Theoretical design, synthesis and characterization of novel organic self-assembling materials. Conception, Synthèse et Caractérisation de Nouveaux Matériaux Auto-Assemblés.

新型有机自组装材料的理论设计、合成与表征。

• 批准号: 218405-2011
• 负责人: Dory, Yves
• 金额: $ 2.55万
• 依托单位: Université de Sherbrooke
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2011
• 资助国家: 加拿大
• 起止时间: 2011-01-01 至 2012-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=478125
• 关键词: Theoretical; design; synthesis; characterization; novel

The goal of the program is to obtain several new organic clusters having controlled shapes through predicted self-assembly. The subunits are then carefully designed and their self-assembly is then studied by molecular modelling. The clusters are held together by means of weak interactions: H-bonds and van der Walls contacts. Most subunits have C3 symmetry and are either cyclic peptides made from unusual amino acids or polyamides of cis geometry. The cyclic peptides subunits can stack on top of each other to generate wires or tubes having either very strong dipoles like alpha helices or no dipole at all. The other type of subunits having disk shapes can either form sheets like graphite or balls of T, O or I symmetry like buckminsterfullerene, that could encapsulate metals and other molecular objects. Supermolecules of these types could have direct applications in many areas of research and technology such as biological transport, drug delivery, sensing, non-linear optics, conductivity, photonics, gels and other new materials, catalysis, etc.

该计划的目标是通过预测的自组装获得几个新的具有可控形状的有机团簇。然后仔细设计亚基，然后通过分子建模研究它们的自组装。团簇通过弱相互作用结合在一起：氢键和货车德瓦尔斯接触。大多数亚基具有C3对称性，并且是由不寻常的氨基酸或顺式几何构型的聚酰胺制成的环肽。环肽亚基可以彼此堆叠以产生具有非常强的偶极如α螺旋或根本没有偶极的线或管。另一种圆盘状的亚基既可以形成石墨片，也可以形成巴克敏斯特富勒烯（buckminsterfullerene）等T、O或I对称的球，它们可以封装金属和其他分子物体。这些类型的超分子可以直接应用于许多研究和技术领域，例如生物运输，药物递送，传感，非线性光学，导电性，光子学，凝胶和其他新材料，催化等。