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利用衰减全反射(ATR)-傅里叶变换红外(FT-IR)光谱法和化学计量学对基于地理来源的非法酒类进行分类。

Classification of illicit liquors based on their geographic origin using Attenuated total reflectance (ATR) - Fourier transform infrared (FT-IR) spectroscopy and chemometrics.

作者信息

Yadav Praveen Kumar, Sharma Rakesh Mohan

机构信息

Punjabi University, Patiala, Punjab, 147002, India.

出版信息

Forensic Sci Int. 2019 Feb;295:e1-e5. doi: 10.1016/j.forsciint.2018.12.017. Epub 2019 Jan 6.

Abstract

In recent decades vibrational spectroscopy especially infrared (IR) spectroscopy has emerged as a fast, sensitive, and reliable technique in classifying alcoholic beverages based on geographic origin. However, Attenuated total reflectance (ATR) - Fourier transform infrared (FTIR) spectroscopy has not been used in many studies. In the present study, an attempt has been made to classify 75 samples of illicit liquor from different regions of India based on their geographical origin. The samples were scanned in the MIR range of 600-3000cm. It was observed that while using PCA 76% accuracy was obtained and while using LDA 93% accuracy was obtained. The samples of Delhi, Mansa, Patiala, Pathankot, and Fatehgarh Sahib show 100% classification with LDA whereas the samples from Ferozpur and Gurdaspur showed a 75% correct classification. These results point out toward the potential applicability of ATR-FTIR for the classification of alcoholic beverages based on the geographic origin.

摘要

近几十年来,振动光谱学尤其是红外(IR)光谱学已成为一种基于地理来源对酒精饮料进行分类的快速、灵敏且可靠的技术。然而,衰减全反射(ATR)-傅里叶变换红外(FTIR)光谱学在许多研究中尚未得到应用。在本研究中,尝试根据地理来源对来自印度不同地区的75个非法酒类样本进行分类。这些样本在600 - 3000cm的中红外范围内进行扫描。结果发现,使用主成分分析(PCA)时准确率为76%,使用线性判别分析(LDA)时准确率为93%。德里、曼萨、帕蒂亚拉、帕坦科特和法塔赫加尔·萨希卜的样本在使用LDA时显示出100%的分类准确率,而费罗兹布尔和古尔达斯布尔的样本显示出75%的正确分类率。这些结果表明ATR - FTIR在基于地理来源对酒精饮料进行分类方面具有潜在的适用性。

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