设计自组装玫瑰花结：为何氨茴内酰胺是比三聚氰胺更优良的构建单元。
Designing Self-Assembled Rosettes: Why Ammeline is a Superior Building Block to Melamine.
作者信息
Petelski André Nicolai, Fonseca Guerra Célia
机构信息
Department of Theoretical Chemistry, Amsterdam Center for Multiscale Modeling Vrije Universiteit Amsterdam De Boelelaan 1083 1081 HV Amsterdam The Netherlands.
Departamento de Ingeniería Química Grupo de Investigación en Química Teórica y Experimental (QuiTEx) Facultad Regional Resistencia Universidad Tecnológica Nacional French 414 H3500CHJ Resistencia Chaco Argentina.
出版信息
ChemistryOpen. 2019 Jan 14;8(2):134. doi: 10.1002/open.201900001. eCollection 2019 Feb.
Invited for this month's cover picture are Professor Célia Fonseca Guerra from Vrije Universiteit Amsterdam and Leiden University (The Netherlands) and André Nicolai Petelski from UTN-FRRe University of Argentine (Argentina). The cover picture shows a colored pallet of melamine and ammeline tautomers that form hydrogen-bonded hexameric rosettes. When it comes to self-assembling capabilities, one of the ammeline structures (red) is shown to be distinctly superior to melamine, both in the gas phase and in water. Quantum chemical computations explain that this is due to the presence of stronger pair interactions and the manifestation of a large cooperativity effect. Read the full text of their Full Paper at 10.1002/open.201800210.
本期封面图片的受邀者是来自荷兰阿姆斯特丹自由大学和莱顿大学的西莉亚·丰塞卡·格拉教授，以及来自阿根廷UTN - FRRe大学的安德烈·尼古拉·彼得尔斯基。封面图片展示了三聚氰胺和三聚氰酸一酰胺互变异构体的彩色拼盘，它们形成了氢键连接的六聚体玫瑰花结。在自组装能力方面，三聚氰酸一酰胺的一种结构（红色）在气相和水中均显示出明显优于三聚氰胺。量子化学计算表明，这是由于存在更强的成对相互作用以及大协同效应的表现。在10.1002/open.201800210阅读他们的全文。
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