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Molecular interactions driving the layer-by-layer assembly of multilayers
Over the last few decades there has been a huge interest in nanostructured functional
materials and assembly techniques for preparing functional molecular assemblies with …
materials and assembly techniques for preparing functional molecular assemblies with …
Interactions between metal oxides and biomolecules: from fundamental understanding to applications
Metallo-oxide (MO)-based bioinorganic nanocomposites promise unique structures,
physicochemical properties, and novel biochemical functionalities, and within the past …
physicochemical properties, and novel biochemical functionalities, and within the past …
Water slippage versus contact angle: a quasiuniversal relationship
Using molecular dynamics simulations of an atomistic water model, we study the interfacial
hydrodynamic slippage of water at various hydrophobic surfaces, both organic (silane …
hydrodynamic slippage of water at various hydrophobic surfaces, both organic (silane …
Understanding the interaction of polyelectrolyte architectures with proteins and biosystems
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 …
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
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 …
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
Surface phenomena in aqueous environments such as long-range hydrophobic attraction,
macromolecular adhesion, and even biofouling are predominantly influenced by a …
macromolecular adhesion, and even biofouling are predominantly influenced by a …
How osmolytes influence hydrophobic polymer conformations: A unified view from experiment and theory
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 …
(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 …
their improved mechanical stability, corrosion resistance, low density, and good …
Atomistic simulation and measurement of pH dependent cancer therapeutic interactions with nanodiamond carrier
In this work, we have combined constant-pH molecular dynamics simulations and
experiments to provide a quantitative analysis of pH dependent interactions between …
experiments to provide a quantitative analysis of pH dependent interactions between …
Atomic-scale sliding friction on graphene in water
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 …
molecular dynamics (MD) and atomic force microscopy. MD simulations predict that the …