Srilakshmi Chilukoti, Widjaja Effendi, Anderson Bruce G, Garland Marc
Institute of Chemical and Engineering Sciences, 1 Pesek Road, Jurong Island, Singapore 627833, Singapore; Schuit Institute of Catalysis, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven, The Netherlands.
Talanta. 2007 Apr 30;72(2):847-53. doi: 10.1016/j.talanta.2006.11.037. Epub 2007 Jan 2.
Fourier transform Raman spectra of eight mixtures of four organic solids, namely dicyandiamide, melamine, acetamide and urea were measured. Matrices formed from these spectra were first subjected to singular value decomposition to obtain the right singular vectors. The right singular vectors were then subjected to blind source separation using band-target entropy minimization (BTEM), thus no a priori information (i.e. involving the nature of the components present, their spectra, nor their concentrations) was included in the analysis. The recovered pure component spectra are of exceptionally high quality and are consistent with pure reference spectra. Various empirical and statistical tests, such as the Euclidean norm and target transform factor analysis, were employed to assess the quality of the recovered spectra. The present results indicate the applicability of combined Raman and BTEM analysis for solid mixtures.
测量了四种有机固体（即双氰胺、三聚氰胺、乙酰胺和尿素）的八种混合物的傅里叶变换拉曼光谱。由这些光谱形成的矩阵首先进行奇异值分解以获得右奇异向量。然后使用带目标熵最小化（BTEM）对右奇异向量进行盲源分离，因此分析中不包括先验信息（即涉及存在的组分的性质、它们的光谱及其浓度）。恢复的纯组分光谱具有极高的质量，并且与纯参考光谱一致。采用了各种经验和统计测试，如欧几里得范数和目标变换因子分析，以评估恢复光谱的质量。目前的结果表明拉曼光谱和BTEM分析相结合对固体混合物的适用性。
