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  • ZIB Catalog
  • Articles: DFG German National Licenses  (100)
  • Analytical Chemistry and Spectroscopy  (100)
  • 1
    Electronic Resource
    Electronic Resource
    Tutorial to robust statistics (1991)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 1-20 
    Details
    ISSN: 0886-9383
    Keywords: Averaging ; Median ; Outliers ; Regression ; Residuals ; Robustness ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In this tutorial we first illustrate the effect of outliers on classical statistics such as the sample average. This motivates the use of robust techniques. For univariate data the sample median is a robust estimator of location, and the dispersion can also be estimated robustly. The resulting ‘z-scores’ are well suited to detect outliers. The sample median can be generalized to very large data sets, which is useful for robust ‘averaging’ of curves or images. For multivariate data a robust regression procedure is described. Its standardized residuals allow us to identify the outliers. Finally, a survey of related approaches is given. (This review overlaps with earlier work by the same author, which appeared elsewhere.)
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180050103
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Physical properties of matrices used for fast atom bombardment (1989)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 18 (1989), S. 492-497 
    Details
    ISSN: 0887-6134
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Physical and chemical properties of common matrices are tabulated, with aims of facilitating rational matrix selection and providing input for fundamental studies of matrix-assisted ionization. The rationale for selecting tabulated properties is discussed.
    Additional Material: 10 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200180708
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Computerized multiple input chromatography. M. Kaljurand and E. Küllik. Ellis Horwood, Chichester, 1989, 225 pp., ISBN 0-7458-0120-X/0-470-21228-4 (1991)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 14 (1991), S. 566-566 
    Details
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240140813
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    Paper (German National Licenses)
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  • 4
    Electronic Resource
    Electronic Resource
    Fast, high precision fingerprinting of fatty acids in milk (1991)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 14 (1991), S. 802-807 
    Details
    ISSN: 0935-6304
    Keywords: Capillary GC ; Sample preparation ; Automation ; Methylation ; Dairy ; Milk ; Lipid ; FAME ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A rapid, precise method has been developed for the determination of the fatty acid profile of small samples of milk fat. Lipids are extracted from milk with n-hexane, triglycerides are trans-esterified with sodium methoxide, and free fatty acids are esterified with methanolic hydrochloric acid. The methyl esters are separated on a narrow-bore, 5% phenyl polydimethylsiloxane capillary column. The fatty acid profile is precise: for the various acids the coefficients of variation of peak area are between 6.7% and 9.7%, with a mean of 8.1%, and the coefficients of variation of peak percentage area are between 0.3% and 5.5% with a mean of 1.8%. The nature of the sample preparation procedure does not limit throughout.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240141205
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  • 5
    Electronic Resource
    Electronic Resource
    The effects of the column pressure drop on retention and efficiency in packed and open tubular supercritical fluid chromatography (1991)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 14 (1991), S. 438-445 
    Details
    ISSN: 0935-6304
    Keywords: Supercritical fluid chromatography ; Pressure drop ; Retention ; Efficiency ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The effects of the pressure drop across the column on retention and efficiency in SFC have been studied. Numerical methods are described which enable the prediction of hold-up time and pressure drop in both packed and open tubular columns. Predictions of both hold-up time and pressure drop are in good agreement with experimental data.The density gradient along the column can be calculated using the numerical methods and a procedure is described which enables the calculation of the overall capacity factors of the solutes from the density profile in the column. Significant variations of the capacity factor are observed along the column.The effect of the density gradient along the column on local diffusivity and dispersion is studied. The column efficiency in systems with significant pressure drops is affected by changes in: the linear velocity of the mobile phase; the diffusion coefficients; and the capacity factors of the solutes along the column. The overall efficiency of the chromatographic system can be calculated if, as is the case for open tubular columns, adequate plate height equations are available.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240140704
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  • 6
    Electronic Resource
    Electronic Resource
    Analysis of pyridinoline and its derivatives by scanning-array four-sector tandem mass spectrometry (1994)
    New York, NY : Wiley-Blackwell
    Rapid Communications in Mass Spectrometry 8 (1994), S. 99-104 
    Details
    ISSN: 0951-4198
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Notes: Structures of the trifunctional crosslink molecules, pyridinoline, deoxypyridinoline and glucosylgalactosyl-pyridinoline, have been characterized by positive-ion liquid secondary-ion mass spectrometry (LSIMS) and collision-induced dissociation with scanning-array four-sector tandem mass spectrometry. It has been found that: (i) the naturally occurring cations (Cat+) are readily desorbed by positive-ion LSIMS utilizing glycerol + thioglycerol (1:1) as liquid matrix and dominate the spectra, facilitating accurate mass measurement; (ii) changing the matrix to 3-nitrobenzyl alcohol leaves little evidence of the cation, and (iii) collision-induced dissociation of the cations (Cat+) of pyridinoline, deoxypyridinoline and glucosylgalatosyl-pyridinoline gives a wealth of fragmentation for structure elucidation. These fundamental studies of tandem mass spectra of the known trifunctional crosslink molecules provided valuable structure-related information, which help in the identification of the tissue-specific peptides containing these crosslinks. Artefact ions in these tandem mass spectra are remarkably abundant.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/rcm.1290080119
