Quantitative Determination of Sucrose Adulterated in Red Ginseng by Terahertz Time-Domain Spectroscopy (THz-TDS) with Monte Carlo Uninformative Variable Elimination (MCUVE) and Support Vector Regression (SVR)
Shubao Pan, Huo Zhang, Zhi Li, Tao Chen, Xianhua Yin
{"title":"Quantitative Determination of Sucrose Adulterated in Red Ginseng by Terahertz Time-Domain Spectroscopy (THz-TDS) with Monte Carlo Uninformative Variable Elimination (MCUVE) and Support Vector Regression (SVR)","authors":"Shubao Pan, Huo Zhang, Zhi Li, Tao Chen, Xianhua Yin","doi":"10.1155/2022/5847819","DOIUrl":null,"url":null,"abstract":"This paper introduces a method to detect the content of sucrose, an adulterant of red ginseng, based on terahertz spectroscopy. Experiments were carried out on red ginseng with 6 levels of adulterated concentrations using terahertz time-domain spectroscopy (THz-TDS). We separately extracted the information of the terahertz spectral curve by principal component analysis (PCA) and Monte Carlo uninformative variable elimination (MCUVE) and then separately performed quantitative analysis by partial least squares regression (PLSR) and support vector regression (SVR). Because the nonlinear line factor in the terahertz spectral curve of red ginseng samples is considered, the MCUVE-SVR has high correlation coefficient (>0.99) and ratio prediction to deviation (>7.4), low root means square error of deviation (<1.2%), and Bias (<0.05%). The results prove that MCUVE-SVR can be regarded as an ideal quantitative analysis method in the detection of sucrose incorporation in red ginseng by terahertz spectroscopy.","PeriodicalId":1,"journal":{"name":"Accounts of Chemical Research","volume":null,"pages":null},"PeriodicalIF":16.4000,"publicationDate":"2022-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"4","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Accounts of Chemical Research","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1155/2022/5847819","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 4
Abstract
This paper introduces a method to detect the content of sucrose, an adulterant of red ginseng, based on terahertz spectroscopy. Experiments were carried out on red ginseng with 6 levels of adulterated concentrations using terahertz time-domain spectroscopy (THz-TDS). We separately extracted the information of the terahertz spectral curve by principal component analysis (PCA) and Monte Carlo uninformative variable elimination (MCUVE) and then separately performed quantitative analysis by partial least squares regression (PLSR) and support vector regression (SVR). Because the nonlinear line factor in the terahertz spectral curve of red ginseng samples is considered, the MCUVE-SVR has high correlation coefficient (>0.99) and ratio prediction to deviation (>7.4), low root means square error of deviation (<1.2%), and Bias (<0.05%). The results prove that MCUVE-SVR can be regarded as an ideal quantitative analysis method in the detection of sucrose incorporation in red ginseng by terahertz spectroscopy.
期刊介绍:
Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance.
Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.