Molecular interactions driving the layer-by-layer assembly of multilayers

J Borges, JF Mano - Chemical reviews, 2014‏ - ACS Publications
Over the last few decades there has been a huge interest in nanostructured functional
materials and assembly techniques for preparing functional molecular assemblies with …

Interactions between metal oxides and biomolecules: from fundamental understanding to applications

MJ Limo, A Sola-Rabada, E Boix, V Thota… - Chemical …, 2018‏ - ACS Publications
Metallo-oxide (MO)-based bioinorganic nanocomposites promise unique structures,
physicochemical properties, and novel biochemical functionalities, and within the past …

Water slippage versus contact angle: a quasiuniversal relationship

DM Huang, C Sendner, D Horinek, RR Netz… - Physical review letters, 2008‏ - APS
Using molecular dynamics simulations of an atomistic water model, we study the interfacial
hydrodynamic slippage of water at various hydrophobic surfaces, both organic (silane …

Understanding the interaction of polyelectrolyte architectures with proteins and biosystems

K Achazi, R Haag, M Ballauff… - Angewandte Chemie …, 2021‏ - Wiley Online Library
The counterions neutralizing the charges on polyelectrolytes such as DNA or heparin may
dissociate in water and greatly influence the interaction of such polyelectrolytes with …

GolP: An atomistic force‐field to describe the interaction of proteins with Au (111) surfaces in water

F Iori, R Di Felice, E Molinari… - Journal of computational …, 2009‏ - Wiley Online Library
A classical atomistic force field to describe the interaction of proteins with gold (111)
surfaces in explicit water has been devised. The force field is specifically designed to be …

Understanding the “Berg limit”: the 65° contact angle as the universal adhesion threshold of biomatter

M Kanduč, E Schneck, RR Netz - Physical Chemistry Chemical Physics, 2024‏ - pubs.rsc.org
Surface phenomena in aqueous environments such as long-range hydrophobic attraction,
macromolecular adhesion, and even biofouling are predominantly influenced by a …

How osmolytes influence hydrophobic polymer conformations: A unified view from experiment and theory

J Mondal, D Halverson, ITS Li, G Stirnemann… - Proceedings of the …, 2015‏ - pnas.org
It is currently the consensus belief that protective osmolytes such as trimethylamine N-oxide
(TMAO) favor protein folding by being excluded from the vicinity of a protein, whereas …

Simultaneous deposition of tannic acid and poly (ethylene glycol) to construct the antifouling polymeric coating on Titanium surface

LL Guo, YF Cheng, X Ren, K Gopinath, ZS Lu… - Colloids and Surfaces B …, 2021‏ - Elsevier
Titanium (Ti) and its alloys are primarily explored to produce biomedical implants owing to
their improved mechanical stability, corrosion resistance, low density, and good …

Atomistic simulation and measurement of pH dependent cancer therapeutic interactions with nanodiamond carrier

A Adnan, R Lam, H Chen, J Lee… - Molecular …, 2011‏ - ACS Publications
In this work, we have combined constant-pH molecular dynamics simulations and
experiments to provide a quantitative analysis of pH dependent interactions between …

Atomic-scale sliding friction on graphene in water

JG Vilhena, C Pimentel, P Pedraz, F Luo, PA Serena… - Acs Nano, 2016‏ - ACS Publications
The sliding of a sharp nanotip on graphene completely immersed in water is investigated by
molecular dynamics (MD) and atomic force microscopy. MD simulations predict that the …