Sequence and structural effects on molecular conductance of bioinspired peptoid oligomers
type: CreativeWork
description: The sequence-structure-function paradigm demonstrates that polymer sequence directly impacts the three-dimensional structure, which in turn dictates biological function—principles we can apply to synthetic polymer design. One class of sequence-defined polymer that has made great progress in attaining biology-like control over sequence and structure are peptoids or N-substituted polyglycines. The sequence-defined modularity of peptoids enables precise control over their structure–function relationships, enabling potential materials applications in energy storage, energy conversion, and biomedical technologies. In Chapter 1, I lay the foundations of the motivations behind studying how helical secondary structure affects molecular charge transport in peptoid oligomers. In Chapter 2, characterizations of electron charge transport in peptoid oligomers uses the scanning tunneling microscopy break-junction (STM-BJ) method build upon previous studies on the effect of sequence and molecular conformation and secondary structure in synthetic organic molecules and peptides on molecular charge transport. Despite recent progress, understanding the role of peptoid sequence and conformation in electron transport has been challenging to study. Here, I synthesize a library of peptoid oligomers and characterize their molecular electronic properties using the scanning tunneling microscope-break junction (STM-BJ) technique. The work in this chapter reveals well-defined electron transport pathways for peptoids lacking secondary structure. In particular, peptoid sequences with aromatic side groups lacking hydrogen bonds and methyl substitutions at the N-Cα position led to well-defined conductance features. This behavior fundamentally differs from electron transport in peptides, where secondary structure derived from hydrogen bonds leads to an enhanced conductance feature compared to peptides with non-helical backbones. All-atom molecular dynamics (MD) simulations are used to understand th…
abstract: The sequence-structure-function paradigm demonstrates that polymer sequence directly impacts the three-dimensional structure, which in turn dictates biological function—principles we can apply to synthetic polymer design. One class of sequence-defined polymer that has made great progress in attaining biology-like control over sequence and structure are peptoids or N-substituted polyglycines. The sequence-defined modularity of peptoids enables precise control over their structure–function relationships, enabling potential materials applications in energy storage, energy conversion, and biomedical technologies. In Chapter 1, I lay the foundations of the motivations behind studying how helical secondary structure affects molecular charge transport in peptoid oligomers. In Chapter 2, characterizations of electron charge transport in peptoid oligomers uses the scanning tunneling microscopy break-junction (STM-BJ) method build upon previous studies on the effect of sequence and molecular conformation and secondary structure in synthetic organic molecules and peptides on molecular charge transport. Despite recent progress, understanding the role of peptoid sequence and conformation in electron transport has been challenging to study. Here, I synthesize a library of peptoid oligomers and characterize their molecular electronic properties using the scanning tunneling microscope-break junction (STM-BJ) technique. The work in this chapter reveals well-defined electron transport pathways for peptoids lacking secondary structure. In particular, peptoid sequences with aromatic side groups lacking hydrogen bonds and methyl substitutions at the N-Cα position led to well-defined conductance features. This behavior fundamentally differs from electron transport in peptides, where secondary structure derived from hydrogen bonds leads to an enhanced conductance feature compared to peptides with non-helical backbones. All-atom molecular dynamics (MD) simulations are used to understand th…
author: Prempin, Brittany
language: en
keywords: peptoid, singe-molecule charge transport
date published: 2025-12
date modified: 2026-07-22T22:25:07Z
provider: University of Illinois - Urbana-Champaign
publisher: Networked Digital Library of Theses and Dissertations
type: WebPage
source organization: University of Illinois Urbana-Champaign

PropertyValue
property ID: Handle
value: https://hdl.handle.net/2142/132657