分子结构和选择性的theophylline复杂化由二甲基N,N'-(1,3-phenylene) dicarbamate的形状变化
Juan Saulo González-González1, Alfonso Martínez-Santos1, María José Emparán-Legaspi2
1Instituto de Farmacobiología, Universidad de la Cañada, Carretera Teotitlán-San Antonio Nanahuatipán, km 1.7 s/n, Teotitlán de Flores Magón, Oaxaca 68540, Mexico.
概括
甲基N,N'-(1,3-) 二碳酸盐通过机械化学与神素 (TEO) 形成宿主-客人复合体. 这种选择性结合是由键驱动的,使TEO复合成为可能,同时排除了咖啡因 (CAF).
科学领域:
- 超分子化学 超分子化学
- 机械化学 机械化学
- 主机和客人的化学反应
背景情况:
- 甲基N,N'-(1,3-烯) 二碳酸盐作为宿主-客人复合中的受体.
- 理论素 (TEO) 和咖啡因 (CAF) 是人们感兴趣的常见客分子.
研究的目的:
- 用机械化学评估二甲基N,N'-(1,3-烯) 二碳酸盐在与TEO和CAF形成宿主-客体复合物的受体能力.
- 研究选择性复合体形成的机制.
主要方法:
- 主客复合体的机械化学合成.
- 红外 (IR) 光谱学.红外 (IR) 光谱学.红外 (IR) 光谱学.
- 固态13C核磁共振 (NMR) 光谱. 固态13C核磁共振 (NMR) 光谱.
- 单晶X射线衍射. 单晶X射线衍射.
- 粉末X射线衍射.粉末X射线衍射.
主要成果:
- 甲基N,N'-(1,3-烯) 二碳酸盐通过机械化学选择性地与神素 (TEO) 形成复合物.
- 复杂形成涉及受体的构造变化,由N-H...O=C与TEO的结合触发.
- 咖啡因 (CAF) 不形成必要的键,防止复合物的形成.
结论:
- 机械化学使得选择性宿主-客体复合物在乙烯N,N'-(1,3-烯) 二碳酸盐和西奥菲林之间形成.
- 结合相互作用对于驱动选择性结合所需的构造变化至关重要.
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