Investigations of water/oxide interfaces by molecular dynamics simulations
Water/oxide interfaces are ubiquitous on earth and show significant influence on many
chemical processes. For example, understanding water and solute adsorption as well as …
chemical processes. For example, understanding water and solute adsorption as well as …
Sodium halide adsorption and water structure at the α-alumina (0001)/water interface
Alumina is one of the most abundant minerals and has a wide range of industrial
applications, with catalysis as one of the most important. Of particular relevance for catalysis …
applications, with catalysis as one of the most important. Of particular relevance for catalysis …
Molecular-level understanding of the influence of ions and water on HMGB1 adsorption induced by surface hydroxylation of titanium implants
Due to its excellent chemical and mechanical properties, titanium has become the material
of choice for orthopedic and dental implants to promote rehabilitation via bone anchorage …
of choice for orthopedic and dental implants to promote rehabilitation via bone anchorage …
Mesoscopic Model for Reversible Adsorption Stage of Albumin and Fibrinogen on TiO2 Surface
X Wu, C Wang, P Hao, F He, Z Yao… - The Journal of …, 2024 - ACS Publications
The competitive behavior of proteins in the reversible adsorption stage plays a crucial role in
determining the composition of the protein layer and the subsequent biological responses to …
determining the composition of the protein layer and the subsequent biological responses to …
Self-Limiting Adsorption of WO3 Oligomers on Oxide Substrates in Solution
M Müllner, J Balajka, M Schmid… - The Journal of …, 2017 - ACS Publications
Electrochemical surface science of oxides is an emerging field with expected high impact in
developing, for instance, rationally designed catalysts. The aim in such catalysts is to …
developing, for instance, rationally designed catalysts. The aim in such catalysts is to …
Molecular dynamics simulations of BSA absorptions on pure and formate-contaminated rutile (1 1 0) surface
X Wu, P Hao, F He, Z Yao, X Zhang - Applied Surface Science, 2020 - Elsevier
Titanium dioxide is easily contaminated by carboxylic acid (mainly formate) in ambient
environments. Although numerous studies have proven that the removal of contamination …
environments. Although numerous studies have proven that the removal of contamination …
Icelike water molecules with single hydrogen bond donor on the surface of nano anatase and rutile particles by IR spectroscopy
T Khan, M Han, X Kong, D Qu, J Bai, Z Wang… - Chemical Physics …, 2024 - Elsevier
The hydration behavior of TiO 2 nanoparticles was studied by molecular dynamics
simulations and a novel IR ratio spectroscopy method. It was found that the hydration water …
simulations and a novel IR ratio spectroscopy method. It was found that the hydration water …
Molecular investigations of tripeptide adsorption onto TiO2 surfaces: Synergetic effects of surface nanostructure, hydroxylation and bioactive ions
T Zheng, Y Zhang, C Wu, L Zhou, PT Cummings - Applied Surface Science, 2020 - Elsevier
Micro-/nano-topographies on the surface of titanium-based biomaterials are critical features
responsible for protein adsorptions, and investigations into the underlying molecular …
responsible for protein adsorptions, and investigations into the underlying molecular …
Functionalized TiO2 Surfaces Facilitate Selective Receptor-Recognition and Modulate Biological Function of Bone Morphogenetic Protein-2
Titanium dioxide (TiO2) is a promising biomedical material because it can be modified with
various functional groups. However, the mechanism of the interaction between …
various functional groups. However, the mechanism of the interaction between …
Molecular Investigation of the Initial Nucleation of Calcium Phosphate on TiO2 Substrate: The Effects of Surface Nanotopographies
T Zheng, C Wu, Y Zhang, M Chen… - Crystal Growth & …, 2018 - ACS Publications
Nucleation and biomineralization of apatite on titanium-based material surfaces is crucial to
improve surface biocompatibility, osseointegration, and rapid bone ingrowth in biomedical …
improve surface biocompatibility, osseointegration, and rapid bone ingrowth in biomedical …