da Costa Filho Paulo Augusto
Nestlé Research Centre, Vers-chez-les-blanc 26, PO Box 44, CH - 1000 Lausanne 26, Switzerland.
Anal Chim Acta. 2009 Jan 12;631(2):206-11. doi: 10.1016/j.aca.2008.10.049. Epub 2008 Oct 30.
This paper reports the results of a rapid method to determine sucrose in chocolate mass using near infrared spectroscopy (NIRS). We applied a broad-based calibration approach, which consists in putting together in one single calibration samples of various types of chocolate mass. This approach increases the concentration range for one or more compositional parameters, improves the model performance and requires just one calibration model for several recipes. The data were modelled using partial least squares (PLS) and multiple linear regression (MLR). The MLR models were developed using a variable selection based on the coefficient regression of PLS and genetic algorithm (GA). High correlation coefficients (0.998, 0.997, 0.998 for PLS, MLR and GA-MLR, respectively) and low prediction errors confirms the good predictability of the models. The results show that NIR can be used as rapid method to determine sucrose in chocolate mass in chocolate factories.
本文报道了一种使用近红外光谱（NIRS）快速测定巧克力浆中蔗糖含量的方法的结果。我们采用了一种广泛的校准方法，即将各种类型巧克力浆的样品组合在一起进行单一校准。这种方法增加了一个或多个成分参数的浓度范围，提高了模型性能，并且几个配方只需要一个校准模型。数据使用偏最小二乘法（PLS）和多元线性回归（MLR）进行建模。MLR模型是基于PLS的系数回归和遗传算法（GA）进行变量选择而开发的。高相关系数（PLS、MLR和GA-MLR分别为0.998、0.997、0.998）和低预测误差证实了模型具有良好的可预测性。结果表明，近红外光谱可作为巧克力工厂快速测定巧克力浆中蔗糖含量的方法。
