Han Jeong Woo, Sholl David S
School of Chemical and Biomolecular Engineering, Georgia Institute of Technology, 311 Ferst Drive, Atlanta, Georgia 30332-0100, USA.
Langmuir. 2009 Sep 15;25(18):10737-45. doi: 10.1021/la901264e.
Density functional theory calculations have been used to study the adsorption of glycine, alanine, serine, and cysteine on the hydroxylated (0001) surface of alpha-quartz. We found negligible differences in adsorption energies for the most stable minima of enantiomers of alanine on this surface. There are, however, measurable energy differences between the two enantiomers of both serine and cysteine in their most stable states. The source of this enantiospecificity is mainly the difference in the strength of hydrogen bonds between the surface and the two enantiomers. Our results provide initial information on how amino acids can exhibit enantiospecific adsorption on hydroxylated quartz surfaces.
密度泛函理论计算已被用于研究甘氨酸、丙氨酸、丝氨酸和半胱氨酸在α-石英羟基化(0001)表面的吸附。我们发现丙氨酸对映体在该表面最稳定极小值处的吸附能量差异可忽略不计。然而，丝氨酸和半胱氨酸的两种对映体在其最稳定状态下存在可测量的能量差异。这种对映体特异性的来源主要是表面与两种对映体之间氢键强度的差异。我们的结果提供了关于氨基酸如何在羟基化石英表面表现出对映体特异性吸附的初步信息。
