傅里叶变换红外光谱法结合化学计量学对护肤品的检验研究  

Inspect and study of skin care products with Fourier transform infrared spectroscopy and chemometrics

作　　者：付思源 姜红 隋彦博 王思琦 刘瑞 陈敏璠 FU Siyuan;JIANG Hong;SUI Yanbo;WANG Siqi;LIU Rui;CHEN Minfan(People’s Public Security University of China,Beijing 100038,China;Criminal Investigation Department of Gansu Police Vocational College,Lanzhou 730046,China;JINSP Company Limited,Beijing 100084,China)

机构地区：[1]中国人民公安大学,北京100038 [2]甘肃警察职业学院刑事侦查系,甘肃兰州730046 [3]北京鉴知技术有限公司,北京100084

出　　处：《中国测试》2024年第2期73-78,共6页China Measurement & Test

基　　金：中央高校基本科研业务费专项资金资助(2122JKF435)。

摘　　要：建立一种简便快速、无损检验护肤品的分析方法。利用傅里叶变换红外光谱法(FTIR)对51个护肤品样品进行检验,根据红外光谱中吸收峰的峰位进行分析后,重点选取波数范围为3500~2700 cm^(-1)和1700~1000 cm^(-1)区域的数据,结合主成分分析法(PCA)对光谱数据进行降维分析,并通过采用组间联接法度量该样本类间亲疏程度,采用欧氏距离作为度量个体间距离的依据,将变量Z分数标准化为N[0,1]后,进行系统聚类分析法(HCA)实现对护肤品分类情况的进一步验证和分析。根据光谱数据的处理和分析,护肤品样品可以被分为五大类,利用化学计量学方法可以将51个护肤品样品全部区分开。该实验方法操作简单,结果准确、重现性好,可为护肤品物证鉴定提供科学的依据,为公安工作开展提供有效的帮助。To establish a simple,fast,non-destructive method of inspecting skin care products.51 skin care samples were examined by Fourier transform infrared spectrometer(FTIR).After analysis according to the peak position of the absorption peaks in the infrared spectrum,focusing on the data in the wavenumber range of 3500 to 2700 cm^(−1)and 1700 to 1000 cm^(−1)regions,combined with principal component analysis(PCA),by measuring the degree of closeness between the sample classes,using the Euclidean distance as the basis for measuring the distance between individuals,standardizing the variable Z-scores to the N[0,1],system cluster analysis method(HCA)can achieve the further verification and analysis of skin care products classification situation.According to the processing and analysis of spectral data,skin care samples can be divided into five categories,and all the 51 skin care samples can be separated by using stoichiometric methods.The experimental method is simple,accurate and reproducible results,which provides scientific basis for the identification of skin care products and provides effective help for the public security work.

关 键 词：傅里叶变换红外光谱法 护肤品 化学计量学 分类 

分 类 号：TB9[一般工业技术—计量学] O657.33[机械工程—测试计量技术及仪器]