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  • 7
    Electronic Resource
    Electronic Resource
    Thermospray mass spectrometric analysis of phenazines (1988)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 17 (1988), S. 251-255 
    Details
    ISSN: 1052-9306
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Positive and negative thermospray mass spectra have been recorded for a number of phenazines at the submicrogram level. The spectra are dominated by molecular ion species ([M + H]+, [M - H]-) with minimal fragmentation. The gas chromatographic/electron impact mass spectrometric behaviour of the phenazines was also investigated. A number of phenazines were not amenable to gas chromatographic/mass spectrometric analysis without derivatization; in contrast, thermospray mass spectrometric data were obtained for each phenazine. Thermospray liquid chromatography/mass spectrometry has been applied to identify phenazine-1-carboxylic acid and 2-hydroxyphenazine in culture filtrates of Pseudomonas aureofaciens and 1-amidophenazine from Pseudomonas aeruginosa.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200170404
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    Paper (German National Licenses)
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  • 8
    Electronic Resource
    Electronic Resource
    Electron ionization-tandem mass spectrometry of glycosphingolipids. Part II. The identification of a carbohydrate sequence corresponding to a novel repetitive blood group a heptaglycosylceramide (1993)
    New York, NY : Wiley-Blackwell
    Rapid Communications in Mass Spectrometry 7 (1993), S. 421-426 
    Details
    ISSN: 0951-4198
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Notes: In a previous paper, the presence in human kidney vein tissue of a novel blood group A heptaglycosylceramide based on the type-3 carbohydrate chain GalNAcαl-3(Fucαl-2)Galα1-3GalNAcαl-3(Fucα1-2)Galβl-4Glcβl-1 Ceramide, was suggested based on thin-layer immunostaining and electron ionization mass Spectrometry. Ions corresponding lo a structure containing two deoxyhexoses, two hexosamines and three hexoses were identified, but no information was obtained from mass spectrometry concerning the carbohydrate sequence5. In the present paper, we report the identification of carbohydrate sequence ions corresponding to a type-3 chain A heptaglyco-sylceramide by electron ionization-tandem mass spectrometry of a permethylated-reduced glycosphingolipid mixture isolated from human kidney vein tissue. The use of a microchannel-plate-array detector increased the sensitivity for collision-induced dissociation spectra by a factor of at least ten over a conventional electron multiplier.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/rcm.1290070604
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  • 9
    Electronic Resource
    Electronic Resource
    Characterization of glucuronic acid conjugates of a novel angiotensin receptor antagonist (1994)
    New York, NY : Wiley-Blackwell
    Rapid Communications in Mass Spectrometry 8 (1994), S. 217-221 
    Details
    ISSN: 0951-4198
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Notes: Nanogram quantities of glucuronic acid conjugates of GR117289 in rat and dog bile have been analysed by semi-microbore high-performance liquid chromatography (HPLC)/ionspray mass spectrometry with on-line UV diode array detection. The determination of drug metabolites in bile has often proved problematical due to the large number of endogenous components in this biological matrix, in particular the bile acids. Semi-microbore HPLC is useful for concentrating small quantities of material and, in combination with an on-line diode array detector, for distinguishing between drug related and endogenous components. A novel angiotensin II receptor antagonist, GR117289, had proved difficult to analyse by thermospray mass spectrometry because of its thermal lability. The use of the less thermally dependent technique of ionspray mass spectrometry allowed the characterization of nanogram quantities of glucuronic acid metabolites of GR117289 in bile.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/rcm.1290080218
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  • 10
    Electronic Resource
    Electronic Resource
    A curved field reflectron time-of-flight mass spectrometer for the simultaneous focusing of metastable product ions (1994)
    New York, NY : Wiley-Blackwell
    Rapid Communications in Mass Spectrometry 8 (1994), S. 781-785 
    Details
    ISSN: 0951-4198
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Notes: The ability to simultaneously focus a wide mass range of metastable fragment ions formed after the initial ionization event in a matrix-assisted laser desorption/ionization time-of-flight mass spectrometer has been made possible by the development of a new type of ion reflector. This coaxially designed time-of-flight instrument employs a modified single stage reflector whose axial voltage gradient rises differentially in order to produce an alignment of energy focal points for product ions. In contrast, product-ion focusing in conventional constant field reflectors occurs over a broad range of distances from the reflectron exit. Approximately 90% of the product-ion mass spectrum can be collected without adjustment, thereby eliminating the need to scan the reflector voltage. Design considerations of the curved field reflectron, its calibration properties and representative metastable spectra of several peptides are discussed.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/rcm.1290080924
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