box 40, 00014 Helsinki, Finland Pekka Östman, Hjelt Institute, Department of Forensic Medicine, University of Helsinki, PO Box 40, 00014 Helsinki, Finland Ilkka Ojanperä, Hjelt Institute, Department of Forensic Medicine, University of Helsinki, PO Box 40, 00014 Helsinki, Finland Anna Pelander, Hjelt Institute, Department of Forensic Medicine, University of Helsinki, PO Box 40, 00014 Helsinki, Finland Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung: Author(s): Sania Jevtic, David Jennings, and Terry Rudolph The amount of correlation attainable between the components of a quantum system is constrained if the system is closed. We provide some examples, largely from the field of quantum thermodynamics, where knowing the maximal possible variation in correlations is useful. The optimization problem it rais... [Phys. Rev. Lett. 108, 110403] Published Wed Mar 14, 2012

Beschreibung:    A UPLC-ESI-MS/MS method has been developed and validated for the determination of larotaxel in beagle dog plasma. After addition of the internal standard, plasma samples were extracted by liquid–liquid extraction with methyl tert-butyl ether and separated on a 50 × 2.1 mm ACQUITY 1.7 μm C 18 column (Waters, USA), with acetonitrile and 5 mM ammonium acetate as mobile phase, within a runtime of 3.0 min. The analytes were detected without interference in Multiple Reaction Monitoring mode with positive electrospray ionization. The linear range was 2.5–5,000 ng/mL. The intra-day and inter-day precisions (relative standard deviation, RSD, %) were within 9.3% and 10.2%, respectively, and the accuracy (relative error, RE, %) was less than 11.5%. The validated method was successfully applied to a pharmacokinetic study of larotaxel in beagle dogs after intravenous administration of larotaxel-loaded lipid microsphere with different doses of 0.4, 0.8, and 1.6 mg/kg. The area under the concentration–time curve and the peak concentration of larotaxel seemed to increase with increasing dose proportionally, suggesting linear pharmacokinetics. Figure  The concentration–time curves of larotaxel in beagle dog plasma after intravenous administration of LTX-LM at different doses of 0.4, 0.8, and 1.6 mg/kg Content Type Journal Article Category Original Paper Pages 1-8 DOI 10.1007/s00216-012-5763-7 Authors Zhenzhen Liu, School of Pharmacy, Shenyang Pharmaceutical University, 103 Wenhua Road, Shenyang, 110016 China Bo Zhang, School of Pharmacy, Liaoning University of Traditional Chinese Medicine, Shenyang, 110032 China Zhihong Liu, School of Pharmacy, Shenyang Pharmaceutical University, 103 Wenhua Road, Shenyang, 110016 China Song Li, School of Pharmacy, Shenyang Pharmaceutical University, 103 Wenhua Road, Shenyang, 110016 China Guofei Li, School of Pharmacy, Shenyang Pharmaceutical University, 103 Wenhua Road, Shenyang, 110016 China Lulu Geng, School of Pharmacy, Shenyang Pharmaceutical University, 103 Wenhua Road, Shenyang, 110016 China Xu Zhao, School of Pharmacy, Shenyang Pharmaceutical University, 103 Wenhua Road, Shenyang, 110016 China Kaishun Bi, School of Pharmacy, Shenyang Pharmaceutical University, 103 Wenhua Road, Shenyang, 110016 China Xing Tang, School of Pharmacy, Shenyang Pharmaceutical University, 103 Wenhua Road, Shenyang, 110016 China Xiaohui Chen, School of Pharmacy, Shenyang Pharmaceutical University, 103 Wenhua Road, Shenyang, 110016 China Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    The use of Fourier transform infrared spectromicroscopy and mass spectrometry (MS) allowed us to characterize the composition of polar and non-polar binders present in sporadic wall paint fragments taken from Pompeii’s archaeological excavation. The analyses of the polar and non-polar binder components extracted from paint powder layer showed the presence of amino acids, sugars, and fatty acids but the absence of proteinaceous material. These results are consistent with a water tempera painting mixture composed of pigments, flours, gums, and oils and are in agreement with those obtained from a simulated wall paint sample made for mimicking an ancient “a secco” technique. Notably, for the first time, we report the capability to discriminate by tandem MS the presence of free amino acids in the paint layer. Content Type Journal Article Category Technical Note Pages 1-6 DOI 10.1007/s00216-012-5746-8 Authors Gaetano Corso, Dipartimento di Biochimica e Biotecnologie Mediche, Università di Napoli Federico II, Via S. Pansini, 5-80131 Napoli, Italy Monica Gelzo, Dipartimento di Biochimica e Biotecnologie Mediche, Università di Napoli Federico II, Via S. Pansini, 5-80131 Napoli, Italy Carmen Sanges, Dipartimento di Biochimica e Biotecnologie Mediche, Università di Napoli Federico II, Via S. Pansini, 5-80131 Napoli, Italy Angela Chambery, Dipartimento di Scienze per la Vita, Seconda Università di Napoli, Via Vivaldi 43, 81100 Caserta, Italy Antimo Di Maro, Dipartimento di Scienze per la Vita, Seconda Università di Napoli, Via Vivaldi 43, 81100 Caserta, Italy Valeria Severino, Dipartimento di Scienze per la Vita, Seconda Università di Napoli, Via Vivaldi 43, 81100 