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: 2015
• 资助国家: 加拿大
• 起止时间: 2015-01-01 至 2016-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=570204
• 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.

该程序的目的是通过预测的自组装获得几个具有控制形状的新有机簇。然后仔细设计亚基，然后通过分子建模研究其自组装。群集通过弱相互作用组合在一起：H键和范德壁的触点。大多数亚基具有C3对称性，并且是由异常氨基酸制成的环状肽或顺式几何学的聚酰胺。环状肽亚基可以彼此堆叠，以生成具有非常强的偶极子（如α螺旋​​）或根本没有偶极子的导线或管。具有磁盘形状的另一类亚基可以形成像Buckminsterfullerene这样的T，O或I对称性的片片，可以封装金属和其他分子对象。这些类型的超分子可以在许多研究和技术领域中直接应用，例如生物运输，药物输送，传感，非线性光学元件，电导率，光子学，凝胶和其他新材料，催化等。