title: A comprehensive quality evaluation method by FT-NIR spectroscopy and chemometric: Fine classification and untargeted authentication against multiple frauds for Chinese Ganoderma lucidum.
abstract: The origins and authenticity against frauds are two essential aspects of food quality. In this work, a comprehensive quality evaluation method by FT-NIR spectroscopy and chemometrics were suggested to address the geographical origins and authentication of Chinese Ganoderma lucidum (GL). Classification for 25 groups of GL samples (7 common species from 15 producing areas) was performed using near-infrared spectroscopy and interval-combination One-Versus-One least squares support vector machine (IC-OVO-LS-SVM). Untargeted analysis of 4 adulterants of cheaper mushrooms was performed by one-class partial least squares (OCPLS) modeling for each of the 7 GL species. After outlier diagnosis and comparing the influences of different preprocessing methods and spectral intervals on classification, IC-OVO-LS-SVM with standard normal variate (SNV) spectra obtained a total classification accuracy of 0.9317, an average sensitivity and specificity of 0.9306 and 0.9971, respectively. With SNV or second-order derivative (D2) spectra, OCPLS could detect at least 2% or more doping levels of adulterants for 5 of the 7 GL species and 5% or more doping levels for the other 2 GL species. This study demonstrates the feasibility of using new chemometrics and NIR spectroscopy for fine classification of GL geographical origins and species as well as for untargeted analysis of multiple adulterants.
authors.affiliation: The Modernization Engineering Technology Research Center of Ethnic Minority Medicine of Hubei Province, School of Pharmaceutical Sciences, South-Central University for Nationalities, Wuhan 430074, PR China; Department of Food, Nutrition and Packaging Sciences, Clemson University, Clemson, SC 29634, USA. Electronic address: fuhaiyan@mail.scuec.edu.cn.
authors.forename: Haiyan
authors.initials: H
authors.lastname: Fu
authors.affiliation: The Modernization Engineering Technology Research Center of Ethnic Minority Medicine of Hubei Province, School of Pharmaceutical Sciences, South-Central University for Nationalities, Wuhan 430074, PR China.
authors.forename: Qiaobo
authors.initials: Q
authors.lastname: Yin
authors.affiliation: Institute of Applied Chemistry, College of Material and Chemical Engineering, Tongren University, Tongren 554300, Guizhou, PR China. Electronic address: lxchemo@163.com.
authors.forename: Lu
authors.initials: L
authors.lastname: Xu
authors.affiliation: Department of Food, Nutrition and Packaging Sciences, Clemson University, Clemson, SC 29634, USA.
authors.forename: Weizheng
authors.initials: W
authors.lastname: Wang
authors.affiliation: Department of Food, Nutrition and Packaging Sciences, Clemson University, Clemson, SC 29634, USA.
authors.forename: Feng
authors.initials: F
authors.lastname: Chen
authors.affiliation: The Modernization Engineering Technology Research Center of Ethnic Minority Medicine of Hubei Province, School of Pharmaceutical Sciences, South-Central University for Nationalities, Wuhan 430074, PR China.
authors.forename: Tianming
authors.initials: T
authors.lastname: Yang
mesh_terms: D055951:Functional Food / Q000032:analysis / Q000592:standards; D016018:Least-Squares Analysis; D008516:Medicine, Chinese Traditional / Q000592:standards; D020940:Reishi / Q000737:chemistry / Q000145:classification; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D019265:Spectroscopy, Near-Infrared / Q000379:methods*; D060388:Support Vector Machine
keywords: Chemometrics; Fine classification; Ganoderma lucidum (GL); Near-infrared spectroscopy (NIR); Untargeted analysis