Caserta, Italy Antonio Dello Russo, Dipartimento di Biochimica e Biotecnologie Mediche, Università di Napoli Federico II, Via S. Pansini, 5-80131 Napoli, Italy Ciro Piccioli, Accademia di Belle Arti di Napoli, Via Costantinopoli, 107-80138 Napoli, Italy Paolo Arcari, Dipartimento di Biochimica e Biotecnologie Mediche, Università di Napoli Federico II, Via S. Pansini, 5-80131 Napoli, Italy Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung: Mass spectrometry: Fifth meeting of the Spanish Society of Mass Spectrometry (SEEM) Content Type Journal Article Category Editorial Pages 1-2 DOI 10.1007/s00216-011-5690-z Authors José M. Vadillo, Department of Analytical Chemistry, University of Málaga, 29071 Málaga, Spain Damià Barceló, Catalan Institute for Water Research (ICRA), Parc Cientific i Tecnològic de la Universitat de Girona, Pic de Peguera 15, 17003 Girona, Spain Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    The degradation of two β-blockers (atenolol and propranolol) and one β-receptor agonist (salbutamol) during water chlorination was investigated by liquid chromatography–mass spectrometry (LC-MS). An accurate-mass quadrupole time-of-flight system (QTOF) was used to follow the time course of the pharmaceuticals and also used in the identification of the by-products. The degradation kinetics of these drugs was investigated at different concentrations of chlorine, bromide and sample pH by means of a Box–Behnken experimental design. Depending on these factors, dissipation half-lives varied in the ranges 68–145 h for atenolol, 1.3–33 min for salbutamol and 42–8362 min for propranolol. Normally, an increase in chlorine dosage and pH resulted in faster degradation of these pharmaceuticals. Moreover, the presence of bromide in water samples also resulted in a faster transformation of atenolol at low chlorine doses. The use of an accurate-mass high-resolution LC-QTOF-MS system permitted the identification of a total of 14 by-products. The transformation pathway of β-blockers/agonists consisted mainly of halogenations, hydroxylations and dealkylations. Also, many of these by-products are stable, depending on the chlorination operational parameters employed. Content Type Journal Article Category Original Paper Pages 1-11 DOI 10.1007/s00216-011-5707-7 Authors José Benito Quintana, Department of Analytical Chemistry, Nutrition and Food Science, IIAA—Institute for Food Analysis and Research, University of Santiago de Compostela, 15782 Santiago de Compostela, Spain Rosario Rodil, Department of Analytical Chemistry, Nutrition and Food Science, IIAA—Institute for Food Analysis and Research, University of Santiago de Compostela, 15782 Santiago de Compostela, Spain Rafael Cela, Department of Analytical Chemistry, Nutrition and Food Science, IIAA—Institute for Food Analysis and Research, University of Santiago de Compostela, 15782 Santiago de Compostela, Spain Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    Triclosan, an antibacterial and antifungal agent, is widely used in household and personal care products, processed foods and food packaging, etc., and thus also released into the environment. Triclosan is acutely and chronically toxic to aquatic organisms and bioaccumulates in fish tissue. Here, we propose a new miniaturized triclosan extraction method for aqueous and fish roe samples, based on the use of a vortex mixer and an ultrasonic probe, respectively, and useful for triclosan determination by gas chromatography coupled to a micro electron capture detector. Different solvents for extraction and sorbents for clean-up purposes were tested. Multivariate optimization of the variables affecting ultrasonic extraction (ultrasound radiation amplitude, sonication time, sample temperature, and the ratio of sample amount and extracting volume) was carried out. Solvent extraction using ethyl acetate and further clean-up with mixed bed cartridges with two layers of Florisil® and Florisil® impregnated with 10% sulfuric acid only for fish roe samples was finally selected. Extraction efficiencies of up to 95% and 90%, and detection limits of 0.165 ng ml −1 and 2.7 ng g −1 for aqueous and fish roe samples were obtained, respectively. The optimized method was used in bioconcentration studies with zebrafish larvae ( Danio rerio ), as an alternative method to the Organization for Economic Cooperation and Development technical guideline 305. Bioconcentration values, BCF = 2,630 and 2,018 at exposure concentrations of 30 and 3 μg L −1 , respectively, were assessed. These results are in agreement with those reported in the literature, showing the feasibility of the method for estimation of toxicokinetic parameters and bioconcentration factors using zebrafish larvae instead of adult fishes, reducing considerable animal testing, as suggested by the European legislation. Content Type Journal Article Category Original Paper Pages 1-11 DOI 10.1007/s00216-012-5713-4 Authors R. Gonzalo-Lumbreras, Department of Analytical Chemistry, Faculty of Chemistry, Universidad Complutense Madrid, Ciudad Universitaria, 28040 Madrid, Spain