Molecular reactions at aqueous interfaces

MF Ruiz-Lopez, JS Francisco… - Nature Reviews …, 2020 - nature.com
This Review aims to critically analyse the emerging field of chemical reactivity at aqueous
interfaces. The subject has evolved rapidly since the discovery of the so-called 'on-water …

Water at interfaces

O Björneholm, MH Hansen, A Hodgson… - Chemical …, 2016 - ACS Publications
The interfaces of neat water and aqueous solutions play a prominent role in many
technological processes and in the environment. Examples of aqueous interfaces are …

Anomalously low dielectric constant of confined water

L Fumagalli, A Esfandiar, R Fabregas, S Hu, P Ares… - Science, 2018 - science.org
The dielectric constant ε of interfacial water has been predicted to be smaller than that of
bulk water (ε≈ 80) because the rotational freedom of water dipoles is expected to decrease …

Wettability effect on nanoconfined water flow

K Wu, Z Chen, J Li, X Li, J Xu, X Dong - Proceedings of the National …, 2017 - pnas.org
Understanding and controlling the flow of water confined in nanopores has tremendous
implications in theoretical studies and industrial applications. Here, we propose a simple …

Weakly hydrated anions bind to polymers but not monomers in aqueous solutions

BA Rogers, HI Okur, C Yan, T Yang, J Heyda… - Nature Chemistry, 2022 - nature.com
Weakly hydrated anions help to solubilize hydrophobic macromolecules in aqueous
solutions, but small molecules comprising the same chemical constituents precipitate out …

Benign by design: catalyst-free in-water, on-water green chemical methodologies in organic synthesis

MB Gawande, VDB Bonifácio, R Luque… - Chemical Society …, 2013 - pubs.rsc.org
Catalyst-free reactions developed during the last decade and the latest developments in this
emerging field are summarized with a focus on catalyst-free reactions in-water and on-water …

Silica surface features and their role in the adsorption of biomolecules: computational modeling and experiments

A Rimola, D Costa, M Sodupe, JF Lambert… - Chemical …, 2013 - ACS Publications
There are many reasons to report on silica interacting with biomolecules. The most obvious
one is that on the Earth's crust, oxygen and silicon are the most abundant atomic species …

Friction of Water on Graphene and Hexagonal Boron Nitride from Ab Initio Methods: Very Different Slippage Despite Very Similar Interface Structures

G Tocci, L Joly, A Michaelides - Nano letters, 2014 - ACS Publications
Friction is one of the main sources of dissipation at liquid water/solid interfaces. Despite
recent progress, a detailed understanding of water/solid friction in connection with the …

Extra precision glide: Docking and scoring incorporating a model of hydrophobic enclosure for protein− ligand complexes

RA Friesner, RB Murphy, MP Repasky… - Journal of medicinal …, 2006 - ACS Publications
A novel scoring function to estimate protein− ligand binding affinities has been developed
and implemented as the Glide 4.0 XP scoring function and docking protocol. In addition to …

Water: Nature's Reaction Enforcer Comparative Effects for Organic Synthesis “In-Water” and “On-Water”

RN Butler, AG Coyne - Chemical reviews, 2010 - ACS Publications
Water is the solvent used by nature for biological chemistry. Considering the enormous
variety of biological organic synthetic pathways and the complicated molecular structures …