2023
DOI: 10.1039/d2cp04080h
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Revealing the biotoxicity of phosphorene oxide nanosheets based on the villin headpiece

Abstract: Phosphorene, a novel member of the two-dimensional nanomaterial family, has been demonstrated a great potential in biomedical applications, such as photothermal therapy, drug delivery and antibacterial. However, phosphorene is unstable...

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Cited by 2 publications
(2 citation statements)
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“…62 These parameters have been widely adopted in studies investigating the interactions between BP and various biomolecules. [63][64][65] The phosphorus atoms of BP were modelled as uncharged Lennard-Jones particles, characterized by a cross section value σ PP = 0.330 Å and a depth of potential wall ε PP = 0.400 kcal mol −1 . Oxygen atoms and phosphorus atoms connected to oxygen were represented as charged Lennard-Jones particles.…”
Section: Models and Simulation System Setupmentioning
confidence: 99%
“…62 These parameters have been widely adopted in studies investigating the interactions between BP and various biomolecules. [63][64][65] The phosphorus atoms of BP were modelled as uncharged Lennard-Jones particles, characterized by a cross section value σ PP = 0.330 Å and a depth of potential wall ε PP = 0.400 kcal mol −1 . Oxygen atoms and phosphorus atoms connected to oxygen were represented as charged Lennard-Jones particles.…”
Section: Models and Simulation System Setupmentioning
confidence: 99%
“…Since 2017, Janus TMD materials such as Mo(S, Se) 2 and W(S, Se) 2 monolayers have been synthesized, 24,25 noting that the Janus features provide a greater degree of freedom to modulate the magnetic state. 26 Inspired by theoretical study on Cr-based dichalcogenide halides and Ti-based magnetic materials, [27][28][29][30] it is possible to change the valence state of transition metal ions to induce magnetic order in nonmagnetic TMDs through haloid Janus substitution, a promising platform to design many more ferrovalley materials.…”
Section: Introductionmentioning
confidence: 99%