Research Initiation Awards: Configurational Transport Processes in Reactions with Enzymes Bound to Fabricated Tailored Supports

本项目的目标是通过理论、数值和实验技术，研究与可溶性和固定化酶的特定部位反应的构型运输过程。具体目标是：(1)加深对受限过渡期的理解，大分子底物在微孔中的旋转扩散和构象扩散；(2)发展一种预测理论，描述这些构型运输方式和酶反应基础的特定部位结合步骤之间的相互作用；(3)为了工作，详细的扩散-反应理论演变成了一种全面的计算机辅助方法根据结构和物理化学载体性质优化转化率；(4)通过对大底物结合和其他有实际意义的现象的详细研究，帮助固定化酶的工业应用的发展；(5)制备具有定制微结构的多孔载体并对其进行实验测试。这项工作将为分析特定部位的扩散-反应过程提供一个实验支持的基本输运框架。它的实用价值来自于它对掩盖本征动力学的鲜为人知的孔隙尺度现象的量化，为此，更好的理解将促进商业和生物医学过程的发展。

The objective of this project is to investigate the configurational transport processes that underline site- specific reaction with soluble and immobilized enzymes, via theoretical, numerical and experimental techniques. The specific goals are: (1) to further the understanding of confined transitional, rotational and conformational diffusion of macromolecular substrates in fine pores; (2) to develop a predictive theory describing the interplay between these configurational modes of transport and site-specific binding steps fundamental to enzymatic reactions; (3) to work the detailed diffusion-reactions theory evolved into a comprehensive computer-aided methodology for optimization of conversion rates with respect to structural and physicochemical support properties; (4) to aid the development of industrial applications of immobilized enzymes via detailed study of large- substrates binding and other phenomena of practical relevance; and (5) to fabricate porous carriers with tailored microstructures and test them experimentally. This work will furnish an experimentally-supported fundamental transport framework for analyzing site-specific diffusion- reaction processes. Its practical value derives from its quantification of poorly understood pore-scale phenomena that mask intrinsic kinetics, for which improved understanding will empower commercial and biomedical process development.