[HTML][HTML] Heteroatoms (Si, B, N, and P) doped 2D monolayer MoS 2 for NH 3 gas detection
2D transition metal dichalcogenide MoS2 monolayer quantum dots (MoS2-QD) and their
doped boron (B@ MoS2-QD), nitrogen (N@ MoS2-QD), phosphorus (P@ MoS2-QD), and …
doped boron (B@ MoS2-QD), nitrogen (N@ MoS2-QD), phosphorus (P@ MoS2-QD), and …
Probing the Reactions of Thiourea (CH4N2S) with Metals (X = Au, Hf, Hg, Ir, Os, W, Pt, and Re) Anchored on Fullerene Surfaces (C59X)
Upon various investigations conducted in search for a nanosensor material with the best
sensing performance, the need to explore these materials cannot be overemphasized as …
sensing performance, the need to explore these materials cannot be overemphasized as …
[HTML][HTML] Structural benchmarking, density functional theory simulation, spectroscopic investigation and molecular docking of N-(1H-pyrrol-2-yl) methylene)-4 …
Prostate cancer that is resistant to castration has been a prominent health challenge in the
lives of men, particularly older men. This study looks at the spectroscopic properties, density …
lives of men, particularly older men. This study looks at the spectroscopic properties, density …
[HTML][HTML] Hydrogen storage capacity of C12X12 (X= N, P, and Si)
Nanomaterials have attracted great interest in recent years due to their unique surface
properties. The high surface to volume ratio of these materials has significant implications …
properties. The high surface to volume ratio of these materials has significant implications …
Adsorption properties of metal functionalized fullerene (C59Au, C59Hf, C59Ag, and C59Ir) nanoclusters for application as a biosensor for hydroxyurea (HXU) …
This theoretical study was conducted to evaluate the efficiency of fullerene C60 and its metal
functionalized nano clusters (C59Au, C59Hf, C59Ag and C59Ir) as a sensor for hydroxyurea …
functionalized nano clusters (C59Au, C59Hf, C59Ag and C59Ir) as a sensor for hydroxyurea …
Synthesis, vibrational analysis, molecular property investigation, and molecular docking of new benzenesulphonamide-based carboxamide derivatives against …
Zinc chloride mediated synthesis, density functional theory (DFT) studies and molecular
docking of new carboxamide derivatives containing sulphonamide functionality is reported …
docking of new carboxamide derivatives containing sulphonamide functionality is reported …
Molecular modeling of the spectroscopic, structural, and bioactive potential of tetrahydropalmatine: insight from experimental and theoretical approach
Tetrahydropalmatine have been experimentally reported to have promising biological
applications, although detailed theoretical investigation on its structural activities regarding …
applications, although detailed theoretical investigation on its structural activities regarding …
[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 …
[HTML][HTML] 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 …
[HTML][HTML] Metals (Ga, In) decorated fullerenes as nanosensors for the adsorption of 2, 2-dichlorovinyldimethylphosphate agrochemical based pollutant
Owing to the fact that the use of 2, 2-dichlorovinyldimethylphosphate (DDVP) as an
agrochemical has become a matter of concern due to its persistence and potential harm to …
agrochemical has become a matter of concern due to its persistence and potential harm to …