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Molecular Recognition of Chiral Zinc Porphyrin with Amino Acid Esters

机译:氨基酸酯对手性锌卟啉的分子识别

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摘要

One kind of novel chiral porphyrin and its zinc complex were synthesized and characterized. The molecular recognition of chiral zinc porphyrin towards amino acid esters in CHCl3 was investigated by UV-vis spectral titration method. The associative constants of the molecular recognition reactions were all KD>KL and followed the order of K(PheOMe)>K(LeuOMe)>K(ValOMe)>K(AlaOMe) in host (Zn(L-BocTyr)TAPP). Circular dichroism spectra were used to explain chiral molecular recognition. The minimal energy conformation of host-guest molecular system was sought by molecular dynamics method. The molecular recognition process of this host-guest system was calculated by quantum chemistry and the results were explained by the experiments
机译:合成并表征了一种新型的手性卟啉及其锌配合物。采用紫外可见光谱滴定法研究了手性卟啉锌对CHCl3中氨基酸酯的分子识别作用。在宿主(Zn(L-BocTyr)TAPP)中,分子识别反应的缔合常数均为KD> ​​KL,并遵循K(PheOMe)> K(LeuOMe)> K(ValOMe)> K(AlaOMe)的顺序。圆二色性光谱用于解释手性分子识别。通过分子动力学方法寻求客体分子系统的最小能量构象。通过量子化学计算了该主客体系统的分子识别过程,并通过实验对结果进行了解释。

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