Elucidating the Power of Scalpels of Catalysis: Computational and Theoretical Investigations on Biocatalytic Systems

阐明催化手术刀的威力：生物催化系统的计算和理论研究

• 批准号: 249955-2013
• 负责人: Gauld, James
• 金额: $ 2.48万
• 依托单位: University of Windsor
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2013
• 资助国家: 加拿大
• 起止时间: 2013-01-01 至 2014-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=524865
• 关键词: Elucidating; Power; Scalpels; Catalysis; Computational

Catalysts, molecules or materials that enhance the rates of reactions without themselves being consumed, are essential for life and our way of life. For example, glycosidic bonds are found throughout living matter (e.g., carbohydrates or DNA) and are remarkably resistant to being broken via reaction with water (known as hydrolytic cleavage). Indeed, it has been estimated that, under standard conditions, it would take approximately 5 million years for half of the glycosidic bonds in a strand of cellulose to undergo such hydrolytic cleavage. However, in cells, enzymes known as glycosidases are able to hydrolyse such bonds with 'life-sustainable' rate constants of up to 1000 s-1! In addition, it has been estimated that more than 90% of chemical manufacturing by the US chemical and pharmaceutical industry requires the use of catalysts in order to achieve economical production or to produce highly-specific chemical precursors as often required for therapeutic drug manufacturing.

能够提高反应速率而不消耗自身的催化剂、分子或材料对于生命和我们的生活方式至关重要。例如，糖苷键存在于整个生命物质（例如碳水化合物或 DNA）中，并且非常难以通过与水反应（称为水解裂解）而被破坏。事实上，据估计，在标准条件下，纤维素链中一半的糖苷键需要大约 500 万年才能经历这种水解裂解。然而，在细胞中，称为糖苷酶的酶能够以高达 1000 s-1 的“生命可持续”速率常数水解此类键！此外，据估计，美国化学和制药行业超过 90% 的化学品制造需要使用催化剂，以实现经济生产或生产治疗药物制造中经常需要的高度特异性的化学前体。