J. Sanz-Landaluze, Department of Analytical Chemistry, Faculty of Chemistry, Universidad Complutense Madrid, Ciudad Universitaria, 28040 Madrid, Spain J. Guinea, Zf BioLabs, Ronda de Valdecarrizo 41º B. 28760. Tres Cantos, Madrid, Spain C. Cámara, Department of Analytical Chemistry, Faculty of Chemistry, Universidad Complutense Madrid, Ciudad Universitaria, 28040 Madrid, Spain Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    Traditional activity-guided fractionation of natural products is a time-consuming, labor intensive, and expensive strategy, which cannot compete with high-throughput and rapid screening of natural products. Therefore, more efficient approaches are necessary for searching active compounds from natural products. Three main methods based on high-performance liquid chromatography (HPLC) analysis combined with 2,2′-diphenyl-1-picrylhydrazyl (DPPH) assay, DPPH spiking HPLC analysis, on-line post-column HPLC-DPPH analysis, and HPLC-based DPPH activity profiling, were then developed for the rapid screening of antioxidants from complex mixtures. In the present study, a comparative study of these three methods has been conducted to identify antioxidants from an ethyl acetate fraction of Pueraria lobata flowers. The parameters in HPLC analysis and DPPH assay were optimized. The results indicated that all three methods could achieve similar information with regard to antioxidants, without the need for preparative isolation techniques. However, there were differences in instrumental set-up, sensitivity, and efficiency. DPPH spiking HPLC analysis seemed to be more sensitive and effective with simpler instrumental set-up and easier operation, which could also detect the total antioxidant capacity of color complexes. Eighteen antioxidants were tentatively screened and identified from P. lobata flowers by DPPH spiking HPLC-MS/MS. Among them, ten compounds including one new compound were first isolated from P. lobata flowers, and the DPPH radical scavenging activity of the new compound was reported for the first time. Content Type Journal Article Category Original Paper Pages 1-12 DOI 10.1007/s00216-012-5722-3 Authors Yu-Ping Zhang, State Key Laboratory of Powder Metallurgy, Central South University, Changsha, 410083 China Shu-Yun Shi, State Key Laboratory of Powder Metallurgy, Central South University, Changsha, 410083 China Xiang Xiong, State Key Laboratory of Powder Metallurgy, Central South University, Changsha, 410083 China Xiao-Qing Chen, School of Chemistry and Chemical Engineering, Central South University, Changsha, 410083 China Mi-Jun Peng, Key Laboratory of Hunan Forest Products and Chemical Industry Engineering, Jishou University, Zhangjiajie, 427000 China Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung:    Clinical and forensic toxicology and doping control deal with hundreds or thousands of drugs that may cause poisoning or are abused, are illicit, or are prohibited in sports. Rapid and reliable screening for all these compounds of different chemical and pharmaceutical nature, preferably in a single analytical method, is a substantial effort for analytical toxicologists. Combined chromatography–mass spectrometry techniques with standardised reference libraries have been most commonly used for the purpose. In the last ten years, the focus has shifted from gas chromatography–mass spectrometry to liquid chromatography–mass spectrometry, because of progress in instrument technology and partly because of the polarity and low volatility of many new relevant substances. High-resolution mass spectrometry (HRMS), which enables accurate mass measurement at high resolving power, has recently evolved to the stage that is rapidly causing a shift from unit-resolution, quadrupole-dominated instrumentation. The main HRMS techniques today are time-of-flight mass spectrometry and Orbitrap Fourier-transform mass spectrometry. Both techniques enable a range of different drug-screening strategies that essentially rely on measuring a compound’s or a fragment’s mass with sufficiently high accuracy that its elemental composition can be determined directly. Accurate mass and isotopic pattern acts as a filter for confirming the identity of a compound or even identification of an unknown. High mass resolution is essential for improving confidence in accurate mass results in the analysis of complex biological samples. This review discusses recent applications of HRMS in analytical toxicology. Content Type Journal Article Category Review Pages 1-18 DOI 10.1007/s00216-012-5726-z Authors Ilkka Ojanperä, Hjelt Institute, Department of Forensic Medicine, Forensic Toxicology Division, University of Helsinki, P.O. Box 40, 00014 Helsinki, Finland Marjo Kolmonen, Hjelt Institute, Department of Forensic Medicine, Forensic Toxicology Division, University of Helsinki, P.O. Box 40, 00014 Helsinki, Finland Anna Pelander, Hjelt Institute, Department of Forensic Medicine, Forensic Toxicology Division, University of Helsinki, P.O. Box 40, 00014 Helsinki, Finland Journal Analytical and Bioanalytical Chemistry Online ISSN 1618-2650 Print ISSN 1618-2642

