Fakayode Sayo O, Williams Alicia A, Busch Marianna A, Busch Kenneth W, Warner Isiah M
Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803, USA.
J Fluoresc. 2006 Sep;16(5):659-70. doi: 10.1007/s10895-006-0104-x. Epub 2006 Jul 7.
Steady-state fluorescence spectroscopy was employed to investigate the use of chiral polymeric surfactants as chiral selectors in chiral analysis by multivariate regression modeling of spectral data. Partial-least-squares regression modeling (PLS-1) was used to correlate changes in the fluorescence spectral data of 1,1'-bi-2-naphthol (BOH), 1,1'-binaphthyl-2,2'-diamine (BNA), or 2,2,2-trifluoroanthrylethanol (TFA) in the presence of poly(sodium N-undecanoyl-L-leucylvalinate), poly(sodium N-undecanoyl-L-leucinate) or poly(sodium N-undecanoyl-L-valinate) as the enantiomeric composition of the chiral analytes was varied. The regression models produced from the spectral data were validated by determining the enantiomeric composition of independently prepared test solutions. The ability of the model to correctly predict the enantiomeric composition of future samples was evaluated using the root-mean-square percent-relative error (RMS%RE) of prediction. In terms of RMS%RE, the ability of the model to accurately predict the enantiomeric composition of future samples was dependent on the chiral analyte, the polymeric surfactant used, and the surfactant medium, and ranged between 1.57 and 6.10%. Chiral analyte concentrations as low as 5 x 10(-6) M were found to give regression models with good predictability.
采用稳态荧光光谱法,通过对光谱数据进行多元回归建模,研究手性聚合物表面活性剂作为手性选择剂在手性分析中的应用。使用偏最小二乘回归建模(PLS-1),将在聚(N-十一烷酰-L-亮氨酰缬氨酸钠)、聚(N-十一烷酰-L-亮氨酸钠)或聚(N-十一烷酰-L-缬氨酸钠)存在下,1,1'-联-2-萘酚(BOH)、1,1'-联萘基-2,2'-二胺(BNA)或2,2,2-三氟蒽乙醇(TFA)的荧光光谱数据变化与手性分析物对映体组成的变化相关联。通过测定独立制备的测试溶液的对映体组成,对由光谱数据生成的回归模型进行验证。使用预测的均方根百分比相对误差(RMS%RE)评估模型正确预测未来样品对映体组成的能力。就RMS%RE而言,模型准确预测未来样品对映体组成的能力取决于手性分析物、所用的聚合物表面活性剂和表面活性剂介质,范围在1.