Synthesized Metal Complexes Research Articles

Copper-Based Electrochemical Sensor Derived from Thiosemicarbazide for Selective Detection of Neurotransmitter Dopamine.

This paper presents the synthesis of the ligand 1-picolinoyl-4-cyclohexyl-3-thiosemicarbazide (H2pctc) and new metal complexes [Ni(Hpctc)2] (1), [Cu(Hpctc)Cl] (2), and [Cd(Hpctc)2] (3). The synthesized metal complexes were precisely characterized using single crystal X-ray diffraction (SC-XRD). In addition, complexes 1-3 were also characterized by UV-vis, fluorescence, and infrared spectroscopy. SC-XRD data confirmed the distorted octahedral geometry around the Ni(II) and Cd(II) centers and the distorted square planar geometry around the Cu(II) center. Data derived from the emission spectra depict that higher fluorescence intensity was exhibited by complexes 1, 2, and 3 in comparison to that of the free ligand H2pctc, and complex 3 showed the maximum intensity. Further, these metal complex-modified GCEs (glassy carbon electrodes) were utilized for electrochemical sensing of dopamine (DPM). The electrochemical studies of these complexes were performed using modified glassy carbon electrodes supported by electrical impedance spectroscopy (EIS) and cyclic voltammetry (CV) methods. In contrast to complexes 1 and 3, complex 2 is a superior electrode material with a high effective surface area for the electrochemical oxidation of DPM, according to the electrochemical response results. The derived sensor had a wide linear detection range of 1 to 1400 μM, an acceptable sensitivity of 0.01531 μA cm-2 μM-1, and a low LOD of 0.38 μM. The proposed approach was free of the interfering effects of ascorbic acid, uric acid, aminophenol, and other substances. During the successive scans, no fouling of the electrode surface was observed. The proposed electrochemical sensor had excellent stability, sensitivity, and a low detection limit making it suitable for the analysis of a variety of real samples. Additionally, it was proven to be useful for analyzing biological fluids.

Electrochemical, photocatalytic and biological investigation of carbaldehyde derived azo dye ligand and its Co(II), Ni(II), Cu(II) complexes

2-[(E)-(3-hydroxypyridin-2-yl)diazenyl]-1H-indole-3-carbaldehyde (HDC) a novel azo dye ligand and its Co(Ⅱ), Ni(Ⅱ) and Cu(Ⅱ) complexes have been prepared. The newly synthesized compounds were characterized by physiochemical techniques. The modified electrode, [Co(HDC)2Cl2]/GCE has been prepared by using the synthesized Co(Ⅱ) complex to check the electrocatalytic properties by cyclic Voltammetric (CV) studies. The biologically important molecule, folic acid present in the solution at different concentration has been detected by CV technique. The sensitivity of [Co(HDC)2Cl2]/GCE was 8.366 μAμM−1cm−2 and the limit of detection (LOD) 6.666 μM/L in the linear range 20–140 μM/L. The oxidation current of folic acid increased potentially with scan rate and the regression found was 0.9961, which indicates surface diffusion-controlled nature of process. The synthesized compounds were also screened for antimicrobial, antioxidant and anticancer activities. All the synthesized compounds gave promising results towards biological activities. The photodegradation of Methylene Blue dye was studied under visible light and in the presence of metal complexes to determine the catalytic efficiency of the synthesized metal complexes. The results indicated that the [Co(HDC)2Cl2] exhibited excellent results when compared to [Ni(HDC)2Cl2] and [Cu(HDC)2Cl2] complexes.

