[HTML][HTML] Fumed-Si-Pr-Ald-Barb as a Fluorescent Chemosensor for the Hg2+ Detection and Cr2O72− Ions: A Combined Experimental and Computational …

G Mohammadi Ziarani, M Rezakhani… - Molecules, 2024 - mdpi.com
The surface of fumed silica nanoparticles was modified by pyridine carbaldehyde and
barbituric acid to provide fumed-Si-Pr-Ald-Barb. The structure was identified and …

Synthesis and DFT Calculation of Hg2+ Fluorescence Chemosensor Based on a New Hybrid Organic–Inorganic Nanoporous Material of SBA‐Pr‐Is‐Hy

Z Panahande, G Mohammadi Ziarani… - Applied …, 2025 - Wiley Online Library
In this study, a new hybrid organic–inorganic nanoporous material of SBA‐Pr‐Is‐Hy was
synthesized by modification of SBA‐15 with (3‐chloropropyl) triethoxysilane to get SBA‐Pr …

Functionalizing UiO-66-NH2 by 4‑chloro-3-formylcoumarin, as an optical chemosensor of Al3+ and F− and its computational studies

GM Ziarani, F Moradi-Chaleshtori… - Journal of Molecular …, 2025 - Elsevier
Metal-organic frameworks (MOFs) have arisen as a promising category of substances for
sensing applications because of their unique structural features and tailorable …

Evaluation of cytotoxicity, chemical composition, antioxidant potential, apoptosis relationship, molecular docking, and MM-GBSA analysis of Rumex crispus leaf …

B Tüzün - Journal of Molecular Structure, 2025 - Elsevier
Medicinal plants have been used in the treatment of diseases for centuries due to their
pharmaceutical activities. It is known that a significant majority of medicinal plants have …

Tailoring of Novel Ru (III) and Cr (III) Salen Complexes as Catalysts for a Sustainable and Green Synthesis of Dihydro‐tetrazolo [1,5‐a] thiazolo [4,5‐d] pyrimidin‐6 …

MAEAAA El‐Remaily, TNA Eskander… - Applied …, 2024 - Wiley Online Library
Two novel Cr (III) and Ru (III) salen complexes based on {3, 4‐Bis‐[(5‐chloro‐2‐hydroxy‐
benzylidene)‐amino]‐phenyl}‐phenyl‐methanone ligand (CSAB) were synthesized. The …

Cobalt (II) complex constructed from pyrazinecarboxamide and aromatic carboxylic acid: synthesis, single crystal XRD along with computational study

MN Deniz, M Ashfaq, S Ozturk… - Journal of …, 2024 - ui.adsabs.harvard.edu
A cobalt (II) mononuclear complex was synthesized by two-nitrobenzoic acid and pyrazine-
two-carboxamide ligands in the presence of sodium bicarbonate and aqueous solution of …

[HTML][HTML] Perturbation-Theory Machine Learning for Multi-Objective Antibacterial Discovery: Current Status and Future Perspectives

VV Kleandrova, MNDS Cordeiro, A Speck-Planche - Applied Sciences, 2025 - mdpi.com
Antibacterial drugs (commonly known as antibiotics) are essential for eradicating bacterial
infections. Nowadays, antibacterial discovery has become an imperative need due to the …

Fabrication, structural inspection, stability studies in solution and DFT calculations of some novel complexes drived from 4-(Benzothiazol-2-yliminomethyl)-phenol …

AM Abu-Dief, M Feizi-Dehnayebi, A Nafady… - Journal of Molecular …, 2025 - Elsevier
A novel category of bioactive Pd (II), Cu (II), and Ni (II) complexes [Pd (C 18 H 16 N 2 O 5
S)],[(C 36 H 44 N 6 O 6 S 2) Cu] and [Ni (C 28 H 24 N 6 O 10 S 2)] had been prepared based …

A comprehensive overview of the synthesis, structure, and application of carboxylate bridged di and polynuclear manganese (III)-salen complexes

M Karmakar, S Koley, S Chattopadhyay - Inorganica Chimica Acta, 2025 - Elsevier
The facile condensation of a diamine and a salicylaldehyde derivative in a 1: 2 M ratio
produces H 2 salen-type Schiff base ligands. They may be used as a N, O donor ligand to …

Anticancer Activity, DFT, Molecular Docking, ADMET, and Molecular Dynamics Simulations Investigations of Schiff Base Derived From 2, 3‐Diaminophenazine and Its …

SM Bufarwa, M Belaidi, LM Abbass… - Applied …, 2025 - Wiley Online Library
In our previous study, Schiff base (1) complexes derived from 2, 3‐diaminophenazine and
metal ions Co (II)(2), Ni (II)(3), Cu (II)(4), and Cd (II)(5) were synthesized and characterized …