直近一年間の累計
アクセス数 : ?
ダウンロード数 : ?
ID 115216
タイトル別表記
Multivariate analysis of NMR spectra
著者
Anmoto, Takuya The University of Tokushima
Umezawa, Nao The University of Tokushima
Momose, Hikaru The University of Tokushima|Mitsubishi Rayon
Katsumoto, Yukiteru Hiroshima University
キーワード
chemometrics
NMR
partial least-squares regression
poly(N-isopropylacrylamide)
principal component analysis
stereostructures
資料タイプ
学術雑誌論文
抄録
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.
掲載誌名
Polymer Journal
ISSN
00323896
13490540
cat書誌ID
AA00777013
AA12453460
出版者
The Society of Polymer Science, Japan|Springer Nature
44
8
開始ページ
815
終了ページ
820
発行日
2012-04-18
EDB ID
出版社版DOI
出版社版URL
フルテキストファイル
言語
eng
著者版フラグ
著者版
部局
理工学系