Electrocatalytic activity of metal encapsulated, doped, and engineered fullerene-based nanostructured materials towards hydrogen evolution reaction
The utilization of nanostructured materials as efficient catalyst for several processes has
increased tremendously, and carbon-based nanostructured materials encompassing …
increased tremendously, and carbon-based nanostructured materials encompassing …
Therapeutic potential of stilbenes in neuropsychiatric and neurological disorders: A comprehensive review of preclinical and clinical evidence
K Socała, E Żmudzka, K Lustyk, M Zagaja… - Phytotherapy …, 2024 - Wiley Online Library
Neuropsychiatric disorders are anticipated to be a leading health concern in the near future,
emphasizing an outstanding need for the development of new effective therapeutics to treat …
emphasizing an outstanding need for the development of new effective therapeutics to treat …
[HTML][HTML] Structural analysis, reactivity descriptors (HOMO-LUMO, ELF, NBO), effect of polar (DMSO, EtOH, H2O) solvation, and libido-enhancing potential of resveratrol …
EA Adindu, OC Godfrey, EI Agwupuye… - Chemical Physics …, 2023 - Elsevier
The profound impact of health challenges related to libido, encompassing sexual
dysfunction, hormonal imbalances, relationship difficulties, stress, anxiety, depression, and …
dysfunction, hormonal imbalances, relationship difficulties, stress, anxiety, depression, and …
The Assessment of Anticancer and VEGFR-2 Inhibitory Activities of a New 1H-Indole Derivative: In Silico and In Vitro Approaches
Corresponding to the reported features of anti-VEGFR-2-approved compounds, a new 1 H-
indole derivative (compound 7) was designed. The inhibitory potential of the designed …
indole derivative (compound 7) was designed. The inhibitory potential of the designed …
Observations into the reactivity, docking, DFT, and MD simulations of fludarabine and clofarabine in various solvents
Abstract Fludarabine (FA) and Clofarabine (FCA) two novel drugs are studied
experimentally and theoretically. The solvation free energies of FA and FCA molecules have …
experimentally and theoretically. The solvation free energies of FA and FCA molecules have …
RETRACTED: Metal-Doped Al12N12X (X = Na, Mg, K) Nanoclusters as Nanosensors for Carboplatin: Insight from First-Principles Computation
H Louis, GE Mathias, OJ Ikenyirimba… - The Journal of …, 2022 - ACS Publications
This theoretical study focuses on the adsorption, reactivity, topological analysis, and sensing
behavior of metal-doped (K, Na, and Mg) aluminum nitride (Al12N12) nanoclusters using the …
behavior of metal-doped (K, Na, and Mg) aluminum nitride (Al12N12) nanoclusters using the …
Solvent potential effects (topological aspects, electron excitation), spectral characterization and biological attributes of NLO active 1-(2, 4-dinitrophenyl)-2-((E)-3 …
JNC Mishma, VB Jothy, A Irfan, B Narayana… - Journal of Molecular …, 2023 - Elsevier
Density functional theory (DFT) method has many applications in relation to biological as
well as NLO behaviour. It emerged as the most economically viable method for studying …
well as NLO behaviour. It emerged as the most economically viable method for studying …
Antitubercolusic potential of amino-(formylphenyl) diazenyl-hydroxyl and nitro-substituted naphthalene-sulfonic acid derivatives: experimental and theoretical …
EC Agwamba, I Benjamin, H Louis, AD Udoikono… - Chemistry Africa, 2022 - Springer
Tuberculosis (TB) is a long-term infection caused by the bacteria Mycobacterium
tuberculosis, which continues to kill more people each year than any other infectious illness …
tuberculosis, which continues to kill more people each year than any other infectious illness …
Targeting inhibition of microtubule affinity regulating kinase 4 by Harmaline: Strategy to combat Alzheimer's disease
Microtubule-affinity regulating kinase 4 (MARK4) is linked with the development of cancer,
diabetes and neurodegenerative diseases. Due to its direct role in the hyperphosphorylation …
diabetes and neurodegenerative diseases. Due to its direct role in the hyperphosphorylation …
Antibacterial potential of N-(2-furylmethylidene)-1, 3, 4-thiadiazole-2-amine: Experimental and theoretical investigations
Recently, a lot of interest has been attributed to the Schiff base compound because of its
wide range of biological activities which include: antibacterial, antifungal, antima larial …
wide range of biological activities which include: antibacterial, antifungal, antima larial …