Institute of Chemistry, University of Campinas (IQ/UNICAMP), Brazil; Instituto Nacional de Ciência e Tecnologia em Bioanalítica (INCTBio), Brazil.
Anal Chim Acta. 2013 Sep 24;796:130-6. doi: 10.1016/j.aca.2013.07.071. Epub 2013 Aug 6.
In this paper, a method to determine the composition of blends of biodiesel with mineral diesel (BXX) by multivariate curve resolution with Alternating Least Squares (MRC-ALS) combined to comprehensive two-dimensional gas chromatography with Flame Ionization Detection (GC×GC-FID) is presented. Chromatographic profiles of BXX blends produced with biodiesels from different sources were used as input data. An initial evaluation carried out after multiway principal component analysis (MPCA) was used to reveal regions of the chromatograms were the signal was likely to be dependent on the concentration of biodiesel, regardless its vegetable source. After this preliminary step MCR-ALS modeling was carried out only using relevant parts of the chromatograms. The resulting procedure was able to predict accurately the concentration of biodiesel in the BXX samples regardless of its origin.
本文提出了一种通过交替最小二乘法（MRC-ALS）与全二维气相色谱-火焰离子化检测联用的多元曲线分辨（MRC-ALS）方法来测定生物柴油与矿物柴油（BXX）混合物组成的方法。使用不同来源的生物柴油制备的 BXX 混合物的色谱图作为输入数据。在进行多向主成分分析（MPCA）后进行的初步评估用于揭示色谱图中信号可能依赖于生物柴油浓度的区域，而与其植物来源无关。经过这一初步步骤，仅使用色谱图的相关部分进行 MCR-ALS 建模。所得到的程序能够准确预测 BXX 样品中生物柴油的浓度，而与其来源无关。
