title: Direct detection of phoxim in water by two-dimensional correlation near-infrared spectroscopy combined with partial least squares discriminant analysis.
abstract: This paper has established a simple method to detect directly phoxim in water. In the light of two-dimensional correlation analysis, the band of wavenumber for near-infrared spectroscopy of the model is between 5364.8 and 7552.9 cm(-1), the rate of accuracy for partial least squares discriminant analysis to calibration set (n=149) is 100%, prediction set (n=75) is 93.3% and the overall rate of accuracy for all the samples is 97.8% under the limit of detection 1 μg ml(-1) owing to the spectra preprocessing by standard normal variate transformation and multiplicative scatter correction. It is made clear that this method (two-dimensional correlation analysis combined with partial least squares discriminant analysis) is effective to detect directly phoxim in water.
authors.affiliation: Center for Instrumental Analysis, China Pharmaceutical University, Key Laboratory of Drug Quality Control and Pharmacovigilance under the Ministry of Education, Tongjiaxiang 24, Nanjing 210009, Jiangsu Province, People's Republic of China.
authors.forename: Congying
authors.initials: C
authors.lastname: Gu
authors.forename: Bingren
authors.initials: B
authors.lastname: Xiang
authors.forename: Jianping
authors.initials: J
authors.lastname: Xu
mesh_terms: D002138:Calibration; D016002:Discriminant Analysis; D016018:Least-Squares Analysis; D008958:Models, Molecular; D009946:Organothiophosphorus Compounds / Q000032:analysis* / Q000737:chemistry; D019265:Spectroscopy, Near-Infrared / Q000379:methods*; D014867:Water / Q000032:analysis*
chemical_list: D009946:Organothiophosphorus Compounds; D014867:Water; C003135:phoxim