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  • Analytical Chemistry and Spectroscopy  (22)
  • 1995-1999  (11)
  • 1985-1989  (11)
  • 1950-1954
  • 1
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 2 (1988), S. 247-263 
    ISSN: 0886-9383
    Keywords: Calibration ; Tensor ; Multivariate ; PCR ; MLR ; PLS ; Regression ; Multidimensional arrays ; Order ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Many analytical instruments now produce one-, two- or n-dimensional arrays of data that must be used for the analysis of samples. An integrated approach to linear calibration of such instruments is presented from a tensorial point of view. The data produced by these instruments are seen as the components of a first-, second- or nth-order tensor respectively. In this first paper, concepts of linear multivariate calibration are developed in the framework of first-order tensors, and it is shown that the problem of calibration is equivalent to finding the contravariant vector corresponding to the analyte being calibrated. A model of the subspace spanned by the variance in the calibration must be built to compute the contravarian vectors. It is shown that the only difference between methods such as least squares, principal components regression, latent root regression, ridge regression and partial least squres resides in the choice of the model.
    Additional Material: 9 Ill.
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  • 2
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 2 (1988), S. 265-280 
    ISSN: 0886-9383
    Keywords: Calibration ; Tensor ; Multivariate ; Order ; Regression ; Generalized rank annihilation ; GRAM ; Multi order ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Tensorial calibration provides a useful approach to calibration in general. For calibration of instruments that produce two-dimensional (second-order) arrays of data per sample, tensoial concepts are as natural a way of solving the calibration problem as vectorial concepts are for the multivariate problem. Similarly, for third- and higher-order data, the tensorial description of calibration is also useful. This paper introduces second-order calibration from a tensorial point of view. Univariate, multivariate and bilinear approaches to calibration are presented. The generalized rank annihilation method (GRAM) is described from the tensorial perspective, and it is shown that GRAM is equivalent to finding a second-order tensorial base that spans both tensors (calibration and unknown) with respective diagonal component matrices. GRAM uses a single calibration sample for multicomponent analysis even in the presence of interference. Second-order bilinear calibration is extended to multiple calibration samples where the effect of collinearities is reduced.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 493-498 
    ISSN: 0886-9383
    Keywords: Rank annihilation ; Generalized rank annihilation method ; Generalized eigenproblem ; Calibration ; Spectral interferents ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An improved algorithm for the generalized rank annihilation method (GRAM) is presented. GRAM is a method for multicomponent calibration using two-dimensional instruments, such as GC-MS. In this paper an orthonormal base is first computed and used to project the calibration and unknown sample response matrices into a lower-dimensional subspace. The resulting generalized eigenproblem is then solved using the QZ algorithm. The result of these improvements is that GRAM is computationally more stable, particularly in the case where the calibration sample contains chemical constituents not present in the unknown sample and the unknown contains constituents not present in the calibration (the most general case).
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  • 4
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 19 (1996), S. 111-116 
    ISSN: 0935-6304
    Keywords: Polynuclear aromatic hydrocarbons ; Liquid chromatography ; Alcohols ; Micelles ; Enviromental samples ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A method for the separation of polycyclic aromatic hydrocarbons (PAHs) by high-performance liquid chromatography using a hybrid micellar mobile phase is described. The detection of PAHs was carried out using the fluorescence method with programmable excitation and emission wavelength. The method is applied to the analysis of several environmental samples (sea water, sediments, limpets, sea worms) and several of these compounds are quantitated at concentration below 70 ng L-1(kg-1) in the original samples.
    Additional Material: 4 Ill.
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  • 5
    ISSN: 0951-4198
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Notes: The electron ionization-induced fragmentation pattern of extended tetrathiafulvalenes has been studied by exact mass measurements, metastable ion analysis and collision-induced dissociation mass spectrometry. The influence on the fragmentation of the central bridge linking the dithiole moieties is discussed.
    Additional Material: 3 Ill.
