Drying process of microcrystalline cellulose studied by attenuated total reflection IR spectroscopy with two-dimensional correlation spectroscopy and principal component analysis

Watanabe, Akihiko, Morita, Shigeaki, Kokot, Serge, Matsubara, Mika, Fukai, Katsuhiko and Ozaki, Yukihiro (2006). Drying process of microcrystalline cellulose studied by attenuated total reflection IR spectroscopy with two-dimensional correlation spectroscopy and principal component analysis. In: Journal of Molecular Structure. Applications of Two-Dimensional correlation spectroscopy, A Collection of Papers Presented at the Third International Symposium on Two-Dimensional Correlation Spectroscopy (2DCOS-3). rd International Symposium on Two-Dimensional Correlation Spectroscopy (2DCOS-3), Delavan, Wisconsin, USA, (102-110). 12-14 August, 2005. doi:10.1016/j.molstruc.2006.03.018


Author Watanabe, Akihiko
Morita, Shigeaki
Kokot, Serge
Matsubara, Mika
Fukai, Katsuhiko
Ozaki, Yukihiro
Title of paper Drying process of microcrystalline cellulose studied by attenuated total reflection IR spectroscopy with two-dimensional correlation spectroscopy and principal component analysis
Conference name rd International Symposium on Two-Dimensional Correlation Spectroscopy (2DCOS-3)
Conference location Delavan, Wisconsin, USA
Conference dates 12-14 August, 2005
Proceedings title Journal of Molecular Structure. Applications of Two-Dimensional correlation spectroscopy, A Collection of Papers Presented at the Third International Symposium on Two-Dimensional Correlation Spectroscopy (2DCOS-3)   Check publisher's open access policy
Journal name Journal of Molecular Structure   Check publisher's open access policy
Publication Year 2006
Sub-type Fully published paper
DOI 10.1016/j.molstruc.2006.03.018
ISSN 0022-2860
Volume 799
Issue 1-3 SI
Start page 102
End page 110
Total pages 9
Language eng
Abstract/Summary Molecular interactions between microcrystalline cellulose (MCC) and water were investigated by attenuated total reflection infrared (ATR/IR) spectroscopy. Moisture-content-dependent IR spectra during a drying process of wet MCC were measured. In order to distinguish overlapping O–H stretching bands arising from both cellulose and water, principal component analysis (PCA) and, generalized two-dimensional correlation spectroscopy (2DCOS) and second derivative analysis were applied to the obtained spectra. Four typical drying stages were clearly separated by PCA, and spectral variations in each stage were analyzed by 2DCOS. In the drying time range of 0–41 min, a decrease in the broad band around 3390 cm−1 was observed, indicating that bulk water was evaporated. In the drying time range of 49–195 min, decreases in the bands at 3412, 3344 and 3286 cm−1 assigned to the O6H6cdots, three dots, centeredO3′ interchain hydrogen bonds (H-bonds), the O3H3cdots, three dots, centeredO5 intrachain H-bonds and the H-bonds in Iβ phase in MCC, respectively, were observed. The result of the second derivative analysis suggests that water molecules mainly interact with the O6H6cdots, three dots, centeredO3′ interchain H-bonds. Thus, the H-bonding network in MCC is stabilized by H-bonds between OH groups constructing O6H6cdots, three dots, centeredO3′ interchain H-bonds and water, and the removal of the water molecules induces changes in the H-bonding network in MCC.
Subjects CX
Keyword two-dimensional correlation spectroscopy
principal component analysis (PCA)
attenuated total reflection infrared (ATR/IR) spectroscopy
cellulose
hydrogen bond
Q-Index Code CX

Document type: Conference Paper
Collection: School of Chemistry and Molecular Biosciences
 
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Created: Wed, 15 Aug 2007, 09:43:57 EST