New aroyl heterocyclic (E)-N′-((2-hydroxynaphthalen-1-yl)methylene)-4-oxopiperidine-1-carbohydrazide and its metal complexes: synthesis, spectroscopic, thermal, DFT, molecular docking and antimicrobial studies DOI
Gajanan Dongare, A. S. Aswar

Research on Chemical Intermediates, Journal Year: 2023, Volume and Issue: 50(2), P. 745 - 788

Published: Nov. 9, 2023

Language: Английский

Complexes of β-lactam antibiotics and their Schiff-base derivatives as a weapon in the fight against bacterial resistance DOI
Michał Zabiszak, Justyna Frymark, Kazuma Ogawa

et al.

Coordination Chemistry Reviews, Journal Year: 2023, Volume and Issue: 493, P. 215326 - 215326

Published: July 4, 2023

Language: Английский

Citations

28
Synthesis, characterization, biological activity, DFT, molecular docking and ADME studies of metal (II) complexes of a bidentate Schiff’s base (E)-4-chloro-2-((2-hydroxy-3-methoxybenzylidene)amino)benzoic acid DOI

Manisha,

Amit Kumar, Mohammad Abid

et al.

Journal of Dispersion Science and Technology, Journal Year: 2025, Volume and Issue: unknown, P. 1 - 14

Published: Feb. 11, 2025

Language: Английский

Citations

1
Design, synthesis, and density functional theory studies of a new selective chemosensor for Pb2+ DOI Creative Commons
Hamid Hadi, Bouzid Gassoumi, Samia Nasr

et al.

Heliyon, Journal Year: 2023, Volume and Issue: 9(9), P. e20206 - e20206

Published: Sept. 1, 2023

Herein, we have focused on a new colorimetric ligand synthesized from the reaction of 2-hydroxy-5-methylbenzene-1,3-dialdehyde with 2-amino-thiophenol, and investigated its activity as sensor. In this regard, sensory towards different ions (Mn2+, Cu2+, Co2+, Fe2+, Fe3+, Zn2+, Ni2+, Cd2+, Ag+, Na+, Cs+, Mg2+, Al3+, Ba2+, K+, Pb2+) was studied. The specificity ion bindings is discussed through UV–Vis analysis. that showed remarkable sensitivity, detection limit 0.001 ppb. Additionally, presence Pb2+ can be visually detected color change colorless to yellow. last part work, seek predict available experimental measurements. Density functional theory (DFT) quantum atoms in molecules (QTAIM) are employed examine bonding between ion. effect water solvent thoroughly examined for all steps via conductor-like Polarizable Continuum Model (CPCM). theoretical findings revealed electronic properties, including energy gap, adsorption energy, charge/energy transfer, optical characteristics, undergo significant changes when cations present. Hence, it inferred newly chemosensor (NC) highly efficient detecting Pb2+.

Language: Английский

Citations

19
A green and efficient process for the stepwise extraction of Cu, Ni, Co, Mn, and Li from hazardous waste with a novel solvent extraction system of D2EHPA-NNPA DOI
Qiyuan Zheng, Li Zeng,

Zuoying Cao

et al.

Green Chemistry, Journal Year: 2023, Volume and Issue: 25(23), P. 10020 - 10032

Published: Jan. 1, 2023

Schematic structure of D2EHPA and NNPA the metal extraction pH isotherms their synergistic system.

Language: Английский

Citations

13
Synthesis and characterization of new 4-amino-5-methyl-4H-1,2,4-triazole-3-thiol (MMTP) Schiff base for spectrophotometric detection of iron(III) and copper(II) ions in laboratory and different water samples: A biological and molecular docking exploration DOI
Badr Abd El-wahaab,

Mounir Zaky Saad,

Sameh I. El‐Desoky

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1318, P. 139255 - 139255

Published: July 10, 2024

Language: Английский

Citations

3
Novel Cu-II Complexes of 2-Hydroxy 4-Methoxy Benzylidene 2-Hydroxy Benzhydrazide: Synthesis, Spectral Characterization, Thermal, Antimicrobial, Antioxidant and Catalytic activity Study DOI Creative Commons

Sangeeta Korane,

Babasaheb D. Bhosale, Amol Maruti Jadhav

et al.

Research Square (Research Square), Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 4, 2024

Abstract The novel hydrazone ligand 2-hydroxy 4-methoxy benzylidene benzhydrazide [HL] was prepared by condensing and benzaldehyde in methanol solvent. Cu-II complexes [Cu(HL)(NO3)].1/3H2O (1a), [{Cu (HL)}2 (μ-SO4)].12/3H2O(2a), [Cu(HL)(H2O) Cl](3a) were synthesized refluxing salts CuNO3.3H2O CuSO4.5H2O CuCl2.2H2O with solution of characterized spectral techniques (FT-IR,1H-NMR,13C–NMR,UV-Visible, PXRD study).The are further thermo gravimetric(TG)analysis, molar conductivity, elemental analysis magnetic susceptibility measurement study. FT-IR spectra provides valuable information about different coordination sites. UV-Visible spectroscopy reflect LMCT bands from 242718- 261780 cm-1 and d-d the range 143884-156250 cm-1 addition to n-π*and π -π*transition all complexes. Square planar square pyramidal geometry proposed for as illustrated magnetic, electronic spectroscopic data. X-ray powder diffraction reveals crystalline nature experimental results TGA good agreement data A comparison physicochemical very useful creating correct assignments understanding structure complex. act tribasic tridentate chelating through phenolate oxygen, azomethine nitrogen oxygen enolate donar functionality copper-II ion. antibacterial potential complex catalysts evaluated against human pathogenic bacteria such as Bacillus subtilties, Bacillus cereus, Escherichia coli, Pseudomonas velgaris,and Staphylococcus aureus etc. Also, Cu (II) demonstrate significant antioxidant activity. catalytic performance alcohol oxidation using hydrogen peroxide a green oxidant is also investigated.

