Niu Xiaoying, Shen Fei, Yu Yanfei, Yan Zhanke, Xu Kai, Yu Haiyan, Ying Yibin
College of Biosystems Engineering and Food Science, Zhejiang University, 268 Kaixuan Street, 310029 Hangzhou, People's Republic of China.
J Agric Food Chem. 2008 Aug 27;56(16):7271-8. doi: 10.1021/jf800993e. Epub 2008 Aug 5.
The feasibility of rapid analysis for oligosaccharides, including isomaltose, isomaltotriose, maltose, and panose, in Chinese rice wine by Fourier transform near-infrared (FT-NIR) spectroscopy together with partial least-squares regression (PLSR) was studied in this work. Forty samples of five brewing years (1996, 1998, 2001, 2003, and 2005) were analyzed by NIR transmission spectroscopy with seven optical path lengths (0.5, 1, 1.5, 2, 2.5, 3, and 5 mm) between 800 and 2500 nm. Calibration models were established by PLSR with full cross-validation and using high-performance anion-exchange chromatography coupled with pulsed amperometric detection as a reference method. The optimal models were obtained through wavelength selection, in which the correlation coefficients of calibration (r(cal)) for the four sugars were 0.911, 0.938, 0.925, and 0.966, and the root-mean-square errors of calibrations were 0.157, 0.147, 0.358, and 0.355 g/L, respectively. The validation accuracy of the four models, with correlation coefficients of cross-validation (r(cv)) being 0.718, 0.793, 0.681, and 0.873, were not very satisfactory. This might be due to the low concentrations of the four sugars in Chinese rice wine and the influence of some components having structures similar to those of the four sugars. The results obtained in this study indicated that the NIR spectroscopy technique offers screening capability for isomaltose, isomaltotriose, maltose, and panose in Chinese rice wine. Further studies with a larger Chinese rice wine sample should be done to improve the specificity, prediction accuracy, and robustness of the models.
本研究探讨了采用傅里叶变换近红外(FT-NIR)光谱结合偏最小二乘回归(PLSR)对中国黄酒中的低聚糖(包括异麦芽糖、异麦芽三糖、麦芽糖和潘糖)进行快速分析的可行性。采用近红外透射光谱法,在800至2500nm之间,对五个酿造年份(1996年、1998年、2001年、2003年和2005年)的40个样品进行了分析,光路长度分别为7种(0.5、1、1.5、2、2.5、3和5mm)。通过PLSR建立校准模型,并进行全交叉验证,同时使用高效阴离子交换色谱-脉冲安培检测法作为参考方法。通过波长选择获得了最佳模型,四种糖的校准相关系数(r(cal))分别为0.911、0.938、0.925和0.966,校准均方根误差分别为0.157、0.147、0.358和0.355g/L。四个模型的交叉验证相关系数(r(cv))分别为0.718、0.793、0.681和0.873,验证准确性不太令人满意。这可能是由于中国黄酒中这四种糖的浓度较低,以及一些结构与这四种糖相似的成分的影响。本研究结果表明,近红外光谱技术可为中国黄酒中的异麦芽糖、异麦芽三糖、麦芽糖和潘糖提供筛选能力。应进一步对更大的中国黄酒样品进行研究,以提高模型的特异性、预测准确性和稳健性。