The therapeutic journey of pyridazinone

W Akhtar, M Shaquiquzzaman, M Akhter… - European journal of …, 2016 - Elsevier
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 …

[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 …

Electrochemical degradation of pyridine by Ti/SnO2–Sb tubular porous electrode

D Li, J Tang, X Zhou, J Li, X Sun, J Shen, L Wang… - Chemosphere, 2016 - Elsevier
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 …

Poly (ether imide) porous membrane developed by a scalable method for high-performance lithium–sulfur batteries: combined theoretical and experimental study

W Raza, A Hussain, A Mehmood, Y Deng… - … Applied Materials & …, 2022 - ACS Publications
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 …

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 …

Theoretical design and characterization of D-A1-A based organic dyes for efficient DSSC by altering promising acceptor (A1) moiety

M Hachi, A Slimi, A Fitri, AT Benjelloun… - … of Photochemistry and …, 2021 - Elsevier
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 …

Computational study of the copolymerization mechanism of ethylene with methyl 2-acetamidoacrylate catalyzed by phosphine-sulfonate palladium complexes

A Mehmood, X Xu, W Raza, D Kukkar, KH Kim… - New Journal of …, 2021 - pubs.rsc.org
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) …

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 …

[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 …

I Shafiq, U Shoukat, MA Asghar, M Aslam… - Journal of Saudi …, 2024 - Elsevier
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 …

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 …