Pyrrolopyrimidinehydrazide‐2‐chlorobenzaldehyde Metal Complexes: Synthesis, Characterization, and Extraordinary Exploration Through in Vitro, in Vivo Cytotoxicity, and Cutting‐Edge Computational Analyses

ABSTRACTThis study reports the successful synthesis and characterization of five novel metal complexes (1–5) derived from the pyrrolopyrimidinehydrazide‐2‐chlorobenzaldehyde ligand, HPPHoCBA (L). The metal complexes demonstrated non‐electrolytic behavior and distinct geometries, as confirmed through comprehensive physicochemical analyses. Importantly, the synthesized complexes exhibited significantly enhanced antimicrobial, antioxidant, and cytotoxic activities compared to the ligand HPPHoCBA (L). Molecular docking studies revealed superior binding affinities of Pd(II) (1) and Cd(II) (4) complexes, which were further substantiated by pharmacophore modeling. Additionally, density functional theory (DFT) and molecular electrostatic potential (MEP) analyses provided insights into the stability and reactivity of these complexes, suggesting their potential in future therapeutic applications. These findings underscore the potential biomedical and industrial applications of the synthesized metal complexes.

Evaluation of Co(II) Schiff base complexes: Catalysis, theoretical and biomolecular interaction studies

Two Schiff base ligands, namely H2L1 [3-(2‑hydroxy-phenylimino)-1,3-dihydro-indole-2-one] and H2L2 [3-(2-mercapto-phenylimino)-1,3-dihydro-indole-2–1], were successfully synthesized. Furthermore, the ligands were subsequently complexed with [CoCl2(PPh3)3] to form CoL1 and CoL2, respectively. The synthesized metal complexes were investigated using FTIR, UV–Visible, and NMR spectroscopic techniques. Catalytic efficiency was evaluated for the oxidation of alcohol and C6H5-H5C6Coupling reactions. DFT study verified the structural parameters of the prepared Co2+ complexes were made reliable. The interaction of Co2+ Schiff base complexes with BSA and DNA were studied using an in-silico docking approach.

Synthesis and some properties of magnesium and zinc tetra-3-(4-bromophenoxy)phthalocyanines

The work describes the synthesis of non-periphery substituted Zn(II), Mg(II) phthalocyanines complexes obtained from 3-(4-bromophenoxy)phthalonitrile. The influence of the metal complex on the spectral and acid-base properties of the obtained compounds was shown. The quantum yield and fluorescence lifetime of the synthesized metal complexes were determined.

Novel hydroxy-tagged bis-dihydrazothiazole derivatives: Synthesis, antimicrobial capacity and formation of some metal chelates with iron, cobalt and zinc ions

Until today, microbialinfectionsepitomize a seriousuniversal health threat. Subsequently, developing a potential antimicrobialprototype remains an urgent, global necessity. Despite several reports discussing the biological utility of some bis-thiazoles, the use of bis-dihydrazothiazoles and their corresponding metal chelates as potent antimicrobials, is yet to be explored. The current report outlines an attempt to fill that void by representing a successful synthesis of a new class of bis-dihydrazothiazoles as well as three of their transition metal chelates and their use as potential antimicrobials. This report presents the design of some novel hydroxy-tagged bis-dihydrazothiazoles 6a-e and bis-dihydrazothiazolones 9a-evia the reaction of a bis-aldehyde thiosemicarbazone 3, as a common synthetic precursor, with two groups of hydrazonoyl halide derivatives 4a-e and 7a-e. The chelation affinity of these novel bis-dihydrazothiazoles to behave as neutral tridentate ligands coordinating to the metal ions; Fe(III), Co(II), or Zn(II) through azomethine-N, thiazole-S, and azo-N atoms to form metal complexes with a metal/ligand ratio of 2:1 was confirmed. In-vitro, antimicrobial screening of the novel hydroxy-tagged bis-dihydrazothiazole derivatives, as well as a selected group of their transition metal chelate complexes [M2L], was inspected, and the data weremeasured incomparisonto those of ketoconazole and gentamycin as antimicrobial reference standards. Most bis-dihydrazothiazoles 6a-e and bis-dihydrazothiazolones 9a-e showed decent to excellent antimicrobial activities against the screened microbes, but the chloro-substituted bis dihydrazothiazole derivatives 6c and 9c showed exceptional inhibition of Bacillus subtilis (20 mm), Escherichia coli (25 mm), and Candida albicans (19 mm), and Salmonella typhimurium (19 mm), respectively. Additionally, amongst the three synthesized metal complexes [M2L], only the zinc complex, [Zn2L] showed remarkable inhibition of both Staphylococcus aureus (21 mm) and Salmonella typhimurium (19 mm) compared to the reference standard Gentamycin, and was more potent than the free ligand, 6a itself (no activity and 11 mm respectively). Antimicrobial inspection was assessed by the agar well diffusion assay method against all bacterial and fungal strains. Magnetic moment, diffused reflectance, FT-IR, 1H NMR, molar conductivity, thermogravimetric analysis (TGA), X-ray diffraction (XRD), and scanning electron microscope(SEM) were among the many techniques used to elucidate the structures of all novel hydroxy-tagged bis-heterocyclic ligands and their metal chelate complexes.

