title: Development and analytical validation of a screening method for simultaneous detection of five adulterants in raw milk using mid-infrared spectroscopy and PLS-DA.
abstract: This paper proposed a new screening method for the simultaneous detection of five common adulterants in raw cow milk by using attenuated total reflectance (ATR) mid infrared spectroscopy and multivariate supervised classification (partial least squares discrimination analysis - PLSDA). The method was able to detect the presence of the adulterants water, starch, sodium citrate, formaldehyde and sucrose in milk samples containing from one up to five of these analytes, in the range of 0.5-10% w/v. A multivariate qualitative validation was performed, estimating specific figures of merit, such as false positive and false negative rates, selectivity, specificity and efficiency rates, accordance and concordance. The proposed method does not need any sample pretreatment, requires a small amount of sample (30 μL), is fast and simple, being suitable for the control of raw milk in a dairy industry or for the quality inspection of commercialized milk.
authors: Departamento de Química, ICEx, Universidade Federal de Minas Gerais, 31270-901 Belo Horizonte, MG, Brazil.
authors: Bruno G
authors: BG
authors: Botelho
authors: Faculdade de Farmácia, Universidade Federal de Minas Gerais, 31270-901 Belo Horizonte, MG, Brazil.
authors: Nádia
authors: N
authors: Reis
authors: Faculdade de Farmácia, Universidade Federal de Minas Gerais, 31270-901 Belo Horizonte, MG, Brazil.
authors: Leandro S
authors: LS
authors: Oliveira
authors: Departamento de Química, ICEx, Universidade Federal de Minas Gerais, 31270-901 Belo Horizonte, MG, Brazil; Instituto Nacional de Ciência e Tecnologia em Bioanalítica (INCT Bio), 13083-970, Campinas, SP, Brazil. Electronic address: marcsen@ufmg.br.
authors: Marcelo M
authors: MM
authors: Sena
mesh_terms: D000818:Animals; D002417:Cattle; D005260:Female; D005506:Food Contamination; D016018:Least-Squares Analysis; D008892:Milk / Q000737:chemistry*; D013055:Spectrophotometry, Infrared / Q000379:methods*
keywords: Adulteration; FT-IR; Milk; Partial least squares discriminant analysis; Qualitative validation; Screening analysis