【摘要】 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。更多还原

【Abstract】 In this paper, according to UV and CD experiments of nine different bile saltbilirubin-Ca²⁺ ternary systems, a conformational model of the resulted ternary complexes was suggested. In order to clarify their conformations, UV and CD spectra of these ternary complexes have been simulated by means of "PPP-SCG-CI-DV", quantumchemical programme. Six optimum conformations may be grouped into two types, forwhich the results are in agreement with that of the spectroscopic experiments obtained.Based on them, the chiralities shown in CD spectra of nine different bile salt-biliru-bin-Ca²⁺ complexes were explained.更多还原