title: [Comparison of four multivariate calibration methods in simultaneous determination of air toxic organic compounds with FTIR spectroscopy].
abstract: The concentration determination abilities of four multivariate calibration methods--classical least squares (CLS), partial least squares (PLS), kalman filter method (KFM) and artificial neural network (ANN) were compared in this paper. Five air toxic organic compounds--1,3-butadiene, benzene, o-xylen, chlorobenzene, and acrolein--whose FTIR spectra seriously overlap each other were selected to compose the analytical objects. The evaluation criterion was according to the mean prediction error (MPE) and mean relative error (MRE). Results showed that PLS was superior to other methods when treating multicomponent analysis problem, while there was no comparable difference between CLS, KFM and ANN.
authors.affiliation: Laboratory of Advanced Spectroscopy, Nanjing University of Science and Technology, Nanjing 210014, China.
authors.forename: Yan
authors.initials: Y
authors.lastname: Li
authors.forename: Jun-de
authors.initials: JD
authors.lastname: Wang
authors.forename: Zuo-ru
authors.initials: ZR
authors.lastname: Chen
authors.forename: Xue-tie
authors.initials: XT
authors.lastname: Zhou
authors.forename: Zhong-hua
authors.initials: ZH
authors.lastname: Huang
mesh_terms: D000171:Acrolein / Q000032:analysis; D000393:Air Pollutants / Q000032:analysis*; D001554:Benzene / Q000032:analysis*; D002070:Butadienes / Q000032:analysis*; D002138:Calibration / Q000592:standards; D016018:Least-Squares Analysis; D016571:Neural Networks, Computer; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D014992:Xylenes / Q000032:analysis
chemical_list: D000393:Air Pollutants; D002070:Butadienes; D014992:Xylenes; D000171:Acrolein; D001554:Benzene; C031763:1,3-butadiene; C026114:2-xylene