Histamine sensing by boron and silicon doped C60 fullerenes: A first principles investigation
T Yadav, E Shakerzadeh, AK Vishwkarma… - Diamond and Related …, 2023 - Elsevier
The present study reports adsorption mechanism of histamine on the surfaces of pure, B-or
Si-doped fullerenes. The adsorption of histamine on pure and doped fullerenes has been …
Si-doped fullerenes. The adsorption of histamine on pure and doped fullerenes has been …
Interaction of a synthetic bio-relevant drug-molecule with C24 and B12N12 fullerene: A first-principles quantum chemical investigation
AK Vishwkarma, T Yadav, A Pathak… - Diamond and Related …, 2023 - Elsevier
This research deals with the interaction of a synthetic bio-relevant drug-molecule with
fullerene like nanocages specifically C 24 and B 12 N 12 to explore their potential as carrier …
fullerene like nanocages specifically C 24 and B 12 N 12 to explore their potential as carrier …
Computational insights into the adsorption of norepinephrine neurotransmitter onto B12N12 nanocage
T Yadav, E Shakerzadeh, S Goswami… - Diamond and Related …, 2024 - Elsevier
The present study reports the adsorption behaviour of norepinephrine neurotransmitter onto
boron nitride (B 12 N 12) nanocage to explore its suitability for targeted drug delivery. The …
boron nitride (B 12 N 12) nanocage to explore its suitability for targeted drug delivery. The …
Designing symmetrically folded scaffolds of pyridazinone and triazinone derivatives linked Via N, N-diethyl-4-nitro-benzenesulfonamide: to explore luminescent …
V Kumar, M Nidhar, VP Sharma, P Yadav… - Journal of Materials …, 2025 - pubs.rsc.org
The study investigates the π··· π interaction in the aromatic-heteroaromatic folded scaffold,
as well as (NO) π··· π (arene) and O··· π (arene) of pyridazinone and 1, 2, 4 triazinone and …
as well as (NO) π··· π (arene) and O··· π (arene) of pyridazinone and 1, 2, 4 triazinone and …
In silico investigation on sensing of tyramine by boron and silicon doped C60 fullerenes
S Pattanaik, AK Vishwkarma, T Yadav… - Scientific Reports, 2023 - nature.com
The present communication deals with the adsorption of tyramine neurotransmitter over the
surface of pristine, Boron (B) and Silicon (Si) doped fullerenes. Density functional theory …
surface of pristine, Boron (B) and Silicon (Si) doped fullerenes. Density functional theory …
Molecular modeling, vibrational dynamics and NBO analysis of a synthetic bio‐relevant warfarin analog
T Yadav, AK Vishwkarma, M Mandal, I Karmakar… - Journal of Molecular …, 2023 - Elsevier
We have performed the structural and spectroscopic analysis of a warfarin derivative (3-(1-(4-
fluorophenyl)-3-(2-hydroxyphenyl)-3-oxopropyl)-4-hydroxy-2H-chromen-2-one). One …
fluorophenyl)-3-(2-hydroxyphenyl)-3-oxopropyl)-4-hydroxy-2H-chromen-2-one). One …
Synthesis, Characterization and Cytotoxic Evaluation of New Pyrrolo[1,2-b]pyridazines Obtained via Mesoionic Oxazolo-Pyridazinones
New pyrrolo [1, 2-b] pyridazines were synthesized by 3+ 2 cycloaddition reaction between
mesoionic oxazolo-pyridazinones and methyl/ethyl propiolate. The mesoionic compounds …
mesoionic oxazolo-pyridazinones and methyl/ethyl propiolate. The mesoionic compounds …