title: Geographical traceability of Marsdenia tenacissima by Fourier transform infrared spectroscopy and chemometrics.
abstract: A combination of Fourier transform infrared spectroscopy with chemometrics tools provided an approach for studying Marsdenia tenacissima according to its geographical origin. A total of 128 M. tenacissima samples from four provinces in China were analyzed with FTIR spectroscopy. Six pattern recognition methods were used to construct the discrimination models: support vector machine-genetic algorithms, support vector machine-particle swarm optimization, K-nearest neighbors, radial basis function neural network, random forest and support vector machine-grid search. Experimental results showed that K-nearest neighbors was superior to other mathematical algorithms after data were preprocessed with wavelet de-noising, with a discrimination rate of 100% in both the training and prediction sets. This study demonstrated that FTIR spectroscopy coupled with K-nearest neighbors could be successfully applied to determine the geographical origins of M. tenacissima samples, thereby providing reliable authentication in a rapid, cheap and noninvasive way.
authors.affiliation: Institute of Chinese Medicinal Materials, Nanjing Agricultural University, Nanjing 210095, PR China.
authors.forename: Chao
authors.initials: C
authors.lastname: Li
authors.affiliation: Institute of Chinese Medicinal Materials, Yunnan Agricultural University, Kunming 605201, PR China. Electronic address: shengchaoyang@163.com.
authors.forename: Sheng-Chao
authors.initials: SC
authors.lastname: Yang
authors.affiliation: Institute of Chinese Medicinal Materials, Nanjing Agricultural University, Nanjing 210095, PR China. Electronic address: gqs@njau.edu.cn.
authors.forename: Qiao-Sheng
authors.initials: QS
authors.lastname: Guo
authors.affiliation: Institute of Chinese Medicinal Materials, Nanjing Agricultural University, Nanjing 210095, PR China.
authors.forename: Kai-Yan
authors.initials: KY
authors.lastname: Zheng
authors.affiliation: Yunnan Xintong Botanic Pharmaceutical Co., Ltd., Mengzi 661100, PR China.
authors.forename: Ping-Li
authors.initials: PL
authors.lastname: Wang
authors.affiliation: Institute of Chinese Medicinal Materials, Yunnan Agricultural University, Kunming 605201, PR China.
authors.forename: Zhen-Gui
authors.initials: ZG
authors.lastname: Meng
mesh_terms: D000465:Algorithms; D002681:China; D005843:Geography; D031101:Marsdenia / Q000737:chemistry* / Q000145:classification; D010363:Pattern Recognition, Automated / Q000379:methods*; D025341:Principal Component Analysis; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D060388:Support Vector Machine
keywords: Chemometrics; FTIR spectroscopy; Geographical traceability; Marsdenia tenacissima; Pattern recognition