Solvation Environments in Porous Ionic Liquids Determine Selectivity in CO2 Conversion to Cyclic Carbonates

Autor: Ryan Clark, Jocasta Ávila, Margarida Costa Gomes, Agilio A. H. Padua

Publikováno v: The Journal of Physical Chemistry B. 127:3266-3277

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4d0ed15b284ca3bcf89e74c75487b800
https://doi.org/10.1021/acs.jpcb.2c08788

Voltage‐gating of aquaporins, a putative conserved safety mechanism during ionic stresses

Autor: Jean-Stéphane Venisse, Robin Mom, Beatriz Muries, Philippe Label, Agilio A. H. Padua, Daniel Auguin, Julien Robert-Paganin, Stéphane Réty, Pierrick Benoit

Publikováno v: FEBS Letters
FEBS Letters, Wiley, 2021, 595 (1), pp.41-57. ⟨10.1002/1873-3468.13944⟩
FEBS Letters, Wiley, 2020, ⟨10.1002/1873-3468.13944⟩
FEBS Letters, 2021, 595 (1), pp.41-57. ⟨10.1002/1873-3468.13944⟩

International audience; Aquaporins are transmembrane water channels found in almost every living organism. Numerous studies have brought a good understanding of both water transport through their pores and the regulations taking place at the molecula

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c9866f2516c8c466fcfd27ce90927458
https://doi.org/10.1002/1873-3468.13944

Abstract No. 592 How far we’ve come: comparison of fluoroscopy dose indices from the DIR-Fluoro pilot to the RAD-IR study

Autor: A. Jones, K. Wunderle, T. Fruscello, B. Cline, S. Dharmadhikari, X. Duan, J. Durack, D. Hirschl, C. Ingraham, D. Kim, U. Mahmood, S. Mann, C. Martin, Z. Metwalli, J. Moirano, R. Neill, J. Newsome, H. Padua, A. Schoenfeld, M. Simanowith, D. Miller

Publikováno v: Journal of Vascular and Interventional Radiology. 33:S222-S223

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2a39461bace6f0c608956a8a710f6f2a
https://doi.org/10.1016/j.jvir.2022.03.574

Systematic Comparison of the Structural and Dynamic Properties of Commonly Used Water Models for Molecular Dynamics Simulations

Autor: Sachini P. Kadaoluwa Pathirannahalage, Tu C. Le, Margarida F. Costa Gomes, Aaron Elbourne, David A. Winkler, Christopher F McConville, Tamar L. Greaves, Nastaran Meftahi, Quinn A. Besford, Agilio A. H. Padua, Andrew J. Christofferson, Alessia C G Weiss

Publikováno v: Journal of Chemical Information and Modeling
Journal of Chemical Information and Modeling, American Chemical Society, 2021, 61 (9), pp.4521-4536. ⟨10.1021/acs.jcim.1c00794⟩
Journal of Chemical Information and Modeling, 2021, 61 (9), pp.4521-4536. ⟨10.1021/acs.jcim.1c00794⟩

Water is a unique solvent that is ubiquitous in biology and present in a variety of solutions, mixtures, and materials settings. It therefore forms the basis for all molecular dynamics simulations of biological phenomena, as well as for many chemical

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4dcb78f7175a2e72a5dfdf229ada03b0
https://hal.archives-ouvertes.fr/hal-03365766

A systematic comparison of the structural and dynamic properties of commonly used water models for molecular dynamics simulations

Autor: Quinn A. Besford, Tamar L. Greaves, Aaron Elbourne, Alessia C G Weiss, Nastaran Meftahi, Margarida F. Costa Gomes, Christopher F McConville, Agilio A. H. Padua, Tu C. Le, Sachini P. Kadaoluwa Pathirannahalage, Andrew J. Christofferson, David A. Winkler

Water is a unique solvent that is ubiquitous in biology and present in a variety of solutions, mixtures, and materials settings. It therefore forms the basis for all molecular dynamics simulations of biological phenomena, as well as for many chemical

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2089294ffba57852cd75cf79bb9ec353
https://doi.org/10.33774/chemrxiv-2021-0dt3n