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Application of augmentation method to MCR-ALS analysis for XAFS and Raman data matrices in structural change of isopolymolybdates
https://repo.qst.go.jp/records/80988
https://repo.qst.go.jp/records/80988517f15da-f328-49c2-8925-64fa456782c4
| Item type | 学術雑誌論文 / Journal Article(1) | |||||
|---|---|---|---|---|---|---|
| 公開日 | 2020-06-19 | |||||
| タイトル | ||||||
| タイトル | Application of augmentation method to MCR-ALS analysis for XAFS and Raman data matrices in structural change of isopolymolybdates | |||||
| 言語 | ||||||
| 言語 | eng | |||||
| 資源タイプ | ||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_6501 | |||||
| 資源タイプ | journal article | |||||
| アクセス権 | ||||||
| アクセス権 | metadata only access | |||||
| アクセス権URI | http://purl.org/coar/access_right/c_14cb | |||||
| 著者 |
Saeki, Morihisa
× Saeki, Morihisa× Yomogida, Takumi× Matsumura, Daiju× Saito, Takumi× Nakanishi, Ryuzo× Tsuji, Takuya× Ohba, Hironori× Morihisa, Saeki× Ryuzo, Nakanishi× Hironori, Oba |
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| 抄録 | ||||||
| 内容記述タイプ | Abstract | |||||
| 内容記述 | We measured X-ray absorption fine structure (XAFS) and Raman spectra of isopolymolybdates(VI) in highly concentrated HNO3 solution (0.15–4.0 M), which change their geometries depending on acid concentration, and performed simultaneous resolution of the XAFS and Raman data using a multivariate curve resolution by alternating least-squares (MCR-ALS) analysis. In iterative ALS optimization, initial data matrices were prepared by two different methods. For low sensitivity of the XAFS spectra to geometrical change of the isopolymolybdates, the MCR-ALS result of single XAFS data matrix shows large dependence on the preparation method of the initial data matrices. This problem is improved by the simultaneous resolution of the XAFS and Raman data: the MCR-ALS result of an augmented matrix of these data has little dependence on the initial data matrices. It indicates that the augmentation method effectively improves the rotation ambiguities in the MCR-ALS analysis of the XAFS data. | |||||
| 書誌情報 |
Analytical Sciences 巻 36, 号 11, p. 1371-1378, 発行日 2020-11 |
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| 出版者 | ||||||
| 出版者 | The Japan Society for Analytical Chemistry | |||||
| ISSN | ||||||
| 収録物識別子タイプ | ISSN | |||||
| 収録物識別子 | 0910-6340 | |||||
| DOI | ||||||
| 識別子タイプ | DOI | |||||
| 関連識別子 | 10.2116/analsci.20P147 | |||||
| 関連サイト | ||||||
| 識別子タイプ | URI | |||||
| 関連識別子 | https://www.jstage.jst.go.jp/article/analsci/36/11/36_20P147/_article | |||||
