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ID 115216
Title Alternative
Multivariate analysis of NMR spectra
Author
Anmoto, Takuya The University of Tokushima
Umezawa, Nao The University of Tokushima
Momose, Hikaru The University of Tokushima|Mitsubishi Rayon
Katsumoto, Yukiteru Hiroshima University
Keywords
chemometrics
NMR
partial least-squares regression
poly(N-isopropylacrylamide)
principal component analysis
stereostructures
Content Type
Journal Article
Description
In this paper, we report multivariate analyses, such as principal component analysis (PCA) and partial least-squares (PLS) regression, of NMR spectra of poly(N-isopropylacrylamide)s [poly(NIPAAm)s]. PCA successfully interpreted the assignments of NMR spectra of poly(NIPAAm)s in terms of stereostructures for the methine carbons at triad levels and for the methylene protons at tetrad levels. Furthermore, triad tacticity was successfully predicted by PLS regression of 1H NMR spectra of the methine and methylene groups, although the low resolution of the signals of the methine protons confines determination of tacticities by conventional methods to the diad levels. Consequently, it is assumed that chemometric approaches are useful for assigning NMR spectra in terms of stereostructures and for predicting tacticity distributions.
Journal Title
Polymer Journal
ISSN
00323896
13490540
NCID
AA00777013
AA12453460
Publisher
The Society of Polymer Science, Japan|Springer Nature
Volume
44
Issue
8
Start Page
815
End Page
820
Published Date
2012-04-18
EDB ID
DOI (Published Version)
URL ( Publisher's Version )
FullText File
language
eng
TextVersion
Author
departments
Science and Technology