Innovative bis-dihydrazothiazolone derivatives with a 1,4-xylenyl spacer: Design, antimicrobial prospective and construction of several transition metal chelates with iron, cobalt and zinc

Several new xylenyl-spaced bis-dihydrazothiazoles 6a-e and bis-dihydrazothiazolones 9a-e were synthesized by the simple reaction between bis-thiosemicarbazone 3 as a common synthetic scaffold, with two series of hydrazonoyl halides derivatives 4a-e and 7a-d. The chelation ability of these novel bis-dihydrazothiazole derivatives to perform as neutral tridentate ligands and coordinate to transition metal ions; Fe(III), Co(II), or Zn(II) through azomethine-N, thiazole-S, and azo-N atoms to form metal complexes with a metal/ligand ratio of 2:1 was elucidated. Diffused reflectance, magnetic moment, 1HNMR, FT-IR, TGA, and molar conductivity, were used to interpret the structures of all new xylenyl-spaced bis-heterocyclic compounds and their metal chelates. In-vitro, antibacterial and antiviral screening of these innovative xylenyl-spaced bis-dihydrazothiazole derivatives, as well as a selected group of their transition metal chelate complexes [M2L], were inspected, and the data was evaluated in comparison to those of Ketoconazole and Gentamycin as antimicrobial control standards using the agar well diffusion assay protocol against a selected group of fungal and bacterial species. Several compounds displayed respectable to great antimicrobial behavior against the examined microbial species. Bis-dihydrazothiazole 6c, particularly, showed exceptional inhibition of both C. albicans and E. coli. However, bis-dihydrazothiazolone 9b showed excellent inhibition of A. fumigatus. Additionally, amongst the three synthesized metal complexes [M2L], only the zinc complex, [Zn2L] showed remarkable inhibition of both C. albicans and S. typhimurium and was even more potent than the free ligand, 9a itself.

3’-Methyl-4-thio-1H-tetrahydropyranspiro-5’-hydantoin platinum complex as a novel deoxyribonuclease I inhibitor

Deoxyribonuclease I (DNase I) is one of the main nucleases involved in deoxyribonucleic acid (DNA) degradation during apoptosis. It catalyzes the hydrolytic cleavage of DNA, producing 5‘-oligonucleotides. The inhibition of DNase I may serve as an important mechanism for protecting DNA against premature degradation during cell damage. Fourteen hydantoin-containing compounds, including two newly synthesized and seven previously synthesized metal complexes, along with five previously synthesized hydantoin ligands, were evaluated in vitro for their inhibitory properties against bovine pancreatic DNase I. As a result, the 3’-methyl-4-thio-1H-tetrahydropyranspiro-5’-hydantoin platinum complex (8) inhibited the enzyme with an IC50 value of 110.20 ± 24.20 µM, a potency 3-fold greater than that of the reference crystal violet (IC50 = 378.27 ± 47.75 µM). To understand the binding mode and mechanism of inhibition of compound 8 with DNase I, molecular docking calculations were performed. The analysis revealed that compound 8 interacts with the most important catalytic residues of DNase I. To the best of our knowledge, this is the first report of a platinum complex inhibiting DNase I.

