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  • 1
    Electronic Resource
    Electronic Resource
    Relationships between higher-order data array configurations and problem formulations in multivariate data analysis (1989)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 3 (1989), S. 33-48 
    Details
    ISSN: 0886-9383
    Keywords: Higher-order data arrays ; Dimensionality ; Data modelling ; Classification ; Discrimination ; Correlation ; Regression ; Systematics of data analysis ; Opportunities for future developments ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A scaffold for detailed understanding of the concept ‘dimensionality’ in data analysis is furnished by a systematic classification of higher-order data array configurations. Three major types of problem formulation in multivariate data analysis can be characterized for relevant data classes: 1data description (intra-class data structure modelling of inter-object and inter-variable relationships)2classification (inter-class discrimination)3correlation, regression (inter-variable relationships).The relationship between these three categories of data analytical problem formulation and the fundamental data array classification is exposed. These relations are augmented to include the general case of data arrays of order R, and R-way data analysis with the use of bilinear projections is presented. Based upon this, some possible directions for the future development of data analysis may be imagined.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180030106
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  • 2
    Electronic Resource
    Electronic Resource
    Structural analysis of hydroxy fatty acids by thermospray liquid chromatography/tandem mass spectrometry (1993)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 22 (1993), S. 302-310 
    Details
    ISSN: 1052-9306
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Thermospray liquid chromatography/tandem mass spectrometry provides a sensitive and convenient technique for the structural analysis of oxygenated polyunsaturates. Analysis of pentafluorobenzyl derivatives in the negative ion mode under the filament- or discharge-on condition generated abundant [M - PFB]- ions. These ions were further fragmented by collision with argon and detected in the negative ion mode. The negative ion fragmentation pattern was examined for various oxygenated polyunsaturated fatty acid standards as well as their deuterated and/or hydrogenated forms. Characteristic fragmentation occurs at the oxygenated C—C bonds, allowing unambiguous determination of the sites of oxygenation. The sample amount required is typically in the low tens of nanogram range. Using this method the structures of epoxy, hydroxy derivatives of 4,7,10,13,16,19-docosahexaenoic acid (22:6w3) formed by soybean lipoxygenase were determined. They were 13-hydroxy-16,17-epoxy-22:5w3 and 15-hydroxy-16,17-epoxy-22:5w3.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bms.1200220506
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  • 3
    Electronic Resource
    Electronic Resource
    Raman spectra of tetramethylammonium-trimethylammonium mixed ion vermiculite clay intercalation compounds (1990)
    Chichester [u.a.] : Wiley-Blackwell
    Journal of Raman Spectroscopy 21 (1990), S. 103-107 
    Details
    ISSN: 0377-0486
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The composition dependence of the Raman spectra of the mixed ion vermiculites [(CH3)4N+]1-x [(CH3)3NH+]x-V (V = vermiculite) have been studied in the range 0 ≤ x ≤ 1. The torsional mode frequencies exhibit a small shift (ca. 2 cm-1) to lower energy with increasing x and their composition dependence is distinct from that shown by the corresponding modes of Cs1-xRbx-V. These differences are attributed to a variation of the guest-host force constants and in particular to the interactions between the guest ions and the basal oxygens, which depend strongly on the size difference,ΔD, between the guest ion pairs. Using a van der Waals-type force model and the nearest neighbor approximation, the torsional mode frequencies of the pure end-member compounds of the two mixed ion systems discussed above have been successfully accounted for.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jrs.1250210207
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