title: Direct and simultaneous detection of organic and inorganic ingredients in herbal powder preparations by Fourier transform infrared microspectroscopic imaging.
abstract: Herbal powder preparation is a kind of widely-used herbal product in the form of powder mixture of herbal ingredients. Identification of herbal ingredients is the first and foremost step in assuring the quality, safety and efficacy of herbal powder preparations. In this research, Fourier transform infrared (FT-IR) microspectroscopic identification method is proposed for the direct and simultaneous recognition of multiple organic and inorganic ingredients in herbal powder preparations. First, the reference spectrum of characteristic particles of each herbal ingredient is assigned according to FT-IR results and other available information. Next, a statistical correlation threshold is determined as the lower limit of correlation coefficients between the reference spectrum and a larger number of calibration characteristic particles. After validation, the reference spectrum and correlation threshold can be used to identify herbal ingredient in mixture preparations. A herbal ingredient is supposed to be present if correlation coefficients between the reference spectrum and some sample particles are above the threshold. Using this method, all kinds of herbal materials in powder preparation Kouqiang Kuiyang San are identified successfully. This research shows the potential of FT-IR microspectroscopic identification method for the accurate and quick identification of ingredients in herbal powder preparations.
authors.affiliation: Key Laboratory of Bioorganic Phosphorus Chemistry & Chemical Biology (Ministry of Education), Department of Chemistry, Tsinghua University, Beijing 100084, China.
authors.forename: Jian-Bo
authors.initials: JB
authors.lastname: Chen
authors.affiliation: Key Laboratory of Bioorganic Phosphorus Chemistry & Chemical Biology (Ministry of Education), Department of Chemistry, Tsinghua University, Beijing 100084, China.
authors.forename: Su-Qin
authors.initials: SQ
authors.lastname: Sun
authors.affiliation: Key Laboratory for New drugs Research of Traditional Chinese Medicine (TCM), Research Institute of Tsinghua University in Shenzhen, Shenzhen 518057, China.
authors.forename: Xu-Dong
authors.initials: XD
authors.lastname: Tang
authors.affiliation: Key Laboratory for New drugs Research of Traditional Chinese Medicine (TCM), Research Institute of Tsinghua University in Shenzhen, Shenzhen 518057, China.
authors.forename: Jing-Zhao
authors.initials: JZ
authors.lastname: Zhang
authors.affiliation: Key Laboratory of Bioorganic Phosphorus Chemistry & Chemical Biology (Ministry of Education), Department of Chemistry, Tsinghua University, Beijing 100084, China. Electronic address: zhouqun@tsinghua.edu.cn.
authors.forename: Qun
authors.initials: Q
authors.lastname: Zhou
mesh_terms: D000465:Algorithms; D004365:Drugs, Chinese Herbal / Q000737:chemistry*; D011208:Powders; D011786:Quality Control; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*
chemical_list: D004365:Drugs, Chinese Herbal; D011208:Powders
keywords: ATR-FTIR imaging; Correlation coefficients; Herbal powder preparation; Quality control; Traditional Chinese medicine