Bringing Nanospace to Life by Adapting Pore Environments to Chemical Complexity

Introduction

The conformational flexibility and biological function of proteins is dictated by the positioning of a few amino acids into specific arrangements linked by peptide bonds. We intend to implement this same principle of sequencing, essential to biology, to synthetic porous materials by encoding pore environments with atomic precision to control structural response and function.

Challenges

The road to this vision remains blocked by the lack of methodologies and understanding which is required to untap the value of pore chemistry in controlling the conformational response of frameworks and encapsulated guests.

Project Structure

LIVINGPORE is structured around the complementary concepts of transformable and transformative porosity. These concepts share the use of amino acid side chain chemistry and peptide bond rotations for selecting the conformational response and function of:

1. Flexible frameworks (oligopeptide linkers)
2. Flexible guests (small enzymes)

This will be achieved by using programmed pore settings and mutants.

Development Approach

We will develop both concepts in parallel by implementing a central high-throughput workflow that integrates computational and experimental routines for rational design and accelerated discovery. These synergic, multidisciplinary tools will be used to:

i) Guide chemical synthesis
ii) Evaluate structural response
iii) Rationalize function

All of these are required for going beyond what can be currently achieved with conventional methods.

Objectives

The central objective of this materials chemistry project is to lay definitive understanding on how reticular frameworks can be used to respond to (transformable) or select (transformative) specific molecular recognition patterns for cooperative selection in a crystalline solid.

Long-term Vision

The long-term vision is a shift in the present perception of Metal-Organic Frameworks into unique porous materials capable of structural/functional responses closer to biological systems. This shift will enable distinctive applications currently unthinkable of, initially demonstrated in separation and biocatalysis.