Schiff base molecular structure
A binuclear CuII/CaII thiocyanate complex with a Schiff base ligand derived from o vanillin and ammonia
... solve structure: SHELXT (Sheldrick, 2015a); program(s) used to refine structure: SHELXL2016/6 (Sheldrick, 2015b); molecular graphics: OLEX2 (Dolomanov et ...
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Synthesis and Characterization of Novel Schiff base Cu(II) Complexes: Antimicrobial and Molecular docking Studies
... docked structure from the ...Thepdb structure 4s1y [23]of human serum albumin is used for docking studies which plays a key role in increasing the growth and productivity of cells and increases overall cell ...
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Synthesis, spectral characterization, molecular modeling and biological activity of first row transition metal complexes with Schiff base ligand derived from chromone 3 carbaldehyde and o amino benzoic acid
... suggested structure of the metal ...the molecular modeling studies. Biological activity of the Schiff base ligand and its metal complexes were studied and results shows that the activity of ...
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Synthesis, Structural Characterization and Molecular Modeling Studies of New Schiff Base Derived from Hydrazino benzoxazine and Vanillin
... novel Schiff base ligand 3-(2-(4-hydroxy-3-methoxy benzylidene) hydrazinyl)-2H-benzo[b] [1,4]oxazin-2-one (HMB-HBO) was synthesized from Hydrazino benzoxazine and Vanillin and characterized by elemental ...
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Fe(III) Complexes with Schiff base Ligands : Synthesis, Characterization, Antimicrobial Studies
... Modelling: Molecular modeling of the studied complexes reveals minimum energy values associated with the octahedral ...the molecular calculations with Argus lab ...The molecular modelling pictures ...
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Synthesis, molecular docking and biological evaluation of bis-pyrimidine Schiff base derivatives
... bis-pyrimidine Schiff base derivatives targeting the crystal structure of cyclin-dependent kinase 8 using GOLD docking ...The Schiff bases were docked into the active site of cyclin-dependent ...
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Synthesis, Spectroscopic Characterization and Pharmacological Evaluation of Schiff Base molecular Adducts of Copper Metal
... of structure-activity relationships for the different classes of copper (I, II) ...the molecular basis of the mechanisms underlying their antitumor activity are ...
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Co(II), Ni(II), Cu(II) COMPLEXES OF SULPHUR CONTAINING SCHIFF BASE LIGAND SYNTHESIS, SPECTROSCOPIC, MOLECULAR MODELLING AND ANTIMICROBIAL STUDIES
... mechanics, molecular orbital calculations were performed with AM1 (Austin Model 1) approximation for the synthesized ...occupied molecular orbitals (HOMO) and lowest unoccupied molecular orbitals ...
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A Schiff base of 2-((E)-(2-amino-5-methylphenylimino)methyl)- 5-(difluoromethoxy)phenol and its applications on fluorescent chemosensor for selection of Mg2+ ion, molecular docking, and anticancer activity
... In an attempt to understand our compound’s binding mode, the ligand was docked by the Protein Data Bank with the crystal structure of the FGF receptor two kinases [protein data bank (PDB):4J96]. The protein was ...
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Crystal structure, DFT and MEP study of (E) 2 {[(3 chlorophenyl)imino]methyl} 6 methylphenol
... a molecular system (Koepnick et ...occupied molecular orbital), HOMO-1, LUMO (lowest occupied molecular orbital) and LUMO+1 orbitals calculated at the B3LYP/6- 311++G(2d,2p) level (Frisch et ...a ...
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Crystal structure of 4 [(3 methoxy 2 oxidobenzylidene)azaniumyl]benzoic acid methanol monosolvate
... The asymmetric unit of the title compound contains a Schiff base molecule and a methanol molecule of crystallization. In the solid state, the Schiff base molecule (Fig. 1) exists in the ...
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Investigation of Electrochemical Property and Crystal Structure of Schiff Base Cobalt(III) Complex
... Schiff base ligand (L) was prepared according to the method reported by Islam et al. [28] with some modification. 20 mL of N,N′-bis-(2-aminoethyl)ethylenediamine methanol solution (10 mmol) was added to 20 ...
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Amino Acid Derivative of Calix[4]Arene as Schiff Base for Sensing of Copper(II)
... A new amino acid calix[4]arene derivative (5) has been designed, synthesized, characterized with different methods such as HRMS, NMR and FTIR. Our result shows that molecular receptor (5) is more proper for ...
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Synthesis, Characterization of Zirconium and Thorium Schiff Base Complex and its spectral and biological Nature
... Schiff bases are characterized by an imine group –N=CH-, which helps to clarify the mechanism of transamination and racemization reaction in biological system. The mode of action of the compounds may involve ...
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Spectral studies of transition metal complexes with 25, 26 dioxo1,6,12,17,23,24 hexaazacyclohexacosa 1,5,12,16 tetraene macrocyclic ligand (L)
... The XRD spectra have been recorded for all the com- plexes. For all the complexes the value of d is found to be same. This indicates that the complexes have same geometry. Hence on the basis elemental analyses, mag- ...
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The study and synthesis of Group 4 transition metal complexes in Ziegler Natta catalysis
... Preparation of the SLPNDM Type Schiff base ligands and their Hafnium Zirconium Titanium, and complexes with.. Spectroscopic characterisation of the SLPNDM Type Schiff base ligands and th[r] ...
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Synthesis and Structure Determination of Some Schiff Base Metal Complexes with Investigating Antibacterial Activity
... dentate Schiff base ligand L-1 has been prepared and used to synthesize a series of metal [Mg(II), Cu(II), Ni(II), Zn(II)] coordinating complexes ...
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Preparation and Spectroscopic Studies of Some Metal Ion Complexes of 2-((4-Formyl-3-Hydroxynaphthalen-2-yl) Diazenyl) Benzoic Acid Abbas Ali Salih Al-Hamdani | Naser Shaalan | Sahar Sabeeh Hassan | Zainab Abd Al-Hadi Hasan
... probable structure of a metal complexes with ligand were calculated to search for the most probable model building stable structure, these shapes, show the calculated optima geometries for ...
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SYNTHESIS AND CHARACTERIZATION OF TRANSITION METAL COMPLEXES OF PENTADENTATE SCHIFF BASE LIGAND
... Solution of Schiff base (1.046 g, 2 mmol) in 20 mL methanol was added dropwise to triethylamine (0.407 g, 2 mmol) in 10 mL absolute ethanol. This mixture was then added to respective metal salts in 20 mL ...
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Synthesis, Characterization and Biological Activities of Tellurium(IV) Complexes of Bidentate Schiff Base Derived from 5-Chlorosalicylaldehyde and 3-Aminopyridine Gobind Goyat , Anju Malik, Vikas, K. K. Verma, Sapana Garg
... Schiff base and their tellurium(IV) complexes were screened[80] against two Gram-positive bacteria ( S. aureus MTCC 96 and S. pyogenes MTCC 442), two Gram-negative bacteria ( P. aeruginosa MTCC 1688 and E. ...
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