Control over Conformational Landscapes of Polypeptoids by Monomer Sequence Patterning

DeStefano, Audra J.; Mengel, Shawn D.; Bates, Morgan W.; Jiao, Sally; Shell, M. Scott; Han, Songi; Segalman, Rachel A.

doi:10.1021/acs.macromol.3c02338

Title: Control over Conformational Landscapes of Polypeptoids by Monomer Sequence Patterning

Journal Article · 17 February 2024 · Macromolecules

DOI: https://doi.org/10.1021/acs.macromol.3c02338 · OSTI ID:2406052

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University of California, Santa Barbara, CA (United States); University of Texas at Austin
University of California, Santa Barbara, CA (United States)
Northwestern University, Evanston, IL (United States)

The ability to program chain conformation and structure through control over the monomer sequence of synthetic polymers has broad implications for next-generation material design. While related problems of protein-folding and de novo design have generated accurate predictions of 3D folded chain structures, generalization to synthetic polymers remains intractable due to the requirement of large structural databases and the intrinsically disordered nature of polymer building blocks. In this work, polypeptoids, a class of peptidomimetic synthetic polymers, are utilized to build a general workflow for the study of relationships between monomer sequence and dynamic 3D chain structure in solution. Furthermore, this work demonstrates how control over the monomer sequence can alter the conformational landscape of synthetic polymers to deviate dramatically from classical chain statistics. Specifically, the distribution of end-to-end distances, as measured by double electron-electron resonance spectroscopy in dilute solvent, is systematically skewed towards shorter distances with an increasing number of hydrophobes and further refined by hydrophobe arrangement in amphiphilic polypeptoid chains.

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Research Organization:: University of California, Santa Barbara, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF); National Institute of General Medicine

Grant/Contract Number:: SC0019272

OSTI ID:: 2406052

Journal Information:: Macromolecules, Journal Name: Macromolecules Journal Issue: 4 Vol. 57; ISSN 0024-9297

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Title: Control over Conformational Landscapes of Polypeptoids by Monomer Sequence Patterning

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