Novel 1, 3‐diphenyl‐4‐(N, N‐dimethylimido dicarbonimidic diamide azo)‐5‐pyrazolone and its chelates with manganese, nickel, copper, and zinc divalent metal ions …

OA Abbas, OM El‐Roudi… - Applied Organometallic …, 2023 - Wiley Online Library
A novel 1, 3‐diphenyl‐4‐(N, N‐dimethylimidodicarbonimidic diamide azo)‐5‐pyrazolone as
a ligand, simplified as DNP, and its chelates were prepared. Characterization of the …

Design, synthesis, structural characterization, molecular docking, antibacterial, anticancer activities, and density functional theory calculations of novel MnII, CoII, NiII …

AQS Soliman, SA Abdel-Latif, S Abdel-Khalik… - Journal of Molecular …, 2024 - Elsevier
This study was designed to prepare novel metal chelates obtained from 4-((3-methyl-5-oxo-
1-phenyl-pyrazol-4-yl) diazenyl)-N-(pyrimidin-2-yl) benzenesulfon amide (MPSA). They are …

A smartphone-based visual ratiometric fluoroprobe for rapid and sensitive detection hypochlorous acid based on dual-emission metal organic frameworks

G Wang, K Chen, H Wang, C Chen, X Wang - Talanta, 2023 - Elsevier
Herein, we designed/developed a mixed fluorescence system with europium metal-organic
framework (EDB) and zinc metal-organic framework (ZBNB). At the 270-nm excitation …

Surface functionalization of sulflower with superhalogens do** to achieve robustly large nonlinear optical response: interactive design computation of new NLO …

A Anwar, R Hussain, MU Khan, J Yaqoob… - Polycyclic Aromatic …, 2024 - Taylor & Francis
Develo** highly effective nonlinear optical (NLO) materials is a cutting-edge field of study.
The desirability of promising NLO materials for optoelectronic and electronic applications …

Development of efficient fluorescent sensor for the detection of hazard aromatic nitro compounds via N-(1-naphthyl) ethylenediamine: experimental and DFT studies

E Elbayoumy, MO Elassi, GM Khairy… - Journal of Molecular …, 2023 - Elsevier
Selective detection of the poisonous aromatic nitro compounds (ANCs) in the industrial
wastewater is urgently needed to regulate its percentage and thereby aid in environmental …

Computational, reactivity, fukui function, molecular docking, and spectroscopic studies of a novel (E)-1-Benzyl-3-(2-(Pyrindin-2-yl) Hydrazono) Indolin-2-One

D Divya, V Srinivasan, A Prabakaran… - Polycyclic Aromatic …, 2024 - Taylor & Francis
Abstract (E)-1-benzyl-3-(2-pyridine-2-yl) hydrazono) indolin-2-one (BPHI), an aromatic
moiety, were subjected to a collection of theoretical studies with the help of the Gaussian 09 …

Electrochemical studies: Biological evaluation of the homometallic‐binuclear complexes of malonate‐derived tetradentate O2N2 ligand

MG Rizk, HS Magar, AM Fahim… - Applied …, 2024 - Wiley Online Library
Novel metal complexes were synthesized by mixing N1, N3‐bis (4‐phenylthiazol‐2‐yl)
malonamide with Cr (III), Fe (III), Cu (II), and Zn (II) nitrates in a 1: 2 (L: metal) ratio. Through …

Synthesis, characterization, and photocatalytic activity for water remediation and hydrogen evolution of Zn (II) and Ni (II) bis (thiosemicarbazone) complexes

R Burón, D Jiménez‐Gómez… - Applied …, 2024 - Wiley Online Library
The extensive industrial use of organic dyes causes large amounts of these substances to
arrive at water sources, so nowadays, organic compound removal from fresh water is a …

Molecular docking studies, DFT, and ADMET calculations of some flavonoids and their characteristic structural features involved in inhibition of pro-inflammatory …

FJ Mohammad Ali, F Zare, A Sakhteman… - Natural Product …, 2024 - Taylor & Francis
Inflammation is an immune system response triggered by pathogens, damaged cells, or
stimuli. Some regulatory enzymes, such as phosphodiesterase, hyaluronidase, collagenase …

Synthesis, crystal structure, spectroscopic characterization, DFT calculations, Hirshfeld surface analysis, molecular docking, and molecular dynamics simulation …

Y Ait Elmachkouri, E Irrou, AA Thiruvalluvar… - Journal of …, 2024 - Taylor & Francis
A series of new pyrazolopyranopyrimidine derivatives (3-9) were synthesized from 5-amino-
2, 4-dihydro-3-methyl-4-phenylpyrano-[2, 3-c] pyrazole-5-carbonitrile (2) by multicomponent …