ISONICOTINOHYDRAZIDE DERIVED SCHIFF BASE–TRANSITION METAL COMPLEXES: STRUCTURE WITH BIOLOGICAL ACTIVITY

resistance is increasingly becoming a prominent global public health and developmental concern. The primary aim of this study is to synthesize metal complexes with superior antimicrobial properties. Methods: The Schiff base ligand (E)-N'-(1-thiophen-2-yl) ethylidene isonicotinohydrazide was synthesized by reacting isonicotinohydrazide (INH) with 2-acetylthiophene. This Schiff base was utilized to synthesize metal complexes with copper (II), nickel (II), and cobalt (II) ions via the reflux method. The ligand and metal complexes were characterized using various physicochemical techniques, including elemental analysis, conduct metric studies, magnetic susceptibility, FT‐IR, 1H NMR, ESI-MS, and electronic spectral analysis. Results: All complexes were successfully characterized. The Ni-complex demonstrated the highest cytotoxicity in the brine shrimp lethality bioassay compared to the Cu and Co-complexes. The Ni and Cu-complexes exhibited greater antibacterial efficacy against all bacteria, while the Co-complex showed no activity. Conclusion: The newly synthesized complexes proved to be highly stable, displaying significant antimicrobial potential. These findings suggest that future modifications to this synthesized series could address specific pharmaceutical needs.

Synthesis, structure, fluorescence, and magnetic studies of a series of transition metal complexes with oxygen-bridged phenylene tricarboxylic acid ligand

In this work, 4-(2-carboxyphenoxy)phthalic acid ligand (H3bppa), 4,4′-dipyridyl (4,4′-dipy), 1,10-phenanthroline (phen), 2,2′-dipyridyl (2,2′-dipy) and transition metal ions Zn2+, Cu2+, Mn2+, Ni2+, Co2+ were used to synthesize metal complexes by solvothermal reaction. Ten complexes were synthesized, namely, [Zn(H2bppa)2(H2O)4]·4H2O (1), [Mn(H2bppa)2(H2O)4]·4H2O (2), [Co(H2bppa)2(H2O)4]·4H2O (3), [Mn(H2bppa)2 (2,2′-dipy) (H2O)]n (4), [Cu(H2bppa)2 (2,2′-dipy) (H2O)]n (5), [Mn3(bppa)2(4,4′-dipy)2 (H2O)6]n (6), [Co(Hbppa) (phen)2 (H2O)] (7) and [Ni(Hbppa) (phen)2 (H2O)] (8), [Mn(Hbppa) (phen) (H2O)]n (9), [Cu(Hbppa) (phen) (H2O)]n (10). Structural datas were collected by X-ray single crystal diffractometer, the results show that complexes 1, 2, 3, 7 and 8 are zero-dimensional mononuclear structure, 4, 5, 9 and 10 are one-dimensional chain structure, 6 is three-dimensional network structure. Furthermore, solid state fluorescence properties were performed on complexes H3bppa and 1–8, magnetic properties were performed on complexes 2–8. The fluorescence experiment results show that the fluorescence intensity of complexes 1–8 is weaker than that of H3bppa, and the fluorescence emission spectrum of complex 1 undergoes a blue shift relative to the H3bppa. Magnetic testing data analysis shows that complexes 2, 3 and 8 have antiferromagentic properties and complexes 4, 5, 6 and 7 have ferromagentic properties.

Barbituric acid‐derived azo dye metal complexes: Synthesis, characterization, DFT, and antimicrobial analysis

