title: Determination of capsaicinoids in habanero peppers by chemometric analysis of UV spectral data.
abstract: A novel spectrophotometric method for the determination of capsaicinoids in habanero pepper extracts is described that does not require prior analyte separation. The method uses partial-least-squares (PLS-1) multivariate regression modeling techniques in conjunction with ordinary UV absorption spectral data obtained on alcoholic extracts of habanero peppers (Capsicum chinese). The PLS-1 regression models were developed by correlating the known total concentration of the two major capsaicinoids (capsaicin and dihydrocapsaicin) in the extracts as determined by high-performance liquid chromatography with the spectral data. The regression models were subsequently validated with laboratory-prepared test sets. The validation studies revealed that the root-mean-square error of prediction varied from 4 to 8 ppm, based on the results obtained from models prepared from nine test sets. Once a regression model has been developed and validated, analyses of the extracts can be accomplished rapidly by ordinary spectrophotometric procedures without any prior separation steps.
authors.affiliation: Center for Analytical Spectroscopy, Department of Chemistry & Biochemistry, Baylor University, One Bear Place #97348, Waco, Texas 76798, USA.
authors.forename: Christopher B
authors.initials: CB
authors.lastname: Davis
authors.forename: Carolyn E
authors.initials: CE
authors.lastname: Markey
authors.forename: Marianna A
authors.initials: MA
authors.lastname: Busch
authors.forename: Kenneth W
authors.initials: KW
authors.lastname: Busch
mesh_terms: D002211:Capsaicin / Q000032:analysis*; D002212:Capsicum / Q000737:chemistry*; D002851:Chromatography, High Pressure Liquid; D010936:Plant Extracts / Q000737:chemistry; D012044:Regression Analysis; D013056:Spectrophotometry, Ultraviolet
chemical_list: D010936:Plant Extracts; D002211:Capsaicin