Yttrium-and zirconium-decorated Mg 12 O 12–X (X= Y, Zr) nanoclusters as sensors for diazomethane (CH 2 N 2) gas
Diazomethane (CH2N2) presents a notable hazard as a respiratory irritant, resulting in
various adverse effects upon exposure. Consequently, there has been increasing concern in …
various adverse effects upon exposure. Consequently, there has been increasing concern in …
[HTML][HTML] Functionalized boron doped graphene (BGP) as smart nanocarrier for delivery of hydroxyurea (HU) drug
The concerning toxicity associated with hydroxyurea (HU), an anticancer drug used in
cancer treatment, has spurred significant attention within the research community over the …
cancer treatment, has spurred significant attention within the research community over the …
Detection of hydroxymethanesulfonate (HMS) by transition metal-anchored fullerene nanoclusters
Herein, theoretical study on the adsorption and detection of hydroxymethanesulfonate (HMS-
CH 3 O 4 S) gas onto the surfaces of transition metal dopedfullerene: C23Cr, C23Fe, C23Ni …
CH 3 O 4 S) gas onto the surfaces of transition metal dopedfullerene: C23Cr, C23Fe, C23Ni …
Exploring the interaction between the newly designed antitumor Zn (II) complex and CT-DNA/BSA: Spectroscopic methods, DFT computational analysis, and docking …
AS Dorafshan Tabatabai, E Dehghanian… - Applied biochemistry …, 2023 - Springer
A new zinc (II) complex formulated as [Zn (pipr-ac) 2], where pipr-ac stands for
piperidineacetate, was synthesized and structurally identified with the help of experimental …
piperidineacetate, was synthesized and structurally identified with the help of experimental …
Role of solvents in molecular level interaction, reactivity and spectral characterisation of 2-Amino-3-(((E)-4-(dimethylamino) benzylidene) amino) maleonitrile: Anti …
JNC Mishma, VB Jothy, A Irfan, B Narayana… - Journal of Molecular …, 2023 - Elsevier
Amino-3-(((E)-4-(dimethylamino) benzylidene) amino) maleonitrile (DMABAM) is
investigated structurally, spectroscopically, reactivity-wise and as having in silico …
investigated structurally, spectroscopically, reactivity-wise and as having in silico …
Computational study of the interaction of metal ions (Na+, K+, Mg2+, Ca2+, and Al3+) with Quercetin and its antioxidant properties
In recent years, the chelation between quercetin and transition metals has attracted much
attention because the complexes formed have higher antioxidant and medicinal activities …
attention because the complexes formed have higher antioxidant and medicinal activities …
Influence of solvation on the spectral, molecular structure, and antileukemic activity of 1-benzyl-3-hydroxy-2-methylpyridin-4 (1H)-one
This research focuses on the synthesis, X-ray crystallography, spectral characterization, and
the influence of solvents on electronic molecular properties, vibrational analysis, and …
the influence of solvents on electronic molecular properties, vibrational analysis, and …
[HTML][HTML] Antilymphoma activities of benzo bisthiazole derivative by molecular docking, impact of solvation, quantum chemical study, and spectroscopic (FT-IR, UV …
Lymphoma, a type of cancer that affects the lymphatic system—an essential element of the
body's immune defense—has captured increased interest from modern researchers. This …
body's immune defense—has captured increased interest from modern researchers. This …
Spectroscopic, structural, and intermolecular interactions of 4-(2-hydroxy-3-methoxybenzylideneamino)-N-(5-methylisoxazol-3-yl) benzenesulfonamide enol-imine …
H Louis, GJ Ogunwale, EC Agwamba… - Journal of Molecular …, 2023 - Elsevier
The spectroscopic (IR vibrational snd UV–vis analysis), structural, electronic properties,
NBO, QTAIM studies of enol-imine (A) and keto-amine (B) isomers of 4-(2‑hydroxy-3 …
NBO, QTAIM studies of enol-imine (A) and keto-amine (B) isomers of 4-(2‑hydroxy-3 …
Investigation on the molecular, electronic and spectroscopic properties of rosmarinic acid: an intuition from an experimental and computational perspective
Various drugs such as corticosteroids, salbutamol, and β2 agonist are available for the
treatment of asthma an inflammatory disease and its symptoms, although the ingredient and …
treatment of asthma an inflammatory disease and its symptoms, although the ingredient and …