关键词: 其它基金, 分子设计, 二聚体, 计算机模拟, 分子识别, 雌二醇, 受体, 有机合成

Four novel molecular tweezers 1～4 were designed and synthesized. Their structures were identified by MS, ^1H NMR, IR spectras and elemental analyses. Computer-based molecular modelling and the complexation studies showed that these new receptors are suitable to recognition of aromatic amine guest moleculars and the recognition major forces orignated from hydrogen-bonding, π-π stacking between aromatic residues and hydrophobic interactions.

Key words: DIMER, COMPUTERIZED SIMULATION, MOLECULAR DESIGN, ACCEPTOR, RESPONSIBLE, OLECULAR RECOGNITION, ORGANIC SYNTHESIS