Investigation of TiO₂ anatase (1 0 1), (1 0 0) and (1 1 0) facets as immobilizer for a potential anticancer RNA aptamer: a classical molecular dynamics simulation

Improved delivery and competitive adsorption of paclitaxel and mitomycin C anticancer drugs on boron nitride nanoparticles: a molecular dynamics insight

“…Besides, for the system containing PX and MMC on BNNSs, the CoM distances between 4 PX and the BNNS surface and 4 MMC and the BNNS surface during 100 ns simulation trajectories were calculated using eqn (1). 82 In this part, the vertical distances along the adsorption direction ( Z axis) were calculated. The center of mass normalized difference between PX and/or MMC with BNNS is defined as d / d 0 , where d 0 refers to the initial distance and d is the distance at the equilibrated state.…”

Improving surface characteristics and corrosion resistance of medical grade 316L by titanium powder mixed electro-discharge treatment

“…The tungsten electrode with the physical properties tabulated in table 2 was chosen as a tool material for the electro-discharge treatment of the substrate material. Due to its widely recognized anti-bacterial, anti-toxic, and corrosionresistant [40][41][42][43] properties, TiO 2 particulates were used for the surface treatment of 316L and mixed with the dielectric medium in a concentration of 15 grams per litre.…”

Surface Chemistry, Crystal Structure, Size and Topography Role in the Albumin Adsorption Process on TiO2 Anatase Crystallographic Faces and Its 3D-Nanocrystal: A Molecular Dynamics Study

“…In particular, the TiO 2 anatase hydroxylated (0 0 1) face, the (1 0 0), the (0 0 −1) and the (1 0 1) faces and an ideal TiO 2 anatase nanosized crystal formed also by three of these different faces; in this case the (0 0 1), the (1 0 0), and the (0 0 −1) facets were studied. In the literature, Mashatooki et al investigated the interaction between a potential anticancer RNA aptamer and TiO 2 anatase (1 0 1), (1 0 0) and (1 1 0) crystallographic faces, confirming how particular crystallographic faces can influence the adsorption process [70]. Interestingly, Yan et al investigated how concentration-dependent diffusion is central in the accurate regulation of a desirable ratio of TiO 2 mixed anatase facets when growth of an anatase crystal itself occurs, indicating that facet engineering highlights the fundamental understanding of kinetic growth of facets with capping agents [71].…”