Beschreibung: Author(s): Rok Žitko, Jernej Mravlje, and Kristjan Haule We resolve the controversy regarding the ground state of the parallel double quantum dot system near half filling. The numerical renormalization group predicts an underscreened Kondo state with residual spin- 1/2 magnetic moment, ln⁡2 residual impurity entropy, and unitary conductance, while the Beth... [Phys. Rev. Lett. 108, 066602] Published Wed Feb 08, 2012

Beschreibung: Author(s): Xiaoran Li, Andrey Kadashchuk, Ivan I. Fishchuk, Wiljan T. T. Smaal, Gerwin Gelinck, Dirk J. Broer, Jan Genoe, Paul Heremans, and Heinz Bässler While it is known that the charge-carrier mobility in organic semiconductors is only weakly dependent on the electric field at low fields, the experimental mobility in organic field-effect transistors using silylethynyl-substituted pentacene is found to be surprisingly field dependent at low source-... [Phys. Rev. Lett. 108, 066601] Published Wed Feb 08, 2012

Beschreibung: Author(s): Guoliang Liu, Abelardo Ramírez-Hernández, Hiroshi Yoshida, Kim Nygård, Dillip K. Satapathy, Oliver Bunk, Juan J. de Pablo, and Paul F. Nealey The structure of block copolymers results from the interplay between weak intermolecular forces, typically in the order of k B T per molecule. This is particularly true for block copolymer thin films in the presence of chemically patterned surfaces, where the different contributions to the total free ... [Phys. Rev. Lett. 108, 065502] Published Wed Feb 08, 2012