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  • 6
    ISSN: 1075-4261
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Physics
    Notes: SERS, SERRS and NIR FTSERS of emodin and hypericin are reported for the first time on aqueous silver colloid. Intense SERRS spectra can be obtained when using excitation lines at 514 nm for emodin and 598 nm for hypericin. FTIR and NIR FTRaman spectra from these molecules and their model compounds, anthrone and bianthrone, were recorded to assist in the assignment of the SERS bands. From the analysis of the SERS spectra a different orientation for each molecule can be deduced. © 1995 John Wiley & Sons, Inc.
    Additional Material: 7 Ill.
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  • 7
    ISSN: 1075-4261
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Physics
    Notes: The study of the surface enhanced Raman spectroscopy (SERS) excitation profiles of 1,5-dimethylcytosine on metal colloids allows a more detailed determination of the behavior of the functional groups of this molecule in the adsorption process on the metal supports. Silver has shown its effectiveness and selectivity as a support for this technique from the point of view of its stability and capability to enhance the Raman signal coming from the adsorbate. The results are discussed in terms of the two well-known theories proposed up to now to explain the SERS phenomenon: electromagnetic and chemical (or charge transfer) models. © 1996 John Wiley & Sons, Inc.
    Additional Material: 6 Ill.
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  • 8
    ISSN: 1075-4261
    Keywords: 9-aminoacridine ; fluorescence ; SERS ; dimerization ; excimer ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Physics
    Notes: Fluorescence spectroscopy and surface-enhanced Raman spectroscopy (SERS) have been applied to study the aggregation and excimer emission of 9-aminoacridine (9AA) and 9-aminoacridine hydrochloride (9AA-HCl) in aqueous solution and on silver colloids. The effect of the drug concentration, pH, and chloride concentration on these processes has been investigated. The excimer emission of 9AA is connected to the dimerization of this drug in solution: the formation of 9AA dimers is greatly favored when the drug is under the amino form at neutral and acidic pH, while at alkaline pH the imino 9AA form tends to form large-sized aggregates which cannot be excited to render excimer emission. 9AA is adsorbed on the silver surface under two different forms: strongly and weakly attached 9AA, each one corresponding to the different drug tautomers: imino and amino. The interaction of 9AA with silver induces a charge transfer from the adsorbate to the metal leading to a remarkable fluorescence quenching, a basicity decrease of the adsorbed drug and a considerable weakening of the dimer-excimer emission. Furthermore, an attribution of the main Raman features appearing in the SERS spectra has been proposed, providing marker bands for the imino and amino 9AA tautomers, and a mechanism for the molecular dimerization is also suggested. © 1998 John Wiley & Sons, Inc. Biospectroscopy 4: 327-339, 1998
    Additional Material: 6 Ill.
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  • 9
    Electronic Resource
    Electronic Resource
    New York, NY [u.a.] : Wiley-Blackwell
    Biospectroscopy 3 (1997), S. 449-455 
    ISSN: 1075-4261
    Keywords: surface-enhanced Raman spectroscopy ; γ-aminobutyric acid ; Raman spectra ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Physics
    Notes: The surface-enhanced Raman spectroscopy (SERS) of γ-aminobutyric acid (GABA) adsorbed on silver colloids in H2O and D2O were recorded and analyzed. When the concentration is greater than 10-3 M, the adsorbed species is the anionic form of the amino acid that interacts with the surface through both functional groups. According to the vibrational interpretation of the spectra, it is assumed that at concentrations in the order of or less than 10-3 M, GABA undergoes chemical transformations, which increase upon dilution, and spectra are recorded that are the result of the competitive adsorption between the amino acid in its anionic form and the products resulting from the chemical transformations. © 1997 John Wiley & Sons, Inc. Biospectroscopy 3: 449-455, 1997
    Additional Material: 5 Ill.
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  • 10
    ISSN: 0935-6304
    Keywords: Chiral GC ; chiral stationary phase ; cyclodextrin ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: ---2,3-Di-O-pentyl-6-O-tert-butyldimethylsilyl-β-cyclodextrin has been evaluated as an enantioselective stationary phase for capillary gas chromatography. Experimental results show a good enantioselectivity towards compounds with different functional groups (haloalkanes, alcohols, esters, terpenoids, amino acid derivatives, and heterocycles). Column stability improves mixing the chiral phase with polysiloxane SE-54 (1 : 1).
    Additional Material: 2 Ill.
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