On the solvation of elastin-like polypeptides in aqueous mixtures
ORAL
Abstract
The collapsed or expanded state of a polymer is determined by the quality of the solvents: a polymer collapses in a poor solvent, whereas
in a good solvent it opens up. While this standard understanding is generally valid, there are examples when a polymer collapses even in a
mixture of two good solvents. This phenomenon, commonly known as co-non-solvency, is usually associated with smart polymers. Recent
experiments have shown that biopolymers, such as elastin-like polypeptides (ELP), show co-non-solvency in aqueous-ethanol mixtures. In
this work, we compare conformational behavior of ELPs in aqueous-ethanol and -urea mixtures using explicit solvent generic simulations. These results may pave ways for operational understanding and advanced functional designing of biocompatible materials.
[1] D. Mukherji, C. M. Marques, K. Kremer, Nat. Commun. 5, 4882 (2014).
[2] D. Mukherji, M. D. Watson, S. Morsbach, M. Schmutz, M. Wagner, C. M. Marques, K. Kremer, Macromolecules 52, 3471 (2019).
[3] C. Mills, E. Ding, B. Olsen, Biomacromolecules 20, 2167 (2019).
[4] Y. Zhao, M. K. Singh, K. Kremer, R. Cortes-Huerto, D. Mukherji submitted (2019).
in a good solvent it opens up. While this standard understanding is generally valid, there are examples when a polymer collapses even in a
mixture of two good solvents. This phenomenon, commonly known as co-non-solvency, is usually associated with smart polymers. Recent
experiments have shown that biopolymers, such as elastin-like polypeptides (ELP), show co-non-solvency in aqueous-ethanol mixtures. In
this work, we compare conformational behavior of ELPs in aqueous-ethanol and -urea mixtures using explicit solvent generic simulations. These results may pave ways for operational understanding and advanced functional designing of biocompatible materials.
[1] D. Mukherji, C. M. Marques, K. Kremer, Nat. Commun. 5, 4882 (2014).
[2] D. Mukherji, M. D. Watson, S. Morsbach, M. Schmutz, M. Wagner, C. M. Marques, K. Kremer, Macromolecules 52, 3471 (2019).
[3] C. Mills, E. Ding, B. Olsen, Biomacromolecules 20, 2167 (2019).
[4] Y. Zhao, M. K. Singh, K. Kremer, R. Cortes-Huerto, D. Mukherji submitted (2019).
–
Presenters
-
Yani Zhao
Max Planck Institute for Polymer Research
Authors
-
Yani Zhao
Max Planck Institute for Polymer Research
-
Manjesh Kumar Singh
Mechanical Engineering, Indian Institute of Technology Kanpur
-
Kurt Kremer
Max Planck Inst, Max Planck Institute for Polymer Research
-
Robinson Cortes Huerto
Max Planck Inst, Max Planck Institute for Polymer Research
-
Debashish Mukherji
Stewart Blusson Quantum Matter Institute, University of British Columbia, Vancouver Canada, Stewart Blusson Quantum Matter Institute, University of British Columbia