Synthesis, spectral characterization, quantum chemical calculations, thermal studies and biological screening of nitrogen and oxygen donor atoms containing Azo-dye Cu(II), Ni(II) and Co(II) complexes

Alothman, Asma A.; Alshgari, Razan A.

doi:10.1016/j.molstruc.2020.128984

Cited by 22 publications

(19 citation statements)

References 42 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The second stage initiated at 277–406°C and attributed to further dissociation of the organic ligand with the production of SnO as the final product with a mass loss of 59.04%. The kinetic and thermodynamic parameters (E, A, ΔH, ΔS, and ΔG) and order (n) were evaluated using the integral approach provided by Coats–Redfern (CR) [ 48 ] (Figure 1, Table 3). The negative values of the activation entropies ΔS* imply a more ordered activated complex than the reactants and/or the reactions are slower than typical.…”

Section: Resultsmentioning

confidence: 99%

Ag(I), In (III), and Sn (II) chelates of azo mesalamine drug: Characterization, DFT studies, molecular docking and biological evaluation

Elaziz

Gaber

El-Wakiel

et al. 2022

Applied Organom Chemis

View full text Add to dashboard Cite

A new set of Ag(I), In (III) and Sn (II) chelates based on azo dye ligand of 5-aminosalicylic acid (H 2 L) were prepared. The structures of this novel chelates have already been confirmed by elemental analysis, thermogravimetric analysis, molar conductance, X-ray diffraction (XRD), UV-Vis, Fourier-transform infrared spectroscopy (FT-IR), and mass spectra. The lower conductivity values showed the non-electrolytic nature. The kinetic and thermodynamic parameters were determined through using Coats-Redfern model, also, potential application; the antibacterial activity of the target compounds was tested by examining their effect on the development of various strains of bacteria. Utilizing UV-visible absorption measurements, we investigated the interaction between calf thymus DNA and the evaluated compounds. According to the findings, the intercalative binding approach, the chelates interact with DNA by assessing the binding constants. Additionally, the in vitro antimicrobial properties of the ligand and its metal chelates were evaluated. The theoretical density functional theory (DFT) simulations for the azo dye ligand (H 2 L) were completed by using B3LYP/6-311G ++ (d,p) basis functions, and the B3LYP/LanL2DZ for Ag(I), In (III), and Sn (II) chelatesshows that the uninuclear Ag(I) and Sn(II) chelates under consideration have a tetrahedral geometry. Although the experimental data are in agreement with the octahedral shape for binuclear In (III) chelate. Molecular docking simulations were carried out using molecular operating environment (MOE) software for the ligand and its chelates. Docking simulation results indicated that the Ag(I) chelate was more potent and exhibited a higher affinity for the (3QKK) protein than the In (III) and Sn (II) chelates. This is in agreements with the biological evaluations under studies.

show abstract

Section: Resultsmentioning

confidence: 99%

Ag(I), In (III), and Sn (II) chelates of azo mesalamine drug: Characterization, DFT studies, molecular docking and biological evaluation

Elaziz

Gaber

El-Wakiel

et al. 2022

Applied Organom Chemis

View full text Add to dashboard Cite

show abstract

“…76 Additionally, the new signal observed at 522 cm -1 is indicative of metal-oxygen ν(M-O) interactions. 44,77,78 Computational analysis con rmed the proposed binding site of Hg 2+ and the NO 3 counterion with AD1.…”

Section: Complexation Site Of Ad1 With Hg 2+mentioning

confidence: 91%

“…43 Coumarin-based azo compounds bearing an N = N functionality form a segment of ligands with donor atoms (N and O) capable of coordinating with various metal ions which can be used for the fabrication of colorimetric probes. 44 Azo-dyes are coloured organic compounds that have displayed favourable characteristics such as excellent absorption and emission properties, molar absorption coe cient, solvatochromism, and can undergo photochemical and thermal isomerization. 45 The incorporation of the azo-functionality to the coumarin heterocycle is responsible for the colour production in the visible region forming the coumarin-azo chromophore.…”

Section: Introductionmentioning

confidence: 99%

A Coumarin-azo Derived Colorimetric Chemosensor for Hg2+ Detection in Organic and Aqueous Media and its Extended Real-world Applications

