The hydrolysis process of Ru（III） complex （HL）[trans-RuC14L（dmso-S）] （L=l-methyl-l,2,4- triazole and dmso-S=S-dimethyl sulfoxide） （1）, a potential antitumor complex similar to the well-known antitumor agent （Him）[trans-RuC14 （dmso-S）（im）] （NAMI-A, im=imidazole）, was investigated using density functional theory combined with the conductor-like polarizable continuum model approach. Tile structural characteristics and the detailed energy profiles for the hydrolysis processes of this complex were obtained. For the first hydrolysis step, complex 1 has slightly higher barrier energies than the reported anticancer drug NAMI-A, and the result is in accordance with the experimental evidence indicating larger half-life for complex 1. For the second hydrolysis step, the formation of cis-diaqua species is thermodynamic preferred to that of trans isomers. In addition, on the basis of the analysis of electronic characteristics of species in the hydrolysis process, the trend in nucleophilic attack abilities of hydrolysis products by pertinent biomolecules is revealed and predicted.
目的评价广东医学院科技及协同创新工作效果。方法运用文献计量方法,以Web of Science的SCI和SSCI为数据源,通过文献量、年代、学科、著者、国家、研究机构、引文等指标对该校1993-2013年发表的文献进行了统计分析;结合社会网络分析法的运用,通过UCINET软件对合作机构网络关系分析,综合反映该校科研工作现状水平及协同创新工作基础。结果 2010年起,该校SCI和SSCI收录论文呈良好增长势头;20年来发表的研究文献分布于80个学科领域;共有784位作者(含合著);合作国家主要有美国、韩国、英国、日本、德国等国家;文献总被引次数为5 275次,排除自引的篇均被引次数为4.6次。结论广东医学院1993-2013年科技工作成效良好,协同创新态势良好。
