期刊
SURFACE SCIENCE
卷 678, 期 -, 页码 143-148出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.susc.2018.04.013
关键词
Histidine; Tyrosine; Graphite; STM; Molecular mechanics; AMBER ff03
The present study provides an experimental and computational insight into amino acid adsorption on a graphite substrate. We investigated two aromatic amino acids, histidine and tyrosine, and their behavior on highly-ordered pyrolytic graphite (HOPG). The study was carried out under ambient conditions, in a 1-octanol solution and at room temperature. We found that both amino acids form well-ordered molecular films on graphite, as opposed to dimer rows found for another amino acid (methionine). Scanning Tunneling Microscopy reveals intermolecular spacings and angular orientations of the individual molecules in the well-ordered molecular layer. Both amino acids arrange themselves into a chevron pattern governed by inter-molecular attractive forces. The configuration consists of adjacent rows of parallel molecules, however, individual molecules in neighboring rows are angled with respect to each other. Additional computational chemistry methods using a Molecular Mechanics approach and the AMBER ff03 force field are employed in support of the experimental findings. These calculations provide suggested molecular geometries and estimated adsorption energies and inter-molecular binding energies for molecules on a graphene sheet.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据