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Selection of the NIR Region for a Regression Model of the Ethanol Concentration in Fermentation Process by an Online NIR and Mid-IR Dual-Region Spectrometer and 2D Heterospectral Correlation Spectroscopy
http://hdl.handle.net/2241/118654
http://hdl.handle.net/2241/1186542d24abc9-caea-4799-a586-ea5a3fbf1544
名前 / ファイル | ライセンス | アクション |
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AS_28.pdf (762.3 kB)
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Item type | Journal Article(1) | |||||
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公開日 | 2013-03-14 | |||||
タイトル | ||||||
タイトル | Selection of the NIR Region for a Regression Model of the Ethanol Concentration in Fermentation Process by an Online NIR and Mid-IR Dual-Region Spectrometer and 2D Heterospectral Correlation Spectroscopy | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源 | http://purl.org/coar/resource_type/c_6501 | |||||
タイプ | journal article | |||||
著者 |
NISHII, Takashi
× NISHII, Takashi× GENKAWA, Takuma× WATARI, Masahiro× OZAKI, Yukihiro |
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著者別名 |
源川, 拓磨
× 源川, 拓磨 |
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抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | A new selection procedure of an informative near-infrared (NIR) region for regression model building is proposed that uses an online NIR/mid-infrared (mid-IR) dual-region spectrometer in conjunction with two-dimensional (2D) NIR/mid-IR heterospectral correlation spectroscopy. In this procedure, both NIR and mid-IR spectra of a liquid sample are acquired sequentially during a reaction process using the NIR/mid-IR dual-region spectrometer; the 2D NIR/mid-IR heterospectral correlation spectrum is subsequently calculated from the obtained spectral data set. From the calculated 2D spectrum, a NIR region is selected that includes bands of high positive correlation intensity with mid-IR bands assigned to the analyte, and used for the construction of a regression model. To evaluate the performance of this procedure, a partial least-squares (PLS) regression model of the ethanol concentration in a fermentation process was constructed. During fermentation, NIR/mid-IR spectra in the 10000 – 1200 cm−1 region were acquired every 3 min, and a 2D NIR/mid-IR heterospectral correlation spectrum was calculated to investigate the correlation intensity between the NIR and mid-IR bands. NIR regions that include bands at 4343, 4416, 5778, 5904, and 5955 cm−1, which result from the combinations and overtones of the C–H group of ethanol, were selected for use in the PLS regression models, by taking the correlation intensity of a mid-IR band at 2985 cm−1 arising from the CH3 asymmetric stretching vibration mode of ethanol as a reference. The predicted results indicate that the ethanol concentrations calculated from the PLS regression models fit well to those obtained by high-performance liquid chromatography. Thus, it can be concluded that the selection procedure using the NIR/mid-IR dual-region spectrometer combined with 2D NIR/mid-IR heterospectral correlation spectroscopy is a powerful method for the construction of a reliable regression model. | |||||
書誌情報 |
Analytical sciences 巻 28, p. 1165-1170, 発行日 2012-12 |
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ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 0910-6340 | |||||
書誌レコードID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AA10500785 | |||||
PubMed番号 | ||||||
識別子タイプ | PMID | |||||
関連識別子 | 23232236 | |||||
DOI | ||||||
識別子タイプ | DOI | |||||
関連識別子 | 10.2116/analsci.28.1165 | |||||
権利 | ||||||
権利情報 | © 2012 by The Japan Society for Analytical Chemistry | |||||
著者版フラグ | ||||||
値 | publisher | |||||
出版者 | ||||||
出版者 | The Japan Society for Analytical Chemistry | |||||
URI | ||||||
識別子 | http://hdl.handle.net/2241/118654 | |||||
識別子タイプ | HDL |