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Now showing items 31-38 of 38
Computational Insights on the Electrocatalytic Behavior of [Cp*Rh] Molecular Catalysts Immobilized on Graphene for Heterogeneous Hydrogen Evolution Reaction
(
Springer Nature
, 2020 , Article)
The heterogeneous metal-based molecular electrocatalyst can typically exhibit attractive features compared to its homogeneous analogue including recoverability and durability. As such, it is necessary to evaluate the ...
Investigation on the impact of solvent on the photochemical properties of the photoactive anticancer drug Vemurafenib: A computational study
(
Elsevier
, 2020 , Article)
Rationalizing the photochemical behavior of a photosensitive drug in terms of molecular properties is necessary toward understanding related potential phototoxicity. Here, we report on the effect of the molecular ...
The supramolecular host-guest complexation of Vemurafenib with β-cyclodextrin and cucurbit[7]uril as drug photoprotecting systems: A DFT/TD-DFT study
(
Elsevier
, 2020 , Article)
The supramolecular host-guest complexation of the first-line anticancer drug Vemurafenib (VFB) with β-cyclodextrin (β-CD) and cucurbit[7]uril (CB7) is computationally investigated employing the DFT/TD-DFT method in implicit ...
Eco-structured adsorptive removal of tigecycline from wastewater: Date pits’ biochar versus the magnetic biochar
(
Multidisciplinary Digital Publishing Institute (MDPI)
, 2020 , Article)
Non-magnetic and magnetic low-cost biochar (BC) from date pits (DP) were applied to remove tigecycline (TIGC) from TIGC-artificially contaminated water samples. Pristine biochar from DP (BCDP) and magnetite-decorated biochar ...
Microstructure and mechanical behavior of hot extruded aluminum/tin-bismuth composites produced by powder metallurgy
(
MDPI AG
, 2020 , Article)
In this study, Al-BiSn composites were synthesized by a combination of microwave sintering and hot extrusion processes. The structural, morphological, mechanical, and thermal properties were investigated to elucidate the ...
On the molecular properties of graphene-pyrazines conjugated Ru and Fe complexes: Computational insights
(
Elsevier
, 2020 , Article)
Graphene and related materials can exhibit substantial molecular properties of significant importance in various landscapes of interests including catalysis. On the other hand, transition-metal-based molecular heterogeneous ...
Physical functionalization of multi-walled carbon nanotubes for enhanced dispersibility in aqueous medium
(
Springer Nature
, 2020 , Article)
Noncovalent functionalization of multi-walled carbon nanotubes (MWCNTs) by anionic surfactants (sodium dodecylbenzene sulfonate; SDBS and sodium cholate; SC) results in stable aqueous dispersions. SDBS showed better ...
Application of Pineapple Leaves as Adsorbents for Removal of Rose Bengal from Wastewater: Process Optimization Operating Face-Centered Central Composite Design (FCCCD)
(
Multidisciplinary Digital Publishing Institute (MDPI)
, 2020 , Article)
Adsorptive removal of rose bengal (RB) from contaminated water samples was approached using pineapple leaves (PAL). Three adsorbents were utilized for that purpose; raw pineapple leaves (RPAL) and the thermally activated ...