Design, Synthesis and Characterization of Self-Assembling Nanotubes and Nanospheres

自组装纳米管和纳米球的设计、合成和表征

• 批准号: RGPIN-2017-05409
• 负责人: Dory, Yves
• 金额: $ 2.04万
• 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: 2018
• 资助国家: 加拿大
• 起止时间: 2018-01-01 至 2019-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=649498
• 关键词: Design; Synthesis; Characterization; Self; Assembling

The goal of the program is to obtain several new organic clusters having controlled shapes, tubes and spheres, through predicted self-assembly. The tubular and spherical clusters that we are targeting are held together by means of weak interactions: H-bonds and van der Walls contacts.****** Most sub-units leading to tubes have C3, Ci and S2 symmetry and are either cyclic peptides made from unusual amino-acids or polyamides of cis geometry. The cyclic peptides sub-units 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 sub-units 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…****** The program is based on an iterative process involving all the following steps to finally get a complete structure – properties relationship chart:***Step 1) The sub-units will be carefully designed and their self-assembly will be studied by molecular modelling. ***Step 2) The synthesis of the sub-units will be carried out in the laboratory.***Step 3) Their self-assembly and the properties of the supramolecular architectures will be studied with several modern techniques, like NMR, MS, SEM, TEM, crystallography, etc.***Step 4) Analysis of the results will either lead to useful supramolecules (that can be published and/or find applications) or necessitate a fine tuning, in which case the process will be restarted (step 1) with accumulated knowledge.

该项目的目标是通过预测的自组装获得几个具有受控形状、管状和球状的新有机团簇。我们瞄准的管状和球形簇通过弱相互作用结合在一起：氢键和范德华接触。****** 形成管的大多数亚基具有 C3、C1 和 S2 对称性，并且是由不寻常的氨基酸制成的环肽或顺式几何形状的聚酰胺。环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线或管。 *** 另一种具有圆盘形状的子单元可以形成石墨等薄片，也可以形成 T、O 或 I 对称的球，如巴克明斯特富勒烯，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，如生物运输、药物输送、传感、非线性光学、电导率、光子学、凝胶和其他新材料、催化……****** 该程序基于涉及以下所有步骤的迭代过程，最终得到完整的结构-性能关系图：***步骤 1）将仔细设计子单元并研究其自组装 分子建模。 ***步骤 2) 子单元的合成将在实验室中进行。***步骤 3) 将使用几种现代技术研究它们的自组装和超分子结构的特性，如 NMR、MS、SEM、TEM、晶体学等。***步骤 4) 对结果的分析将要么产生有用的超分子（可以发表和/或寻找应用），要么需要精细的研究 调整，在这种情况下，该过程将根据积累的知识重新启动（步骤 1）。