Diverging conformations guide dipeptide self-assembly into crystals or hydrogels

M. Monti; E. Scarel; A. Hassanali; M. Stener; S. Marchesan

doi:10.1039/D3CC02682E

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Diverging conformations guide dipeptide self-assembly into crystals or hydrogels†

M. Monti,

^a E. Scarel,

^a A. Hassanali,^b M. Stener

*^a and S. Marchesan

*^a

Author affiliations

* Corresponding authors

^a Chem. Pharm. Sc. Dept., University of Trieste, Via L. Giorgieri 1, Trieste 34127, Italy
E-mail: stener@units.it, smarchesan@units.it

^b The Abdus Salam International Centre for Theoretical Physics, Strada Costiera 11, Trieste 34151, Italy

Abstract

The prediction of dipeptide assembly into crystals or gels is challenging. This work reveals the diverging conformational landscape that guides self-organization towards different outcomes. In silico and experimental data enabled deciphering of the electronic circular dichroism (ECD) spectra of self-assembling dipeptides to reveal folded or extended conformers as key players.

This article is part of the themed collection: ChemComm 60th Anniversary Board Member Collection

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Article information

DOI: https://doi.org/10.1039/D3CC02682E
Article type: Communication
Submitted: 09 6 2023
Accepted: 14 8 2023
First published: 15 8 2023

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Chem. Commun., 2023,59, 10948-10951

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Diverging conformations guide dipeptide self-assembly into crystals or hydrogels

M. Monti, E. Scarel, A. Hassanali, M. Stener and S. Marchesan, Chem. Commun., 2023, 59, 10948 DOI: 10.1039/D3CC02682E

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Diverging conformations guide dipeptide self-assembly into crystals or hydrogels†

Abstract

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Diverging conformations guide dipeptide self-assembly into crystals or hydrogels

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