Self-assembled Peptide-pi-electron Supramolecular Polymers for Bioinspired Energy Harvesting, Transport and Management

Project Personnel

John Tovar

Principal Investigator

Johns Hopkins University

Email

Andrew Ferguson

University of Chicago

Email

Howard Katz

Johns Hopkins University

Email

Funding Divisions

Division of Materials Research (DMR), Division of Chemistry (CHE), Office of Multidisciplinary Activities (OMA)

Nature exquisitely controls the arrangement of key pigments during photosynthesis to harness solar energy. Exerting reliable control over engineered molecular materials in the crucial 10-100 nanometer regime, thousands of times smaller than a millimeter, remains a challenge. This project develops functional molecular superstructures via molecular synthesis, biologically inspired self-assembly, electronic measurements, molecular simulation, and data-driven molecular discovery and engineering. The PIs guide the next generation of materials and data scientists of diverse socio-economic background while promoting tight integration and mutually reinforcing feedback between computation and experiment towards the discovery and development of multi-molecule assemblies with tailored structure and function.

Publications

Patchy Particle Model of the Hierarchical Self-Assembly of p-Conjugated Optoelectronic Peptides
R. A. Mansbach and A. L. Ferguson
10/1/2018
Photon Management in Supramolecular Peptide Nanomaterials
J. D. Tovar
12/1/2017
Solid-state Electrical Applications of Protein and Peptide based Nanomaterials
S. S. Panda, H. E. Katz, and J. D. Tovar
4/1/2018
Controlling Supramolecular Chirality in Peptide-pi-Peptide Networks by Variation of the Alkyl Spacer Length
S. S. Panda, K. Shmilovich, A. L. Ferguson, and J. D. Tovar
9/1/2019
Unusually Conductive Organic-Inorganic Hybrid Nanostructures Derived from Bio-Inspired Mineralization of Peptide/Pi-Electron Assemblies
T. Lee, S. S. Panda, J. D. Tovar, and H. E. Katz
1/1/2020
Machine Learning and Molecular Design of Self-assembling p-conjugated Oligopeptides
B. A. Thurston and A. L. Ferguson
5/1/2018
Evidence for Prenucleated Fibrilogenesis of Acid-Mediated Self-Assembling Oligopeptides via Molecular Simulation and Fluorescence Correlation Spectroscopy
L. R. Valyerde, B. A. Thurston, A. L. Ferguson, and W. L. Wilson
5/1/2018
Effect of Core Oligomer Length on the Phase Behavior and Assembly of p-Conjugated Peptides
E. R. Jira, K. Shmilovich, T. S. Kale, A. Ferguson, J. D. Tovar, and C. M. Schroeder
4/1/2020
Carboxylic Acid-Functionalized Conjugated Polymer Promoting Diminished Electronic Drift and Amplified Proton Sensitivity of Remote Gates Compared to Nonpolar Surfaces in Aqueous Media
H. J. Jang, J. Wagner, Y. J. Song, T. Lee, and H. E. Katz
6/1/2020
Discovery of Self-Assembling pi-Conjugated Peptides by Active Learning-Directed Coarse-Grained Molecular Simulation
K. Shmilovich, R. A. Mansbach, H. Sidky, O. E. Dunne, S. S. Panda, J. D. Tovar, and A. L. Ferguson
3/1/2020
Computational Discovery of High Charge Mobility Self-assembling p-conjugated Peptides
K. Shmilovich, Y. F. Yao, J. D. Tovar, H. E. Katz, A. Schleife, and A. L. Ferguson
2/1/2022
Aqueous Self-Assembly of Peptide–Diketopyrrolopyrrole Conjugates with Variation of N-Alkyl Side Chain and π-Core Lengths
S. S. Panda and J. D. Tovar
6/1/2021
Hybrid Computational–experimental Data-driven Design of Self-assembling π-conjugated Peptides
K. Shmilovich, S. S. Panda, A. Stouffer, J. D. Tovar, and A. L. Ferguson
6/1/2022
Torsional Impacts on Quaterthiophene Segments Confined within Peptidic Nanostructures
T. S. Kale, H. A. M. Ardona, A. Ertel, and J. D. Tovar
1/1/2019
Computationally Guided Tuning of Peptide-Conjugated Perylene Diimide Self-Assembly
S. S. Panda, K. Shmilovich, N. S. M. Herringer, N. Marin, A. L. Ferguson, and J. D. Tovar
7/1/2021
A Tale of Three Hydrophobicities: Impact of Constitutional Isomerism on Nanostructure Evolution and Electronic Communication in p-Conjugated Peptides
J. P. Dibble, C. Troyano-Valls, and J. D. Tovar
8/1/2020
Computationally Guided Tuning of Amino Acid Configuration Influences the Chiroptical Properties of Supramolecular Peptide-p-Peptide Nanostructures
S. S. Panda, K. Shmilovich, A. L. Ferguson, and J. D. Tovar
6/1/2020
Evolution of p-Peptide Self-Assembly: From Understanding to Prediction and Control
A. L. Ferguson and J. D. Tovar
12/1/2022

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Research Highlights

Self-assembled Peptide-p-electron Supramolular Polymers:Student Training and Dissemination
J. Tovar, H. Katz (Johns Hopkins U.) A. Ferguson (U. Chicago)
Self-assembled Peptide-p-electron Supramolular Polymers:Workforce Training, Outreach, and Data Sharing
J. Tovar, H. Katz (Johns Hopkins U.) A. Ferguson (U. Chicago)
Self-assembled Peptide-p-electron Supramolecular Polymers for Bioinspired Energy Harvesting, Transport, and Management
J. Tovar (Johns Hopkins U.)A. Ferguson (U. Chicago)
Self-assembled Peptide-p-electron Supramolular Polymers:FAIR Data and Student Training
J. Tovar, H. Katz (Johns Hopkins U.)A. Ferguson (U. Chicago)
Self-assembled Peptide-p-electron Supramolular Polymers:Code Sharing and Undergraduate Research
J. Tovar, H. Katz (Johns Hopkins U.) A. Ferguson (U. Chicago)
Conductive Organic-inorganic Nanostructures
J. Tovar and H. Katz (Johns Hopkins U.)
Self-assembled Peptide-p-electron Supramolecular Polymers
A. Ferguson
Machine Learning-enabled Computational Discovery of Self-assembling Biocompatible Nanoaggregates
J. Tovar (Johns Hopkins U.) A. Ferguson (U. Chicago)
Controlling Supramolecular Chirality in Peptide-p-peptide Networks
J. Tovar (Johns Hopkins U.) A. Ferguson (U. Chicago)
Self-assembled Peptide-p-electron Supramolecular Polymers for Bioinspired Energy Harvesting, Transport and Management
J. Tovar, H. Katz (Johns Hopkins U.)A. Ferguson (U. Chicago)
Self-assembled peptide-pi-electron supramolecular polymers for bioinspired energy harvesting, transport and management
Andrew Ferguson

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