title: Quantitative determination of aflatoxin B1 concentration in acetonitrile by chemometric methods using terahertz spectroscopy.
abstract: Aflatoxins contaminate and colonize agricultural products, such as grain, and thereby potentially cause human liver carcinoma. Detection via conventional methods has proven to be time-consuming and complex. In this paper, the terahertz (THz) spectra of aflatoxin B1 in acetonitrile solutions with concentration ranges of 1-50μg/ml and 1-50μg/l are obtained and analyzed for the frequency range of 0.4-1.6THz. Linear and nonlinear regression models are constructed to relate the absorption spectra and the concentrations of 160 samples using the partial least squares (PLS), principal component regression (PCR), support vector machine (SVM), and PCA-SVM methods. Our results indicate that PLS and PCR models are more accurate for the concentration range of 1-50μg/ml, whereas SVM and PCA-SVM are more accurate for the concentration range of 1-50μg/l. Furthermore, ten unknown concentration samples extracted from mildewed maize are analyzed quantitatively using these methods.
authors.affiliation: College of Information Science and Engineering, Henan University of Technology, Zhengzhou, Henan 450001, China; Key Laboratory of Grain Information Processing and Control, Ministry of Education, Zhengzhou 450001, China.
authors.forename: Hongyi
authors.initials: H
authors.lastname: Ge
authors.affiliation: State Key Laboratory of Transducer Technology, Institute of Electronics, Chinese Academy of Sciences, Beijing 100080, China; University of the Chinese Academy of Sciences, Beijing 100080, China.
authors.forename: Yuying
authors.initials: Y
authors.lastname: Jiang
authors.affiliation: College of Information Science and Engineering, Henan University of Technology, Zhengzhou, Henan 450001, China; Key Laboratory of Grain Information Processing and Control, Ministry of Education, Zhengzhou 450001, China.
authors.forename: Feiyu
authors.initials: F
authors.lastname: Lian
authors.affiliation: Key Laboratory of Grain Information Processing and Control, Ministry of Education, Zhengzhou 450001, China. Electronic address: zhangyuan@haut.edu.cn.
authors.forename: Yuan
authors.initials: Y
authors.lastname: Zhang
authors.affiliation: State Key Laboratory of Transducer Technology, Institute of Electronics, Chinese Academy of Sciences, Beijing 100080, China.
authors.forename: Shanhong
authors.initials: S
authors.lastname: Xia
mesh_terms: D000097:Acetonitriles / Q000737:chemistry*; D016604:Aflatoxin B1 / Q000032:analysis*; D005506:Food Contamination / Q000032:analysis*; D006801:Humans; D016018:Least-Squares Analysis; D008962:Models, Theoretical; D060388:Support Vector Machine; D055068:Terahertz Spectroscopy / Q000379:methods*; D003313:Zea mays / Q000737:chemistry
chemical_list: D000097:Acetonitriles; D016604:Aflatoxin B1
keywords: Aflatoxin B1; PCR; PLS; Quantitative analysis; SVM; Terahertz spectroscopy