CH--O Hydrogen-Bonds as Structural Elements for Synthesis and Catalysis

CH--O氢键作为合成和催化的结构元素

• 批准号: EP/I003398/1
• 负责人: Martin Smith
• 金额: $ 46.39万
• 依托单位: University of Oxford
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2011
• 资助国家: 英国
• 起止时间: 2011 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FI003398%2F1
• 关键词: CH; Hydrogen; Bonds; Structural; Elements

Nature has evolved large and complex molecules - proteins - which are comprised of simple building blocks that fold into specific three-dimensional shapes. These folded molecules are important for mediating many physiological chemical reactions. We are interested in examining the weak interactions that hold these molecules in their precise three-dimensional shape, and attempting to replicate them in simple synthetic systems. This involves the design and synthesis of molecules designed to fold into specific shapes, and simulation of their properties using high-level quantum calculation. The insight provided by these calculations will allow us to understand the forces that shape the properties of these small, designed molecules, and will also permit us to potentially emulate the exquisite specificity and reactivity exhibited by natural systems. We hope that this understanding will allow us to develop small, functional molecules that emulate some of the desirable properties of proteins.

自然界进化出了大而复杂的分子--蛋白质，这些分子由简单的积木组成，可以折叠成特定的三维形状。这些折叠的分子对于调节许多生理化学反应很重要。我们感兴趣的是研究保持这些分子精确三维形状的弱相互作用，并试图在简单的合成系统中复制它们。这包括设计和合成能够折叠成特定形状的分子，并使用高级量子计算来模拟它们的性质。这些计算提供的洞察力将使我们能够理解塑造这些设计的小分子的属性的力，也将使我们能够潜在地模仿自然系统所展示的精致的特异性和反应性。我们希望这种理解将使我们能够开发出模仿蛋白质某些理想特性的功能小分子。

项目成果

A cation-directed two-component cascade approach to enantioenriched pyrroloindolines.

一种阳离子导向的双组分级联方法，用于生成对映体富集的吡咯并吲哚啉。

• DOI: 10.1039/c4cc06683a
• 发表时间: 2014
• 期刊: Chemical communications (Cambridge, England)
• 作者: Wolstenhulme JR

Enantioselective Synthesis of 4- and 6-Azaindolines by a Cation-Directed Cyclization.

• DOI: 10.1021/acs.orglett.6b02744
• 发表时间: 2016-10-21
• 期刊: ORGANIC LETTERS
• 影响因子: 5.2
• 作者: Lamb, Alan D.;Davey, Peter D.;Driver, Russell W.;Thompson, Amber L.;Smith, Martin D.
• 通讯作者: Smith, Martin D.

A Counterion-Directed Approach to the Diels-Alder Paradigm: Cascade Synthesis of Tricyclic Fused Cyclopropanes.

• DOI: 10.1002/anie.201608534
• 发表时间: 2016-10-24
• 期刊: ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
• 影响因子: 16.6
• 作者: Kiss, Emily;Campbell, Craig D.;Driver, Russell W.;Jolliffe, John D.;Lang, Rosemary;Sergeieva, Tetiana;Okovytyy, Sergiy;Paton, Robert S.;Smith, Martin D.
• 通讯作者: Smith, Martin D.