X-ray and neutron scattering of water

K Amann-Winkel, MC Bellissent-Funel, LE Bove… - Chemical …, 2016 - ACS Publications
This review article focuses on the most recent advances in X-ray and neutron scattering
studies of water structure, from ambient temperature to the deeply supercooled and …

The solvent side of proteinaceous membrane-less organelles in light of aqueous two-phase systems

BY Zaslavsky, LA Ferreira, AL Darling… - International journal of …, 2018 - Elsevier
Water represents a common denominator for liquid-liquid phase transitions leading to the
formation of the polymer-based aqueous two-phase systems (ATPSs) and a set of the …

Unravelling the contribution of local structures to the anomalies of water: The synergistic action of several factors

F Martelli - The Journal of chemical physics, 2019 - pubs.aip.org
We investigate the microscopic origin of water's anomalies by inspecting the hydrogen bond
network (HBN) and the spatial organization of low-density-liquid (LDL) like and high-density …

Low-and high-density forms of liquid water revealed by a new medium-range order descriptor

C Faccio, M Benzi, L Zanetti-Polzi, I Daidone - Journal of Molecular Liquids, 2022 - Elsevier
We present in this paper a computational approach based on molecular dynamics
simulations and graph theory to characterize the structure of liquid water considering not …

Water structure and solvation of osmolytes at high hydrostatic pressure: pure water and TMAO solutions at 10 kbar versus 1 bar

S Imoto, H Forbert, D Marx - Physical Chemistry Chemical Physics, 2015 - pubs.rsc.org
Trimethylamine N-oxide (TMAO) is a protecting osmolyte that stabilizes proteins against both
temperature and pressure denaturation. Yet, even the solvation of TMAO itself is not well …

Multiresolution continuous wavelet transform for studying coupled solute–solvent vibrations via ab initio molecular dynamics

G Donati, A Petrone, N Rega - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
Vibrational analysis in solution and the theoretical determination of infrared and Raman
spectra are of key importance in many fields of chemical interest. Vibrational band dynamics …

A Not Obvious Correlation Between the Structure of Green Fluorescent Protein Chromophore Pocket and Hydrogen Bond Dynamics: A Choreography From ab initio …

F Coppola, F Perrella, A Petrone, G Donati… - Frontiers in Molecular …, 2020 - frontiersin.org
The Green Fluorescent Protein (GFP) is a widely studied chemical system both for its large
amount of applications and the complexity of the excited state proton transfer responsible of …

Free electron to electride transition in dense liquid potassium

H Zong, VN Robinson, A Hermann, L Zhao… - Nature Physics, 2021 - nature.com
At high pressures, simple metals such as potassium have a rich phase diagram including an
insulating electride phase in which electrons have a localized, anionic character …

[HTML][HTML] Probing the network topology in network-forming materials: The case of water

M Formanek, F Martelli - AIP Advances, 2020 - pubs.aip.org
Rings statistic has been widely used to investigate the network topology in numerically
simulated network-forming materials in order to rationalize their physical and mechanical …

A statistical mechanical model of supercooled water based on minimal clusters of correlated molecules

I Daidone, R Foffi, A Amadei… - The Journal of Chemical …, 2023 - pubs.aip.org
In this paper, we apply a theoretical model for fluid state thermodynamics to investigate
simulated water in supercooled conditions. This model, which we recently proposed and …