Structure, Properties, and Applications of Silica Nanoparticles: Recent Theoretical Modeling Advances, Challenges, and Future Directions
Silica nanoparticles (SNPs), one of the most widely researched materials in modern science,
are now commonly exploited in surface coatings, biomedicine, catalysis, and engineering of …
are now commonly exploited in surface coatings, biomedicine, catalysis, and engineering of …
Nanomaterials in biological environment: a review of computer modelling studies
Nanotechnology is set to impact a vast range of fields, including computer science, materials
technology, engineering/manufacturing and medicine. As nanotechnology grows so does …
technology, engineering/manufacturing and medicine. As nanotechnology grows so does …
Competitive adsorption of asphaltene and n-heptane on quartz surfaces and its effect on crude oil transport through nanopores
Asphaltene deposition is a ubiquitous problem in crude oil exploitation, which can cause the
blockage of pore throat, leading to a significant reduction of oil recovery. Understanding the …
blockage of pore throat, leading to a significant reduction of oil recovery. Understanding the …
Hydration layer structure of biofouling-resistant nanoparticles
Hydrophilic surface chemistries can strongly bind water to produce surfaces that are highly
resistant to protein adsorption and fouling. The interfacial bound water and its distinct …
resistant to protein adsorption and fouling. The interfacial bound water and its distinct …
Surface-water interface induces conformational changes critical for protein adsorption: implications for monolayer formation of EAS hydrophobin
The class I hydrophobin EAS is part of a family of small, amphiphilic fungal proteins best
known for their ability to self-assemble into stable monolayers that modify the hydrophobicity …
known for their ability to self-assemble into stable monolayers that modify the hydrophobicity …
Hydration and dynamics of ligands determine the antifouling capacity of functionalized surfaces
M Penna, KJ Ley, A Belessiotis-Richards… - The Journal of …, 2019 - ACS Publications
Biofouling is a multibillion dollar problem in the modern world, stimulating a large research
effort in develo** antifouling surface coatings. Existing theories that attempt to explain …
effort in develo** antifouling surface coatings. Existing theories that attempt to explain …
Molecular dynamics simulations of the adhesion of a thin annealed film of oleic acid onto crystalline cellulose
Molecular dynamics simulations were used to characterize the wetting behavior of
crystalline cellulose planes in contact with a thin oily film of oleic acid. Cellulose crystal …
crystalline cellulose planes in contact with a thin oily film of oleic acid. Cellulose crystal …
Surface heterogeneity: a friend or foe of protein adsorption–insights from theoretical simulations
M Penna, K Ley, S Maclaughlin, I Yarovsky - Faraday discussions, 2016 - pubs.rsc.org
A lack in the detailed understanding of mechanisms through which proteins adsorb or are
repelled at various solid/liquid interfaces limits the capacity to rationally design and produce …
repelled at various solid/liquid interfaces limits the capacity to rationally design and produce …
Wrinkling behavior of graphene on substrates with different surface morphologies
D Ru, C Zhu, S Dong, J Zhao - Mechanics of Materials, 2019 - Elsevier
The wrinkling of graphene can strongly affect its stability and reliability in graphene-based
nanodevices. However, it is still a tremendous challenge to accurately predict the wrinkling …
nanodevices. However, it is still a tremendous challenge to accurately predict the wrinkling …
A molecular simulation study on the adhesion behavior of a functionalized polyethylene-functionalized graphene interface
Molecular dynamics simulations were applied to investigate interfacial adhesion between
functionalized polyethylene (fPE) and functionalized graphene (fG) surfaces. In order to …
functionalized polyethylene (fPE) and functionalized graphene (fG) surfaces. In order to …