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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 ...
Computational study on the mechanism of the photouncaging reaction of vemurafenib: Toward an enhanced photoprotection approach for photosensitive drugs
(
Multidisciplinary Digital Publishing Institute (MDPI)
, 2021 , Article)
The photochemical behavior of the photosensitive first-line anticancer drug vemurafenib (VFB) is of great interest due to the impact of such behavior on its pharmacological activity. In this work, we computationally ...
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 ...
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 ...
Synchronous spectrofluorimetric study of the supramolecular host–guest interaction of β-cyclodextrin with propranolol: A comparative study
(
Elsevier
, 2015 , Article)
The objective of this work is to assess the use of constant-wavelength synchronous fluorescence spectroscopy (SFS) in comparison to conventional fluorescence spectroscopy (CFS) for the investigation of the supramolecular ...
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 ...
Computational study on the nanotubes formation between olsalazine and β-cyclodextrin
(
Avestia Publishing
, 2017 , Conference Paper)
Interests in cyclodextrin-derived nano-assembled supramolecular systems have recently grown notably [1,2].
Cyclodextrins are a family of oligosaccharides that possess very characteristic features of conical shape with ...
Formulation and rheological characterization of piezoelectric nanofluids
(
Elsevier
, 2023 , Article)
We introduced a novel concept on energy harvesting nanofluids of hybrid piezoelectric ceramic and polymeric (BaTiO3 and PVdF) materials in PDMS. Rheology, rheo-microscope and impedance spectroscopy complementary enabled ...
Efficient electrochemical conversion of CO2 into formic acid using colloidal NiCo@rGO catalyst
(
Elsevier
, 2024 , Article)
A simple approach was used to synthesize a catalyst based on colloidal NiCo with rGO support. The catalyst was uniformly deposited on acid-treated Sn foil using drop-casting method. The prepared NiCo@rGO catalyst was ...
Enhanced electrochemical conversion of CO2 into formic acid using PbSO4/AtSn electrode: Catalyst synthesis and process optimization
(
Elsevier
, 2023 , Article)
Electrochemical carbon dioxide (CO2) reduction is among the most promising and effective methods for producing valuable fuels while simultaneously addressing global warming. Numerous metal-based materials showed promising ...