title: The problem of 2,4,6-trichloroanisole in cork planks studied by attenuated total reflection infrared spectroscopy: proof of concept.
abstract: Attenuated total reflection infrared spectroscopy (ATR-IR) proved to be a promising detection technique for 2,4,6-trichloroanisole (TCA), which confers organoleptic defects to bottled alcoholic beverages, allowing the proposal of a criterion for cork plank acceptance when meant for stopper production. By analysis of a significant number of samples, it was proved that the presence of TCA, even in very low concentrations, imparts subtle changes to the cork spectra, namely, the growth of two new bands at ∼1417 (νC═C of TCA ring) and 1314 cm–1 (a shifted νCC of TCA) and an increase in the relative intensities of the bands at ∼1039 cm–1 (δCO of polysaccharides) and ∼813 cm–1 (τCH of suberin), the latter by overlapping with intense bands of TCA. These relative intensities were evaluated in comparison to a fingerprint of suberin (νasC–O–C), at 1161 cm–1. On the basis of those spectral variables, a multivariate statistics linear analysis (LDA) was performed to obtain a discriminant function that allows classifying the samples according to whether they contain or not TCA. The methodology proposed consists of a demanding acceptance criterion for cork planks destined for stopper production (with the guarantee of nonexistence of TCA) that results from combining the quantitative results with the absence of the two TCA correlated bands. ATR infrared spectroscopy is a nondestructive and easy to apply technique, both on cork planks and on stoppers, and has proven more restrictive than other techniques used in the cork industry that analyze the cleaning solutions. At the level of proof of concept, the method here proposed is appealing for high-value stopper applications.
authors.forename: Ana R
authors.initials: AR
authors.lastname: Garcia
authors.forename: Luís F
authors.initials: LF
authors.lastname: Lopes
authors.forename: Ricardo
authors.initials: R
authors.lastname: Brito de Barros
authors.forename: Laura M
authors.initials: LM
authors.lastname: Ilharco
mesh_terms: D000840:Anisoles / Q000032:analysis*; D016002:Discriminant Analysis; D005506:Food Contamination; D018857:Food Packaging / Q000295:instrumentation; D009812:Odorants / Q000032:analysis; D011174:Portugal; D029963:Quercus / Q000737:chemistry*; D013055:Spectrophotometry, Infrared; D013649:Taste; D055549:Volatile Organic Compounds / Q000032:analysis*; D014920:Wine / Q000032:analysis
chemical_list: D000840:Anisoles; D055549:Volatile Organic Compounds; C110228:2,4,6-trichloroanisole