Tracking the Molecular-Scale Mechanistic Pathway of Trap**-Bonding CTAB/Fe3O4-AS for High-Performance Cr (VI) Adsorption

B Ren, Y **, X Song, L Zhao, X Han, Y Zhang… - Chemical Engineering …, 2024 - Elsevier
Cr (VI) contamination threatens the environment and health, necessitating urgent,
sustainable removal solutions. Composite biological adsorbents are promising, yet the …

Synthesis, molecular structure, Hirshfeld surface analysis, NCI-RDG, spectral characterization analysis, nonlinear optical properties, and in silico molecular docking of …

S Smati, A Djafri, K Menad, N Boukabcha… - Journal of Molecular …, 2024 - Elsevier
Abstract (E)-3-(3-(2-methoxyphenyl)-4-methylthiazol-2 (3H)-ylidene) benzo [4, 5] imidazo [1,
2-c] thiazole-1 (3H)-thione (EMBIT) was synthesized and studied thoroughly by means of X …

Development and Application of a New QuEChERS Method Coupled with UPLC-QTOF-MS/MS for Analysis of Tiafenacil and Its Photolysis Products in Water

Z Zhou, S Zhang, J Chen, W Luo, F Kang… - Journal of agricultural …, 2024 - ACS Publications
This research centered on the novel pyrimidinedione herbicide, tiafenacil. Residues of
tiafenacil and its three photolysis products (PP1 to PP3) in water were analyzed using …

Theoretical exploration of a di-carbazole based dye for 3rd generation dye-sensitized solar cells

SS Malhotra, M Ahmed, M Kumar, MA Amin… - Materials Today …, 2024 - Elsevier
Dye-sensitized solar cells (DSSCs) are known for their large potential in green, efficient and
cost-effective solar energy technology. Therefore, investigating the solar-to-electricity …

Synthesis, crystal structure, Hirshfeld surface analysis, NCI-RDG, molecular docking, molecular dynamic simulations, and toxicity assessment of 2-((2, 4 …

S Djabbour, A Benmohammed, O Besseboua… - Journal of Molecular …, 2025 - Elsevier
This study reports the synthesis of a hydrazone-like compound with the chemical formula C
23 H 20 N 2 O 3. The synthesis involved reacting benzilmonohydrazone with 2, 4 …

A quinoline derivative exerts antineoplastic efficacy against solid tumour by inducing apoptosis and anti-angiogenesis both in vitro and in vivo

C Kumar, ND Satyanarayan, SR Prasad… - Naunyn-Schmiedeberg's …, 2025 - Springer
Cancer is a heterogeneous and multicomplex disease with the highest morbidity and
mortality rate. The targeting of tumour progression with drugs is a very well-established …

Synthesis, Structure, DFT Investigation, and In Silico Anticancer Activity of N‐(4‐Methoxyphenyl)‐N′‐Methyl Thiourea

N Benharkat, FT Baara, A Chouaih, Ş Atalay… - …, 2025 - Wiley Online Library
Abstract The molecule of N‐(4‐methoxyphenyl)‐N′‐methyl thiourea (NMTU) was
synthesized and characterized through FT‐IR, UV–vis, and 1H, 13C NMR analyses. Its …

Crystal structure, Hirshfeld surface, HOMA, Experimental, Computational, Molecular docking and Antioxidant activity Investigations of New Schiff Base,(E)-2, 4 …

MM Abedin, TK Pal, MC Sheikh, S Paul - … of New Schiff Base,(E)-2 - papers.ssrn.com
A new Schiff base compound with the chemical formula C15H13Br2NO was successfully
synthesized, crystallized and experimentally analyzed. This study aimed to characterize the …