Language: Английский

Citations

0
Synthesis of <I>N</I>'-(2,3-dihydroxybenzylidene)-4-methylbenzohydrazide: Spectroscopic Characterization and X-ray Structure Determination DOI Creative Commons
Alioune Fall,

Mohamedou El Boukhary,

Thierno Seck

et al.

Modern Chemistry, Journal Year: 2023, Volume and Issue: unknown

Published: May 10, 2023

p-Toluic hydrazide was used for synthetizing a new Schiff base N'-(2,3-dihydroxybenzylidene)-4-methylbenzohydrazide (I). The prepared compound characterized by elemental analysis, infrared and 1H 13C NMR spectroscopy techniques, the structure of (I) determined single-crystal X-ray diffraction study. (C15H14N2O3) crystallises in monoclinic space group P21/n with following unit cell parameters: a = 11.7820 (6) Å, b 8.5278 (4) c 13.6054 (7) β 109.346 (5)°, V = 1289.81 (12) Å3, Z 4, R1 0.071 wR2 0.197. shows that adopts an E configuration respect to double bond C7=N1. carbonyl oxygen atom O3 nitrogen N1 moiety are syn conformation C8—N2 bond. crystal packing is stabilized intramolecular O(phenol)–H•••N(carbohydrazide) which results S(6) ring motif intermolecular O(phenol)–H•••O(carbohydrazide) hydrogen bonds form chains. carbonohydrazide C=N–N–C(O)–N–N=C fragment almost coplanar two benzene rings dihedral angles their mean planes 10.35° [C1—C6] 7.99° [C9—C14], respectively. angle between phenyl 2.46°.

Language: Английский

Citations

0
New N-heterocyclic aroyl hydrazone containing 4-oxopiperidine nucleus and its metal complexes: synthesis, spectroscopic, thermal, DFT, molecular docking and antimicrobial studies DOI Creative Commons
Gajanan Dongare, A. S. Aswar

Research Square (Research Square), Journal Year: 2023, Volume and Issue: unknown

Published: Sept. 18, 2023

Abstract In order to resist the growth of human pathogenic microorganisms, we have synthesized a new N-heterocyclic hydrazone ligand ( E )–N'–(2-hydroxynaphthalen-1-yl)methylene-4-oxopiperidine-1-carbohydrazide (H 2 L) from condensation reaction 4-oxo-1-carbopiperidone hydrazide and 2-hydroxy-1-naphthaldehyde. The reacted with metal salt (M(II/III).Cl ).nH O formed two types complexes [M(III)C 17 H 19 N 3 5 Cl] [M(II)C 20 adopted octahedral geometry; where M = Cr(III), Fe(III), Mn(II), Co(II), Ni(II), Cu(II) ion. was thoroughly characterized by elemental analysis, FT − IR, UV Vis, NMR 1 H, 13 C), HR-mass spectroscopy. Furthermore, structural properties been established on basis UV-vis spectra, molar conductivity, magnetic susceptibility, ESR, TG-DTA analysis. behaves dibasic, linkages via phenolic-O, azomethine-N, enolic-O atoms in (III) monobasic metal(II) complexes. decomposition pattern were ascertained thermal kinetics accountability Coats–Redfern relation. compounds excited at λ ex 380 nm observed good emission intensity em λ527–533 nm. surface morphology distinct complex proven an imaging SEM molecular geometry optimization, quantum chemical retrieved DFT. ADMET score predicted as drug-likeness prospect admetSAR method. docking outcomes displayed binding Adenylate kinase, Peptide deformylase (bacterial enzyme) DNA polymerase (fungal enzyme).The vitro antimicrobial potency its showed promising activity against bacterial colony Escherichia coli , Salmonella typhi Staphylococcus aureus, Bacillus substilis) fungal Candida albicans Aspergillus niger) .

Language: Английский

Citations

0
New aroyl heterocyclic (E)-N′-((2-hydroxynaphthalen-1-yl)methylene)-4-oxopiperidine-1-carbohydrazide and its metal complexes: synthesis, spectroscopic, thermal, DFT, molecular docking and antimicrobial studies DOI
Gajanan Dongare, A. S. Aswar

Research on Chemical Intermediates, Journal Year: 2023, Volume and Issue: 50(2), P. 745 - 788

Published: Nov. 9, 2023

Language: Английский

Citations

0