Two novel metal complexes, C1 and C2, were synthesized through the reaction of an azo dye ligand, obtained by coupling 4‐chloroaniline with 1,3‐dimethyl barbituric acid. The structure of the ligand was confirmed using Fourier‐transform infrared spectroscopy (FTIR) and Nuclear magnetic resonance (NMR). UV–Vis spectroscopy was employed to assess the ligand's sensing ability toward six different metal ions. Comprehensive characterization of the synthesized metal complexes was conducted using elemental analysis, X‐ray photoelectron spectroscopy (XPS), thermogravimetric analysis–difference thermogravimetry (TGA‐DTG), FTIR, UV–Vis spectroscopy, electron paramagnetic resonance (EPR) spectroscopy, and single‐crystal X‐ray diffraction (SC‐XRD). X‐ray analysis revealed octahedral coordination geometry with a 2:1 ligand‐to‐metal ratio and dimethylformamide (DMF) coordination with the metal atom in both complexes. Hirshfeld analysis and 2D fingerprint plots were employed to investigate supramolecular and intermolecular interactions within the crystal system. Density functional theory (DFT/B3LYP) calculations were utilized to compute energy gaps and other important theoretical features. Sensing experiments with tetrabutylammonium fluoride (TBAF) were conducted at a concentration of 1 × 10−5 M. Furthermore, the bioactivity of the synthesized metal complexes and ligand L was evaluated through molecular docking studies against Protein Data Bank (PDB IDs) 4XUY (Staphylococcus aureus) and 3BQW (Aspergillus niger). Also, antimicrobial activity was assessed using the agar well diffusion technique, revealing that complexes C1 and C2 exhibited enhanced antimicrobial activities against the tested organisms compared to the parent azo dye ligand. The computational and experimental bioactivity data are in good agreement with each other.

Synthesis, characterization, and antimicrobial activity of metal complexes derived from Schiff base of quercetin extracted from Origanum vulgare L.

Origanum vulgare L. is a rich source of phenolic compounds, among which quercetin exhibits remarkable antioxidant properties capable of scavenging free radicals. In this study, we synthesized a Schiff base by combining quercetin extracted from Origanum vulgare L. with ethanolamine. The Schiff base was then used as a precursor for the synthesis of five novel metal complexes comprising Cu(II), Ni(II), Zn(II), Fe(II), and Co(II) ions. The structures of both the ligand and the metal complexes were characterized using a diverse range of analytical techniques, including UV–Vis spectroscopy, Fourier-transform infrared spectroscopy (FT-IR), elemental analysis, molar conductivity, proton and carbon nuclear magnetic resonance (1H NMR and 13C NMR), and energy-dispersive X-ray analysis (EDX). The antimicrobial activity of the synthesized metal complexes against Escherichia coli and Pseudomonas aeruginosa bacteria and Candida albicans fungi was evaluated. The results demonstrate that the synthesized metal complexes exhibit promising antimicrobial activity, highlighting their potential as therapeutic agents.

Synthesis, Characterization, and Structural Analysis of Co (II) complex Derived from Aniline Based Schiff Base Ligand

AbstractIt is known that Schiff bases and their metal complexes have many properties in different biological systems and this varies with its structural properties. This paper has described the method for synthesis of Schiff base ligand (SB1) and derived Co (II) complex of this ligand. The synthesized metal complex is characterized by X‐ray diffraction (XRD), field emission scanning electron microscope (FE‐SEM), and Fourier‐transform infrared spectroscopy (FTIR). XRD shows the crystalline state of the complex and Schiff base as well as FE‐SEM shows the surface morphology and FTIR is used to characterize functional groups, bonding types, and nature of complex.

Preliminary study: Potency metal complexes with UV-active ligands as dye sensitizer in Dye Sensitized Solar Cells

The use of metal complexes as a dye sensitizer in DSSC (Dye-Sensitized Solar Cells) provides many promising opportunities. Complex compounds with ligands that actively absorb UV rays have the potential to be applied in technology solar cells in areas rich in UV rays such as Indonesia. This research aim is to investigate the potential of several complex compounds with UV active ligands and apply them as dye sensitizer in DSSC. Ligand phenanthroline (phen), and morin will be synthesized with several transition metals. The synthesized metal complexes were characterized by spectrophotometer UV-VIS (for all metal complexes) and spectrophotometer FTIR (for morin complexes). The performance of metal complexes as dye sensitizer will be analyzed from the current and voltage obtained and in this research was limited to the phenanthroline complex compound because the research was still in the ongoing process. The highest current produced by [Ni(phen)3]2+ with 0.452 mA while the highest voltage produced by complex [Fe(phen)3]2+ with 711 mV.

