Effect of Temperature and Concentration on Self-Association of Octan-1-ol Studied by Two-Dimensional Fourier Transform Near-Infrared Correlation Spectroscopy

2000 ◽  
Vol 104 (27) ◽  
pp. 6356-6361 ◽  
Author(s):  
Mirosław A. Czarnecki



2000 ◽  
Vol 24 (2) ◽  
pp. 171-180 ◽  
Author(s):  
Akira Matsushita ◽  
Yanzhi Ren ◽  
Kimihiro Matsukawa ◽  
Hiroshi Inoue ◽  
Yukio Minami ◽  
...  


2020 ◽  
Vol 28 (3) ◽  
pp. 148-152 ◽  
Author(s):  
Ishita Joshi ◽  
Vi Khanh Truong ◽  
J Chapman ◽  
D Cozzolino

The variations in temperature during the analysis of alcoholic beverages are of importance to develop protocols based on near infrared spectroscopy. The objective of this study was to evaluate the effect of increasing temperature on the near infrared spectra of whisky samples using two-dimensional correlation spectroscopy. Whisky samples from different commercial labels were analyzed at four different temperatures (25°C, 35°C, 45°C, and 55°C) using a UV–VIS–NIR instrument. Asynchronous and synchronous two-dimensional correlation spectroscopy was used to reveal the effect of temperature on the near infrared spectra of the samples. The results of this study indicated that temperatures between 40°C and 55°C alter absorption at specific wavelengths in the near infrared region of the whisky samples analyzed. The combination of near infrared spectroscopy with two-dimensional correlation spectroscopy has the potential to dramatically improve the efficiency of analytical laboratories, considering the range of data that can be collected.



1996 ◽  
Vol 50 (4) ◽  
pp. 467-475 ◽  
Author(s):  
William Fred McClure ◽  
Hisashi Maeda ◽  
Jian Dong ◽  
Yongliang Liu ◽  
Yukihiro Ozaki

Two-dimensional (2D) correlation of near-infrared (NIR) and Raman spectra was carried out for mixtures of protein (lysozyme) and sugar (sucrose) to investigate the potential of this technique for qualitative NIR spectral interpretation. Cross-correlation by least-squares was employed to assess changes in both sets of spectra which result from changes in the set of sample spectra. Fourier transform (FT) NIR and NIR-excited FT-Raman spectra were measured for each of the samples under the same conditions, and point-for-point 2D cross-correlation was calculated. In this technique, each wavenumber in the NIR region gives rise to a sliced Raman spectrum where each data point is correlated to the NIR wavenumber, while each wavenumber in a Raman spectrum provides a sliced NIR spectrum in which each data point is correlated to the Raman wavenumber. For example, choosing NIR wavenumbers 7272, 6960, 6324, and 4812 cm−1 gives sliced Raman spectra with features attributable to sucrose, while choosing NIR wavenumbers at 8424, 5148, 5052, and 4584 cm−1 provides slices with distinct lysozyme features. Therefore, the technique permits the determination of the most probable origin of NIR signals by connecting NIR spectra, which have rather broad and overlapped bands, to Raman spectra consisting of sharp and clearly separated bands. It is also possible to produce sliced NIR spectra of lysozyme and sucrose by properly selecting wavenumbers in their Raman spectra. The NIR slices explain which wavenumbers in the NIR region are correlated to lysozyme or to sucrose. Thus, 2D correlation spectroscopy helps explain the reasons why certain wavenumbers are selected in a chemometric calibration model.



2000 ◽  
Vol 23 (2) ◽  
pp. 207-218 ◽  
Author(s):  
Yanzhi Ren ◽  
Akira Matsushita ◽  
Kimihiro Matsukawa ◽  
Hiroshi Inoue ◽  
Yukio Minami ◽  
...  


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