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Title: Quantitative analysis of methanol, an adulterant in alcoholic beverages, using attenuated total reflectance spectroscopy
Authors: Nagarajan, R
Mehrotra, R
Bajaj, M M
Keywords: Attenuated total reflectance
Correlation coefficient
Partial least squares
Root mean square error
Issue Date: May-2006
Publisher: CSIR
IPC CodeG01J3/42
Abstract: To quantify methanol, a spurious adulterant in alcoholic beverages, attenuated total reflectance (ATR) technique is used. Synthetic samples (100) are prepared for developing a suitable calibration model. Spectra are recorded for all samples in wavelength region 4000-600 cm-1 using Bio-Rad 175 C FTS spectrophotometer in ATR mode. Calibration equation is obtained using partial least squares (PLS) method. Correlation coefficient and root mean square error values for methanol are R2cal: 0.9860, R2val: 0.9839 and RMSEC: 0.0470, RMSEV: 0.0505. Spectral measurement is done for 10 samples and their methanol concentration (0.5-2.5%) is predicted using the developed calibration model. The reliability and repeatability of spectroscopic technique may be appreciated by the agreement between ATR predicted results to those of actual values.
Page(s): 416-419
ISSN: 0975-1084 (Online); 0022-4456 (Print)
Source:JSIR Vol.65(05) [May 2006]

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