| Applications of moving window two-dimensional correlation spectroscopy to analysis of phase transitions and spectra classification. | |
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MedLine Citation:
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PMID: 14632112 Owner: NLM Status: PubMed-not-MEDLINE |
Abstract/OtherAbstract:
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Our recently proposed idea of moving window two-dimensional (2D) correlation spectroscopy, which partitions a data set into series of relatively small submatrices (windows) and calculates their covariance maps in succession, is tested for three convoluted data set. Phase-transition temperatures of oleic acid and poly-(N-isopropylacrylamide) in an aqueous solution are sought by analyzing covariances of their temperature-dependent near-infrared and infrared spectra, respectively, while Raman spectra of three kinds of polyethylene (PE) pellets are investigated to find the spectral differences among them and to classify randomly ordered spectra by a sample-sample (SS) covariance map. The criterion of mean of standard deviation of covariance matrices is used as an indicator of the crucial information present in these matrices so that only a few of them are discussed in details. The results are obtained quickly after very simple calculations and are studied at length. The baseline variation is not removed prior to the calculations but is found to be of use for the determination of the phase-transition temperatures. Randomly ordered Raman spectra of the PE pellets are classified by innovatively used and interpreted SS slice spectra, with the relation to principal component analysis discussed. |
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Authors:
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Slobodan Sasić; Yukiteru Katsumoto; Harumi Sato; Yukihiro Ozaki |
Publication Detail:
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Type: Journal Article |
Journal Detail:
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Title: Analytical chemistry Volume: 75 ISSN: 0003-2700 ISO Abbreviation: Anal. Chem. Publication Date: 2003 Aug |
Date Detail:
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Created Date: 2003-11-24 Completed Date: 2004-06-16 Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 0370536 Medline TA: Anal Chem Country: United States |
Other Details:
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Languages: eng Pagination: 4010-8 Citation Subset: - |
Affiliation:
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Kwansei-Gakuin University, School of Science and Technology, Sanda 669-1337, Japan. slsasic@yahoo.com |
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Descriptor/Qualifier:
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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