title: Determination of trace thiophanate-methyl and its metabolite carbendazim with teratogenic risk in red bell pepper (Capsicumannuum L.) by surface-enhanced Raman imaging technique.
abstract: Surface-enhanced Raman scattering (SERS) imaging coupling with multivariate analysis in spectral region of 200 to 1800cm-1was developed to quantify and visualize thiophanate-methyl (TM) and its metabolite carbendazim residues in red bell pepper (Capsicum annuum L.). Least squares support vector machines (LS-SVM) and support vector machines (SVM) models based on seven optimized characteristic peaks that showed SERS effects of TM and its metabolite carbendazim residues were employed to establish prediction models. SERS spectra with first derivative (1st) and second derivative (2nd) method were subsequently compared and the optimized model of 1st-LS-SVM acquired showed the best performance (RPD=6.08, R2P=0.986 and RMSEP=0.473). The results demonstrated that SERS imaging with multivariate analysis had the potential for rapid determination and visualization of the trace TM and its metabolite carbendazim residues in complex food matrices.
authors.affiliation: School of Food Science and Engineering, South China University of Technology, Guangzhou 510641, China; Academy of Contemporary Food Engineering, South China University of Technology, Guangzhou Higher Education Mega Center, Guangzhou 510006, China.
authors.forename: Jiang-Lin
authors.initials: JL
authors.lastname: Li
authors.affiliation: School of Food Science and Engineering, South China University of Technology, Guangzhou 510641, China; Academy of Contemporary Food Engineering, South China University of Technology, Guangzhou Higher Education Mega Center, Guangzhou 510006, China; Food Refrigeration and Computerized Food Technology (FRCFT), Agriculture and Food Science Centre, University College Dublin, National University of Ireland, Belfield, Dublin 4, Ireland. Electronic address: dawen.sun@ucd.ie.
authors.forename: Da-Wen
authors.initials: DW
authors.lastname: Sun
authors.affiliation: School of Food Science and Engineering, South China University of Technology, Guangzhou 510641, China; Academy of Contemporary Food Engineering, South China University of Technology, Guangzhou Higher Education Mega Center, Guangzhou 510006, China.
authors.forename: Hongbin
authors.initials: H
authors.lastname: Pu
authors.affiliation: Biosystems Engineering, University of Manitoba, Winnipeg, MB, Canada R3T 2N2.
authors.forename: Digvir S
authors.initials: DS
authors.lastname: Jayas
mesh_terms: D001562:Benzimidazoles / Q000032:analysis* / Q000633:toxicity; D002212:Capsicum / Q000737:chemistry*; D002219:Carbamates / Q000032:analysis* / Q000633:toxicity; D016018:Least-Squares Analysis; D013059:Spectrum Analysis, Raman / Q000379:methods*; D060388:Support Vector Machine; D013723:Teratogens / Q000633:toxicity; D013875:Thiophanate / Q000032:analysis*
chemical_list: D001562:Benzimidazoles; D002219:Carbamates; D013723:Teratogens; D013875:Thiophanate; C006698:carbendazim
keywords: Multivariate analysis; Surface-enhanced Raman imaging; Thiophanate-methyl; Vegetable