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根据九种胆汁酸盐-胆红素-钙离子三元体系的UV和CD实验所见,提出一种所形成的三元复合物的构象模型。利用PPP-SCF-CI-DV量子化学程序拟合有关的UV和CD谱,研究三元复合物的构象性质。得到两类六种与光谱学实验符合的胆红素分子的最佳构象。利用它们可以解释九种胆汁酸盐-胆红素-钙离子三元复合物表现在园二色谱中的手性性质。
Based on the UV and CD experiments of nine bile acid salt-bilirubin-calcium ion ternary systems, a conformational model of the ternary complex formed was proposed. The conformational properties of the ternary complex were investigated by fitting the relevant UV and CD spectra using the PPP-SCF-CI-DV quantum chemistry program. The best conformations of two types of six bilirubin molecules in agreement with the spectroscopic experiments are obtained. Using them, it is possible to explain the chiral properties of the nine bile acid salt-bilirubin-calcium ternary complexes exhibited in the CD spectra.