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傅里叶变换红外光谱法和偏最小二乘回归法在黑巧克力生物活性胺、总酚类化合物及抗氧化潜力评估中的应用

FTIR and PLS-regression in the evaluation of bioactive amines, total phenolic compounds and antioxidant potential of dark chocolates.

作者信息

Deus Valterney L, Resende Laís M, Bispo Eliete S, Franca Adriana S, Gloria Maria Beatriz A

机构信息

LBqA & CEDAFAR, Faculdade de Farmácia, Universidade Federal de Minas Gerais, Av. Antônio Carlos 6627, Belo Horizonte, MG 31270-901, Brazil; PPGCA, Universidade Federal de Minas Gerais, Av. Antônio Carlos, 6627, Belo Horizonte, MG, 31270-901, Brazil.

PPGCA, Universidade Federal de Minas Gerais, Av. Antônio Carlos, 6627, Belo Horizonte, MG, 31270-901, Brazil.

出版信息

Food Chem. 2021 Apr 20;357:129754. doi: 10.1016/j.foodchem.2021.129754.

DOI:10.1016/j.foodchem.2021.129754
PMID:33894573
Abstract

Cloning techniques are used to improve agronomical traits and answer to the demand for fine chocolate. The objective of this study was to predict the concentrations of bioactive amines, phenolic compounds, and the antioxidant potential of dark monoclonal chocolate from nine fine cocoa varieties by FTIR analysis and conventional techniques. Total phenolic compounds, bioactive amines and antioxidant activity varied significantly among chocolates. The antioxidant activity was also affected by the analytical method (DPPH vs. Rancimat). Chemometric models based on FTIR data provided satisfactory predictions of the concentrations of the amines: spermidine (R = 0.92; RMSEP = 0.39; RMSEC = 0.21), tryptamine (R = 0.92; RMSEP = 0.41; RMSEC = 0.20), cadaverine (R = 0.82; RMSEP = 1.58; RMSEC = 0.75) and tyramine (R = 0.87; RMSEP = 1.87; RMSEC = 0.68); as well as phenolic compounds and antioxidant activity by Rancimat® (R = 0.98; RMSEP = 0.32; RMSEC = 0.21) and DPPH (R = 0.97; RMSEP = 4.05; RMSEC = 1.66). The wavenumbers of amines vibrations are among those that most affected antioxidant prediction models, confirming the contribution of amines to the antioxidant activity of chocolates.

摘要

克隆技术被用于改善农艺性状并满足对优质巧克力的需求。本研究的目的是通过傅里叶变换红外光谱(FTIR)分析和传统技术预测9个优质可可品种的深色单克隆巧克力中生物活性胺、酚类化合物的浓度以及抗氧化潜力。巧克力中总酚类化合物、生物活性胺和抗氧化活性差异显著。抗氧化活性还受分析方法(二苯基苦味酰基自由基法与Rancimat法)的影响。基于FTIR数据的化学计量学模型对胺类浓度提供了令人满意的预测:亚精胺(R = 0.92;预测均方根误差RMSEP = 0.39;校正均方根误差RMSEC = 0.21)、色胺(R = 0.92;RMSEP = 0.41;RMSEC = 0.20)、尸胺(R = 0.82;RMSEP = 1.58;RMSEC = 0.75)和酪胺(R = 0.87;RMSEP = 1.87;RMSEC = 0.68);以及通过Rancimat®法(R = 0.98;RMSEP = 0.32;RMSEC = 0.21)和二苯基苦味酰基自由基法(DPPH)(R = 0.97;RMSEP = 4.05;RMSEC = 1.66)对酚类化合物和抗氧化活性的预测。胺类振动的波数是对抗氧化预测模型影响最大的因素之一,证实了胺类对巧克力抗氧化活性的贡献。

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