Instituto de Biologia Experimental e Tecnológica, Apartado 12, 2780 - 901 Oeiras, Portugal; Instituto de Tecnologia Química e Biológica, Av. da República, Estação Agronómica Nacional, 2780-157 Oeiras, Portugal.
Instituto de Biologia Experimental e Tecnológica, Apartado 12, 2780 - 901 Oeiras, Portugal.
Food Chem. 2014 May 1;150:489-93. doi: 10.1016/j.foodchem.2013.11.028. Epub 2013 Nov 15.
Fourier transform infrared spectroscopy (FTIR) attenuated total reflectance (ATR) was applied for the determination of total phenolic and flavonoid contents and antioxidant capacity (DPPH and FRAP assays) in Moscatel dessert wines (n=56). Prediction models were developed for the referred parameters using Partial Least Squares (PLS) considering the spectral region 1800-900cm(-1). The determination coefficients (r(2)) values in the calibration models ranged from 0.670 to 0.870. Cross validation (leave-one-out technique) was applied to the data. Root mean square errors of calibration (RMSEC) and cross validation (RMSECV) as well as the relative errors of prediction (REP) were calculated. Minimum errors of prediction were obtained for total flavonoid content (0.2%) and maximum values (22%) for antioxidant capacity measured by FRAP. The proposed method may be used for rapid screening of total phenolic and flavonoid contents in Moscatel dessert wines. The implemented methodologies may also be used to get rough estimates for DPPH and FRAP antioxidant capacities.
傅里叶变换红外光谱（FTIR）衰减全反射（ATR）技术用于测定莫斯卡托甜酒中的总酚和总黄酮含量以及抗氧化能力（DPPH 和 FRAP 测定法）（n=56）。采用偏最小二乘法（PLS）考虑光谱区域 1800-900cm(-1) ，为这些参数建立了预测模型。校准模型中的决定系数（r(2)）值范围为 0.670 至 0.870。对数据应用了交叉验证（留一法）。计算了校准的均方根误差（RMSEC）和交叉验证（RMSECV）以及预测的相对误差（REP）。对于 FRAP 法测定的总黄酮含量（0.2%）和抗氧化能力（22%），预测误差最小。该方法可用于快速筛选莫斯卡托甜酒中的总酚和总黄酮含量。所采用的方法还可用于获得 DPPH 和 FRAP 抗氧化能力的大致估计值。
