Search Results - "Philip, Jessica Elizabeth"
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Two adamantan-1-amine-based scaffolds: Synthesis, crystallographic synthons, TD/DFT calculations, in-depth molecular docking/ADME/T simulations, and shedding light on antibacterial/fungal activities
Published in Results in Chemistry (01-12-2023)“…This work synthesized and structurally characterized the two adamantan-1-amine-based compounds, C10H18N2O3 (1) and C21H23NO (2), reacting with…”
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Reinvigorate the synthesis, spectroscopic findings, SEM morphology investigation, and antimicrobial silhouette of contemporary Salen ligands: A comprehensive DFT landscape
Published in Results in Chemistry (01-01-2022)“…[Display omitted] •Trendy Salen ligands were synthesized and structurally characterized.•Molecular geometry was optimized using B3LYP, HF, and M062X…”
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In-situ Salen-type ligand formation-driven of a heterometallic Cu(II)-Hg(II) complex: Synthetic update, crystallographic features, DFT calculations, and unveil antimicrobial profiles
Published in Inorganic chemistry communications (01-02-2024)“…[Display omitted] •6-Bromo-2-hydroxy-3-methoxybenzaldehyde involving Cu(II)-Hg(II) complex, was synthesized.•HSA, ESP, Fukui function, NLO, and Global…”
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Synthesis, spectroscopic findings, SEM/EDX, DFT, and single-crystal structure of Hg/Pb/Cu–SCN complexes: In silico ADME/T profiling and promising antibacterial activities
Published in Heliyon (01-05-2023)“…This work contemplates synthesizing M-SCN crystal compounds (M = Hg/Pb/Cu) in the presence of respective metal salts and exogenous ancillary SCN− ion by slowly…”
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Supramolecular clumps of μ2-1,3-acetate bridges of Cd(II)-Salen complex: Synthesis, spectroscopic characterization, crystal structure, DFT quantization's, and antifungal photodynamic therapy
Published in Heliyon (15-05-2024)“…The article divulges the crystal growth, synthesis, and X-ray structure characterization of one centrosymmetric cadmium complex, [Cd{CdL(μ2-1,3-acetate)}2]…”
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Synthesis, characterization, crystallographic aspects, Fukui function, and photodynamic antifungal chemotherapy investigation of Cd(II)-tricyanomethanide coordination polymer: Insights from DFT
Published in Inorganic chemistry communications (01-09-2023)“…[Display omitted] •[Cd(TCM)2]n coordination polymer was synthesized in situ and X-ray characterized.•Complex molecular geometry was optimized using B3LYP, HF,…”
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Experimental and theoretical corroboration of antimicrobial and anticancer activities of two pseudohalides induced structurally diverse Cd (II)-Salen complexes
Published in Journal of molecular structure (05-02-2021)“…•Two tetranuclear Cd (II)-Salen complexes have been synthesized and described.•Single-crystal X-rays reveal remarkable structural diversity.•Antibacterial and…”
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Metal based biologically active compounds: Design, synthesis, DNA binding and antidiabetic activity of 6-methyl-3-formyl chromone derived hydrazones and their metal (II) complexes
Published in Journal of photochemistry and photobiology. B, Biology (01-10-2017)“…Two chromone hydrazone ligands HL1 and HL2 were synthesized and characterized by elemental analyses, IR, 1H NMR &13C NMR, electronic absorption and mass…”
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Dicyanamide Anion Protracted Assemblies of Cd(II)-Salen Type Coordination Polymers: Synthetic Perspective, Characterization, Crystallographic Notability, DFT Overview, and Biological Appraisal
Published in Journal of inorganic and organometallic polymers and materials (12-08-2024)Get full text
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Synthesis, characterization and biological studies of Schiff bases derived from heterocyclic moiety
Published in Bioorganic chemistry (01-02-2017)“…A series of novel heterocyclic Schiff bases were synthesized and characterized by spectral studies. Heterocyclic Schiff bases, which constitute the building…”
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Unravelling the Synthetic Mimic, Spectroscopic Insights, and Supramolecular Crystal Engineering of an Innovative Heteronuclear Pb(II)-Salen Cocrystal: An Integrated DFT, QTAIM/NCI Plot, NLO, Molecular Docking/PLIP, and Antibacterial Appraisal
Published in Journal of inorganic and organometallic polymers and materials (01-11-2022)“…Spontaneous self-assembly in the supramolecular entity is one of the enthralling synthetic routes. It produces disparate structure crystal complexes after…”
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Design, synthesis, antimicrobial and antioxidant activity of 3-formyl chromone hydrazone and their metal (II) complexes
Published in Inorganica Chimica Acta (01-01-2018)“…[Display omitted] •A tridentate chromone hydrazone ligand was synthesized.•Nickel, Copper, Zinc (II) complexes were synthesized and characterized by spectral…”
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Supramolecular clumps of μ 2 -1,3-acetate bridges of Cd(II)-Salen complex: Synthesis, spectroscopic characterization, crystal structure, DFT quantization's, and antifungal photodynamic therapy
Published in Heliyon (15-05-2024)“…The article divulges the crystal growth, synthesis, and X-ray structure characterization of one centrosymmetric cadmium complex, [Cd{CdL(μ -1,3-acetate)} ]…”
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Novel class of mononuclear 2-methoxy-4-chromanones ligated Cu (II), Zn (II), Ni (II) complexes: synthesis, characterisation and biological studies
Published in Inorganica Chimica Acta (01-06-2018)“…Two new 2-methoxy-4-chromanones and six novel mononuclear metal complexes were synthesized and characterized. Ligands were found to bind bidentatively and…”
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