Designing, Characterization, DFT, Biological Effectiveness, and Molecular Docking Analysis of Novel Fe(III), Co(II), and Cu(II) Complexes Based on 4-Hydroxy-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione.

The main target of the current framework is the designing and synthesizing of novel iron(III), cobalt(II), and cupper(II) complex compounds emanating from bioactive nucleus, 4-hydroxy-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione ligand, to enhance comprehension as potential antibacterial, antifungal, and antioxidant alternatives by means of using DFT calculations and molecular docking investigation. Thus, the new complexes had been synthesized and characterized using various analytical techniques, including elemental analysis, infrared spectroscopy, mass spectrometry, UV spectroscopy, conductivity, and magnetic testing, as well as thermal analysis. The 4-hydroxy-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione ligand exhibits monobasic bidentate OO donor properties toward the metal core, as shown by its infrared spectroscopic characteristics. The use of thermal analysis techniques allows for the identification and characterization of water molecules present inside the complexes, as well as the determination of their distribution patterns. The molecular structures of free ligand and its metal complex compounds have been verified through the use of density functional theory (DFT) simulations. These simulations also provide a valuable understanding of the quantum chemical characteristics associated with these structures. In vitro experiments were conducted to evaluate the antioxidant, antibacterial, as well as antifungal and the properties of the free ligand and its corresponding complex compounds. DATA revealed that synthesized metal complex compounds have heightened biological efficacy as related to the unbound ligand. Furthermore, molecular docking analysis was done to understand the interactions between the studied compounds and proteins derived from Escherichia coli (pdb ID: 2vf5), Aspergillus flavus (pdb ID: 3cku), and humans (pdb ID: 5IJT), which are considered to be significant in drug design. Lastly, a correlation between in vitro efficacies with molecular docking data was done and analyzed.

Pharmaceutical manifestation of Knoevenagel condensed metal (II) complexes through virtual, in vitro and in vivo assessments

Sulphur containing compounds possess a great deal of interest due to wide range of beneficial activities towards biotic species. This work also deals with the study of biological examination of newly synthesized sulphur containing Cu(II) and Zn(II) complexes derived from (E)-4-(phenylimino)-3-((E)-1-(phenylimino)ethyl)pent-2-ene-1-thiol Schiff bases. Moreover, the DNA nuclease efficiency of the synthesized metal complexes is studied by UV absorption studies, Fluorescence studies, Viscosity and CV titrations which confirm the intercalative mode of binding. Pharmacokinetic studies and drug like activity of these compounds are screened with the help of SWISS ADME online freeware. Their morphological nature is corroborated by various spectral techniques. Optimized geometry and biologically accessible nature of the synthesized compounds are investigated by Gaussian 09 W software. Interestingly, molecular docking studies are carried out against cancer DNA and 6J10 cancer cell. Anti–inflammatory and in vitro antioxidant activities have been studied to validate the theoretical prediction. Based on these preliminary pharmacological activities, the in vitro cytotoxicity and in vivo antitumor activities are examined using MCF-7, HeLa, Hep-2, HepG-2 and Ehrlich ascites carcinoma (EAC) cell lines. All the above examinations reveal that the nitro substituted transition metal complexes possess higher biological bustle. Communicated by Ramaswamy H. Sarma

Synthesis and characterization of a novel copper carboxylate complex and a copper complex-coated polyether sulfone membrane for efficient degradation of methylene blue dye under UV irradiation: the single crystal X-ray structure of the copper carboxylate complex.

Synthesis of a novel binuclear Cu(II) carboxylate complex under ambient laboratory conditions is presented. The complex exhibits a paddle wheel structure in which the axial positions are occupied by two copper atoms instead of two water molecules. The synthesized complex was characterized by single-crystal X-ray crystallography, FT-IR, X-ray diffraction, and UV-visible spectroscopy techniques. The thermal stability of the metal complex was studied by the thermogravimetric analysis study. The synthesized metal complex was employed for the synthesis of metal complex-coated polyether sulfone (PES) membranes which were characterized before and after filtration using the FESEM technique. The photocatalytic efficiency of the metal complex was studied for the degradation of methylene blue dye under UV irradiation in the presence of H2O2 and was compared with the photodegradation efficiency of the metal complex-coated polyether sulfone (PES) membrane.