2022

View full text Add to dashboard Cite

Pollution caused by the release of toxic heavy metals into the environment by industrial and farming processes has been regarded as a major problem worldwide. This has attracted a great deal of attention into restoration and remediation. Mercury is classi ed as a toxic heavy metal which has posed signi cant challenges to public and environmental health. To date, conventional methods for mercury detection rely on expensive, destructive, complex, and highly specialized methods. Evidently, there is a need to develop systems capable of easily identifying and quantifying mercury within the environment. In this way, organic-based colorimetric chemosensors are gaining increasing popularity due to their high sensitivity, selectivity, cost-effectiveness, ease of design, naked-eye, and on-site detection ability. The formation of coumarin-azo derivative AD1 was carried out by a conventional diazotization reaction with coumarinamine 1c and N,N-dimethylaniline. Sensor AD1 displayed remarkable visual colour change upon mercury addition with appreciable selectivity and sensitivity. The detection limit was calculated as 0.24 µM.Additionally, the reversible nature of AD1 allowed for the construction of an IMPLICATION type logic gate and Molecular Keypad Lock. Chemosensor AD1 displayed further sensing applications in real-world water samples and towards on-site assay methods. Herein, we describe a coumarin-derived chemosensor bearing an azo (N = N) functionality for the colorimetric and quantitative determination of Hg 2+ in organic and aqueous media.

show abstract

“…for Co (II) complexes undoubtedly suggest low spin octahedral geometry with one unpaired electron for Co (II) complexes, that are strong evidence for the strong field of poly dentate ligands of triazole derivatives. The dark green solution of Cu (II) complex showed shoulder peak at 13333 cm -1 and other at 23585 cm -1 which are attributed to 2 Eg → 2 T2g, LMCT respectively [40]. The magnetic moment values of 1.78 B.M.…”

Section: Molar Conductance Electronic Spectra and Magnetic Propertiesmentioning

confidence: 95%

“…A second similar volume of di methyl sulfate was added and stirring continued for a greater range of (20 minutes). The temperature will increase to (40)(41)(42)(43)(44)(45) ° C during this second addition. The flask is then fitted with a reflux condenser and the contents are cooked for two hours by stirring.…”

Section: Synthesis Of 345-trimethoxybenzoic Acid (S1)mentioning

confidence: 99%

Synthesis, Characterization and Theoretical Study of Some Transition Metal Complexes with New Schiff Base Derived from 1,2,4-triazole

et al. 2021

View full text Add to dashboard Cite

The present work involves, new Schiff base of (E)-2- (((3-mercapto-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4yl)imino)methyl)phenol (L2) has been synthesized by condensation reaction of 4-amino-5-(3,4,5 trimethoxy phenyl)-4H-1,2,4triazole-3-thiol with 2-hydroxybenzaldehyde. The new Schiff base (L2) used as a ligand to synthesize a new complex with Co(II), Ni(II), Cu(II), Pd(II), and Cd(II) metal ions by 1:1 (Metal: ligand) ratio. New ligand and their complexes have been exanimated and confirmed by fourier-transform infrared (FT-IR), ultraviolet-visible (UV-visible), proton nuclear magnetic resonance ( 1 HNMR), carbon13 nuclear magnetic resonance ( 13 CNMR), microelement analysis (CHNS), thermal analysis (TG-DSC), atomic absorption flame (AAF), conductivity and magnetic susceptibility. The results obtained from spectra, elemental analyses and thermal analyses (TG-DSC) and compare by density functional theory (DFT) and TD-DFT calculations were screened for some selected complexes and the observed data indicated their stability and the expected chemical formula, Pd(II) were square planner, whereas the Cu(II), Co(II), Ni(II) octahedral, and Cd(II) were tetrahedral geometry . Furthermore, the antibacterial and antifungal activity was screened for the DMSO solution concerning the Schiff base (L2) and its complexes (20 µg/ml) against two kinds of gram; (Staphylococcus aureas and Bacillus subtilis) positive and two negative bacteria; (Esherichia coli and Burkholderia) and against (Candida albican) fungi. The results obtained from diffusion method confirmed the greater activity of Pd(II) and Cd(II) complexes whereas the Co(II),Cu(II) and Ni(II) complexes showed medium activity compared with the low inhibition zones of the free Schiff base of 1, 2, 4-triazole derivative.

show abstract

Synthesis, spectral characterization, quantum chemical calculations, thermal studies and biological screening of nitrogen and oxygen donor atoms containing Azo-dye Cu(II), Ni(II) and Co(II) complexes

Cited by 22 publications

References 42 publications

Ag(I), In (III), and Sn (II) chelates of azo mesalamine drug: Characterization, DFT studies, molecular docking and biological evaluation

Ag(I), In (III), and Sn (II) chelates of azo mesalamine drug: Characterization, DFT studies, molecular docking and biological evaluation

A Coumarin-azo Derived Colorimetric Chemosensor for Hg2+ Detection in Organic and Aqueous Media and its Extended Real-world Applications

Synthesis, Characterization and Theoretical Study of Some Transition Metal Complexes with New Schiff Base Derived from 1,2,4-triazole

Contact Info

Product

Resources

About