The therapeutic journey of pyridazinone
Pyridazinones have drawn a substantial attention within the field of research analysis and
development. The moiety is a subject matter of intensive research because of its wide …
development. The moiety is a subject matter of intensive research because of its wide …
[HTML][HTML] Computational analysis of eugenol inhibitory activity in lipoxygenase and cyclooxygenase pathways
F Das Chagas Pereira de Andrade, AN Mendes - Scientific reports, 2020 - nature.com
Chronic inflammation is triggered by numerous diseases such as osteoarthritis, Crohn's
disease and cancer. The control of the pro-inflammatory process can prevent, mitigate …
disease and cancer. The control of the pro-inflammatory process can prevent, mitigate …
Electrochemical degradation of pyridine by Ti/SnO2–Sb tubular porous electrode
Diffusion in electrochemistry is a critical issue for water purification. Electrocatalytic reactor
system in improving water quality is a useful way to induce convection to enhance diffusion …
system in improving water quality is a useful way to induce convection to enhance diffusion …
Poly (ether imide) porous membrane developed by a scalable method for high-performance lithium–sulfur batteries: combined theoretical and experimental study
Lithium–sulfur (Li–S) batteries are one of the emerging candidates for energy storage
systems due to their high theoretical energy density and the abundance/nontoxicity/low cost …
systems due to their high theoretical energy density and the abundance/nontoxicity/low cost …
Spectroscopic (FT-IR, FT-Raman and UV-Vis), computational (ELF, LOL, NBO, HOMO-LUMO, Fukui, MEP) studies and molecular docking on benzodiazepine …
S Sevvanthi, S Muthu, S Aayisha, P Ramesh… - Chemical Data …, 2020 - Elsevier
Benzodiazepines block the activity of nerves in the brain and the central nervous system
whenever it is exceeded. The benzodiazepine derivatives such as CZ and OZ have been …
whenever it is exceeded. The benzodiazepine derivatives such as CZ and OZ have been …
Theoretical design and characterization of D-A1-A based organic dyes for efficient DSSC by altering promising acceptor (A1) moiety
The electronic, optical and photovoltaic properties of dyes can be readily tuned by modifying
the structure. Herein, the thieno [2, 3-b] indole (Thi)-based molecules derived from dye NTU …
the structure. Herein, the thieno [2, 3-b] indole (Thi)-based molecules derived from dye NTU …
Computational study of the copolymerization mechanism of ethylene with methyl 2-acetamidoacrylate catalyzed by phosphine-sulfonate palladium complexes
In this research, a computational study is carried out to describe the insertion of a vital
monomer, methyl 2-acetamidoacrylate (MAAA), into catalyst A (A=[(POOMe, OMe) …
monomer, methyl 2-acetamidoacrylate (MAAA), into catalyst A (A=[(POOMe, OMe) …
DFT-aided infrared and electronic circular dichroism spectroscopic study of cyclopeptide S-PK6 and the exploration of its antitumor potential by molecular docking
X Zhang, T Li, L Zhao, H Xu, C Yan, Y Jin… - Journal of Molecular …, 2023 - Elsevier
Cyclic peptides have been widely explored as new chemical modalities in drug design, yet
the structural study of bioactive cyclic peptides is often difficult due to the irregular …
the structural study of bioactive cyclic peptides is often difficult due to the irregular …
[HTML][HTML] Structural tailoring via end-capped acceptors of thiophene-based C-shaped non-fullerene compounds with A-π-A backbone for the exploration of photovoltaic …
In the current era, non-fullerene based electron acceptors show remarkable contribution to
develop organic solar cells (OSCs) with maximum possible efficiency via improving their …
develop organic solar cells (OSCs) with maximum possible efficiency via improving their …
Study of the Optoelectronic, Nonlinear Properties and Spectroscopic analysis of the molecule fulminene using ab initio and DFT methods
LF Tsague, GW Ejuh, JMB Ndjaka - Optical and Quantum Electronics, 2022 - Springer
Fulminene is a crystalline polycyclic aromatic hydrocarbon (PAH) and is one of the most
promising materials for organic optoelectronics. The molecular geometries of fulminene in …
promising materials for organic optoelectronics. The molecular geometries of fulminene in …