Insight into the synthesis, structure affirmation and catalytic efficiency of divalent and trivalent metal chelates of mandelic acid hydrazone derivative.

The current work reports the synthesis of Cr(iii), Mn(ii), Co(ii), Ni(ii) and Cu(ii) chelates of the Schiff base ligand named hydroxy-phenyl-acetic acid (2-hydroxy-naphthalen-1-ylmethylene)-hydrazide with multi-chelation centre toward metal ions. The spectral tools, 1H-NMR, FTIR, mass, UV-vis spectra, and the analytical elemental and thermal analysis, in addition to magnetic moment and conductivity measurements all combined have been applied to conclude the structure and geometry of the synthesized metal complexes. The formed metal chelates have been assured to be formed with the molar compositions of 1 L : 1 M for PANH-Cr, PANH-Mn, PANH-Co, PANH-Ni and 2 L : 1 M for PANH-Cu. All the complexes have been confirmed to be non-electrolytic except the PANH-Mn and PANH-Ni which are 1 : 1 electrolytes. FTIR spectral analysis assured the ligand to act as mono basic bi or tridentate ligand leading to the formation of octahedral complexes with all metals except Cu(ii) complex which assured to has square planar structure. Except PANH-Cr, all the synthesized metal chelates exhibited phenoxazinone synthase like efficacy with varying activity with dramatically high activity for PANH-Mn complex with TOF number of 169.89 h-1.

Investigation of Coordination Compounds of Gadolinium (III) With b-Diketones

New coordination compounds of gadolinium with -diketones containing unsaturated and aliphatic or aromatic substituents in the -positions of the chelate ring have been synthesized. The performed quantum-chemical calculations of ligand molecules indicate the best acceptor properties of ligands with aromatic substituents. An analysis of the IR spectra and quantum chemical calculations of the metal complexes indicates the bidentate-chelate coordination of the ligand molecules and their arrangement in different planes, regardless of the nature and geometric structure of the substituent in the β-diketone molecule. The energies of the triplet levels of the ligands are calculated. The morphology and dispersion of the synthesized metal complexes have been studied.

Novel bioactive copper and nickel polymeric complexes: Synthesis, characterization, antimicrobial activity, and DFT calculations

AbstractPolymeric complexes, especially metal‐containing polymers, possess aggregated medical applications, especially as antibacterial and antifungal agents. This work describes a facile procedure for producing a series of novel copper and nickel complexes of poly(2‐hydroxyphenyl methacrylamide) and poly(2‐carboxyphenyl methacrylamide). The polymeric ligands were synthesized through a multistep procedure. Firstly, 4‐formylphenyl methacrylate was constructed by acylating 4‐hydroxybenzaldehyde with methacryloyl chloride. Then, polymerization of the as‐prepared monomer to obtain poly(4‐formylphenyl methacrylate) using benzoyl peroxide as an initiator. Thirdly, the polymeric ligands PL1 and PL2 were achieved via exchange reactions between poly(4‐formylphenyl methacrylate) and o‐aminophenol and anthranilic acid, respectively. Consequently, the two ligands were reacted with copper and nickel acetates to afford four target complexes (Cu‐PL1, Ni‐PL1, Cu‐PL2, and Ni‐PL2). By FT‐IR, 1HNMR, UV‐visible, and TGA analyses, the structures of PL1, PL2, and their complexes were investigated. Furthermore, the geometries of PL1, PL2, and their complexes were reported through a molecular modeling to investigate some interesting parameters such as the bond length, bond angle, charge on the atoms, the HOMO and LUMO using the Material Studio program. The calculation results illustrated that octahedral geometries are proposed for the synthesized metal complexes. The reported antimicrobial efficiency showed a strong potency for most synthesized compounds against the selected microbes, especially compounds Cu‐PL1 and Cu‐PL2 which are more effective than the standard against Candida albicans.