Abstract

We present the results of quantum-chemical simulation of two types of molecular complexes of glycine with phosphine oxide H₃PO, interacting through a proton or a Ca²⁺ cation. The formation of the glycine–Ca²⁺–phosphine oxide complex is energetically more favorable than the formation of a complex with a hydrogen bond. The results present hope that free amino acids can be used to decrease the concentration of calcium cations in regions damaged by calcifications.

中文翻译：

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甘氨酸与阳离子H +，Ca 2+和氧化膦H 3 PO的分子配合物

摘要

我们介绍了通过质子或Ca ²⁺阳离子相互作用的两种类型的甘氨酸与氧化膦H ₃ PO分子配合物的量子化学模拟结果。甘氨酸-Ca 2 ⁺ -氧化膦复合物的形成在能量上比具有氢键的复合物更有利。该结果表明希望游离氨基酸可用于降低钙化破坏的区域中钙阳离子的浓度。