title: NIRS and iSPA-PLS for predicting total anthocyanin content in jaboticaba fruit.
abstract: The aim of this study was to evaluate the potential of the successive projection algorithm for interval selection in partial least squares (iSPA-PLS) together with near-infrared reflectance spectroscopy (NIRS) as a feasible method to determine the total anthocyanin content (TAC) of intact jaboticaba fruit [Myrciaria jaboticaba (Vell.) O. Berg]. A total of 579 jaboticaba fruit were collected in three different harvests in three separate years (2011 and 2013). The correlation coefficients between the predicted and measured TAC were between 0.65 and 0.89, the RMSEPs were 7.55 g kg(-1) and 9.35 g kg(-1) (good accuracy) for prediction set, respectively. The RPD ratios for TAC were in the range of 2.57-3.19 with iSPA-PLS, which showed better predictive performance (acceptable precision). These results suggest that the NIR spectroscopy and wavelength selection (iSPA-PLS) algorithm can be used to determine the TAC of intact jaboticaba fruit.
authors.affiliation: USP, Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Departamento de Análises Clínicas, Toxicológicas e Bromatológicas, Av. do Café, s/n. Campus Universitário da USP, Ribeirão Preto, 14040-903 São Paulo, Brazil.
authors.forename: Nathália Cristina Torres
authors.initials: NC
authors.lastname: Mariani
authors.affiliation: UNESP, Faculdade de Ciências Agrárias e Veterinárias, Departamento de Produção Vegetal, Via de Acesso Prof. Paulo Donato Castellane s/n, Jaboticabal, 14884-900 São Paulo, Brazil.
authors.forename: Gustavo Henrique
authors.initials: GH
authors.lastname: de Almeida Teixeira
authors.affiliation: UFRN, Instituto de Química, PPGQ, Química Biológica e Quimiometria, 59072-970 Natal, RN, Brazil. Electronic address: kassiolima@gmail.com.br.
authors.forename: Kássio Michell Gomes
authors.initials: KM
authors.lastname: de Lima
authors.affiliation: USP, Faculdade de Medicina de Ribeirão Preto, Av. do Café, s/n, Campus Universitário da USP, Ribeirão Preto, 14040-903 São Paulo, Brazil.
authors.forename: Thayara Bittencourt
authors.initials: TB
authors.lastname: Morgenstern
authors.affiliation: USP, Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Departamento de Análises Clínicas, Toxicológicas e Bromatológicas, Av. do Café, s/n. Campus Universitário da USP, Ribeirão Preto, 14040-903 São Paulo, Brazil.
authors.forename: Viviani
authors.initials: V
authors.lastname: Nardini
authors.affiliation: USP, Faculdade de Ciências Farmacêuticas de Ribeirão Preto, Departamento de Análises Clínicas, Toxicológicas e Bromatológicas, Av. do Café, s/n. Campus Universitário da USP, Ribeirão Preto, 14040-903 São Paulo, Brazil.
authors.forename: Luís Carlos
authors.initials: LC
authors.lastname: Cunha Júnior
mesh_terms: D000872:Anthocyanins / Q000032:analysis / Q000737:chemistry*; D005638:Fruit / Q000737:chemistry*; D027822:Myrtaceae / Q000737:chemistry*; D010936:Plant Extracts / Q000737:chemistry*; D019265:Spectroscopy, Near-Infrared / Q000379:methods*
chemical_list: D000872:Anthocyanins; D010936:Plant Extracts
keywords: Jaboticaba; NIRS; PLS; Wavelength selection; iSPA-PLS