CAREER: Programming Molecules for Helix Formation and Self-Assembly into Helical Bundles

University Of Massachusetts Amherst, Amherst MA

Investigators

Abstract

With the support of the Organic Dynamics Program in the Chemistry Division, Professor Gregory N. Tew of the University of Massachusetts- Amherst, whose previous work demonstrated the ability to design amphiphilic sheet-like structures from meta PEs that self-assembled with bilayer order, will now extend these designs to helical structures and their self-assembly into helical bundles. Specifically, he will design, synthesize, and characterize new ortho phenylene ethynylene (PE) oligomers with patterned amphiphilic helical structures programmed for self-directed self-assembly into higher order helical bundles. Proteins use a collection of weak non-covalent forces to build strong and complex structures. These forces include hydrophobic-hydrophilic patterning, hydrogen bonding, pi-pi stacking, electrostatics, and dipole-dipole interactions to name a few. The specific and precise placement of these forces marks one of the biggest differences between native biopolymers and synthetic macromolecules. The self-assembly of these amphiphilic hetero-sequences into helical bundles by burying the hydrophobic domains away from polar environments will be studied. This approach to programming molecules for directed self-assembly beyond secondary structural elements into helical bundles would establish the rules for this assembly leading to novel structures and properties. For example, abiotic, de novo designed, artificial metallo-enzyme-like catalysts are envisaged, and, at the helix, or secondary structure level, the contribution of dipole-dipole interactions toward folding stability will be determined. The Organic and Macromolecular Chemistry Program supports Professor Gregory N. Tew of the University of Massachusetts- Amherst whose research will synergistically combine computational and experimental methods to provide unique insight on the use of computation in abiotic structural design. The educational program will develop a multi-tiered infrastructure to formalize mentoring relationships for underrepresented minority and socio-economically disadvantaged students. Leadership and scientific management programs targeting underrepresented minority as well as socio-economically disadvantaged undergraduate and graduate students will be developed through a strong mentoring program, class lectures, and interactive workshops. Such activities will enable greater participation and strengthen leadership roles. The interdisciplinary nature of the work will train students in important scientific areas including organic and macromolecular synthesis, supramolecular organic chemistry, and biophysics.