Beschreibung: Author(s): Frank Krüger, Una Karahasanovic, and Andrew G. Green The vicinity of quantum phase transitions has proven fertile ground in the search for new quantum phases. We propose a physically motivated and unifying description of phase reconstruction near metallic quantum-critical points using the idea of quantum order by disorder. Certain deformations of the ... [Phys. Rev. Lett. 108, 067003] Published Wed Feb 08, 2012

Beschreibung: Author(s): J. T. Okada, P. H.-L. Sit, Y. Watanabe, Y. J. Wang, B. Barbiellini, T. Ishikawa, M. Itou, Y. Sakurai, A. Bansil, R. Ishikawa, M. Hamaishi, T. Masaki, P.-F. Paradis, K. Kimura, T. Ishikawa, and S. Nanao Metallic liquid silicon at 1787 K is investigated using x-ray Compton scattering. An excellent agreement is found between the measurements and the corresponding Car-Parrinello molecular dynamics simulations. Our results show persistence of covalent bonding in liquid silicon and provide support for t... [Phys. Rev. Lett. 108, 067402] Published Wed Feb 08, 2012

Beschreibung: Author(s): Noam Shemesh, Carl-Fredrik Westin, and Yoram Cohen [Phys. Rev. Lett. 108, 069902] Published Wed Feb 08, 2012

Beschreibung: Author(s): Eliot Kapit, Paul Ginsparg, and Erich Mueller We report on a numerical experiment in which we use time-dependent potentials to braid non-Abelian quasiparticles. We consider lattice bosons in a uniform magnetic field within the fractional quantum Hall regime, where ν , the ratio of particles to flux quanta, is near 1/2 , 1, or 3/2 . We introduce ti... [Phys. Rev. Lett. 108, 066802] Published Wed Feb 08, 2012

Beschreibung: Author(s): Jay D. Sau, Chien Hung Lin, Hoi-Yin Hui, and S. Das Sarma Semiconducting nanowires in proximity to superconductors are promising experimental systems for Majorana fermions which may ultimately be used as building blocks for topological quantum computers. A serious challenge in the experimental realization of the Majorana fermion in these semiconductor-supe... [Phys. Rev. Lett. 108, 067001] Published Wed Feb 08, 2012

Beschreibung: Author(s): T. Stoltzfus-Dueck The interaction of passing-ion drift orbits with spatially inhomogeneous but purely diffusive radial transport is demonstrated to cause spontaneous toroidal spin-up in a simple model of the tokamak edge. Physically, major-radial orbit shifts cause orbit-averaged diffusivities to depend on v ∥ , includ... [Phys. Rev. Lett. 108, 065002] Published Wed Feb 08, 2012

Beschreibung: Author(s): M. A. Laakso, T. T. Heikkilä, and Yuli V. Nazarov We propose a mesoscopic setup which exhibits strong and manifestly non-Gaussian fluctuations of energy and temperature when suitably driven out of equilibrium. The setup consists of a normal metal island (N) coupled by tunnel junctions (I) to two superconducting leads (S), forming a SINIS structure,... [Phys. Rev. Lett. 108, 067002] Published Wed Feb 08, 2012

Beschreibung: Author(s): Iztok Pižorn and Frank Verstraete The numerical renormalization group (NRG) is rephrased as a variational method with the cost function given by the sum of all the energies of the effective low-energy Hamiltonian. This allows us to systematically improve the spectrum obtained by NRG through sweeping. The ensuing algorithm has a lot ... [Phys. Rev. Lett. 108, 067202] Published Wed Feb 08, 2012

Beschreibung: Author(s): Masafumi Udagawa, Hiroaki Ishizuka, and Yukitoshi Motome We present a mechanism of resistivity minimum in conduction electron systems coupled with localized moments, which is distinguished from the Kondo effect. Instead of the spin-flip process in the Kondo effect, electrons are elastically scattered by local spin correlations which evolve in a particular... [Phys. Rev. Lett. 108, 066406] Published Fri Feb 10, 2012