Structural characterization, surface characteristics and non covalent interactions of a heterocyclic Schiff base: Evaluation of antioxidant potential by UV–visible spectroscopy and DFT

2017 ◽  
Vol 1137 ◽  
pp. 569-580 ◽  
Author(s):  
S. Chithiraikumar ◽  
S. Gandhimathi ◽  
M.A. Neelakantan
Keyword(s):  
Schiff Base ◽  
Structural Characterization ◽  
Surface Characteristics ◽  
Antioxidant Potential ◽  
Visible Spectroscopy ◽  
Non Covalent Interactions ◽  
Uv Visible ◽  
Covalent Interactions

scholarly journals Structural Characterization, Antimicrobial Activity, and In Vitro Cytotoxicity Effect of Black Seed Oil

2019 ◽  
Vol 2019 ◽  
pp. 1-9 ◽  
Author(s):  
Sewara J. Mohammed ◽  
Hassan H. H. Amin ◽  
Shujahadeen B. Aziz ◽  
Aram M. Sha ◽  
Sarwar Hassan ◽  
...  
Keyword(s):  
Antimicrobial Activity ◽  
Structural Characterization ◽  
Seed Oil ◽  
Double Bonds ◽  
Visible Spectroscopy ◽  
Cytotoxic Effects ◽  
Black Seed ◽  
Uv Visible ◽  
Black Seed Oil

This study was aimed to investigate the structure of bioactive components of black seed oil (BSO) and their antimicrobial and cytotoxic effects. Initially, the structural examination was conducted using various spectroscopic techniques, such as FTIR, TLC, and UV-visible spectroscopy, which are important in determining substituents, functional groups, and the presence of conjugated double bonds in BSO. From the FTIR spectra, a variety of sharp, strong, and weak peaks were specified relating to the main components of thymoquinone (TQ), dithymoquinone, thymohydroquinone, and thymol in BSO. The results of UV-visible spectroscopy confirmed the presence of thymoquinone as a major compound, and conjugated double bonds were also found. In addition, qualitative TLC analysis was used to identify thymoquinone from the methanol-extracted layer in BSO, by calculating the retention factor (Rf) value. Furthermore, antimicrobial activity of BSO was studied against various types of bacteria. Strong bacterial inhibitory effects were observed, especially against Bacillus subtilis, with an average inhibition zone of 15.74 mm. Moreover, through the use of the MTT assay in vitro, it was shown that BSO does not exhibit any cytotoxicity towards human peripheral blood mononuclear cells (PBMCs). It was also found from the structural characterization of BSO that the existence of TQ is responsible for potential antibacterial activity without any cytotoxic effects. The main observation of this work is that BSO has antimicrobial activity even against methicillin-resistant Staphylococcus aureus (MRSA).

Diastereomeric Ni(II) Schiff-base cysteine derivatives: non-covalent interactions and redox activity

2021 ◽  
pp. 138537
Author(s):  
Oleg A. Levitskiy ◽  
Olga I. Aglamazova ◽  
Alena V. Dmitrieva ◽  
Tatiana V. Magdesieva
Keyword(s):  
Schiff Base ◽  
Redox Activity ◽  
Non Covalent Interactions ◽  
Covalent Interactions

scholarly journals Interplay of Halogen and Hydrogen Bonding in a Series of Heteroleptic iron(III) Complexes

2021 ◽  
Author(s):  
Raúl Díaz-Torres ◽  
Jorge Echeverría ◽  
Oliver Loveday ◽  
Phimphaka Harding ◽  
David Harding
Keyword(s):  
Molecular Electrostatic Potential ◽  
Crystal Packing ◽  
Halogen Bonds ◽  
Heteroleptic Complexes ◽  
1D Chain ◽  
Nci Analysis ◽  
Non Covalent Interactions ◽  
Uv Visible ◽  
Hammett Parameter ◽  
Covalent Interactions

<div>The influence of the halogen substituent on crystal packing and redox properties is investigated in a series of heteroleptic complexes [Fe(qsal-X)(dipic)]MeOH (qsal-X = 4-halogen-2-[(8-quinolylimino)methyl]phenolate; dipic = 2,6-pyridinedicarboxylate; X = F 1, Cl 2, Br 3 and I 4).</div><div>Compounds 1 and 2 exhibit triclinic symmetry (P1̅), whereas 3 and 4 crystallise in monoclinic P21/n. The crystal packing shows self-sorting of the ligands with - interactions between the qsal-X ligands and overlap of the dipic ligands to form a 1D chain, that is supported by C-H···O interactions. In 1 and 2, the cross-section of the 1D chain is square, while for 3 and 4, it is rectangular. In the former, the dipic ligands interact through C=O··· interactions, while - interactions are found in 3 and 4. Neighbouring chains are connected via - interactions involving the quinoline rings, but their relative position is driven by the preference of 1 and 2, for C-H···X interactions, whereas 3 and 4 form O···X halogen bonds. The nature and topology of the electron density of these interactions have been investigated using molecular electrostatic potential (MEP) mapping, quantum theory of atoms in molecules (QTAIM) and ‘non-covalent interactions’ (NCI) analysis. UV-Visible experiments show MLCT bands associated with the qsal-X ligands, confirming the structure is stable in solution. Electrochemical studies reveal slight tuning of the Fe3+/Fe2+ redox couple showing a linear relationship between E° and the Hammett parameter σp.</div><div><br></div>

scholarly journals Preparation and Characterization of the Schiff Base Ligand (E)- N-(3-nitrobenzylidene) isonicotinohydrazide and its Silver (I) Complex [Ag(NNBIH)2]+

2012 ◽  
Vol 9 (2) ◽  
pp. 191-195
Author(s):  
SHAHRIAR GHAMMAMY ◽  
SAJJAD SEDAGHAT
Keyword(s):  
Thermal Decomposition ◽  
Schiff Base ◽  
Schiff Base Ligand ◽  
Synthesis And Characterization ◽  
Nitrate Salt ◽  
Visible Spectroscopy ◽  
Multistage Processes ◽  
Ft Ir ◽  
Uv Visible

We describe the synthesis and characterization of a new silver (I) complex of the Schiff base ligand (E) - N-(3-nitrobenzylidene) is onicotinohydrazide that abbreviated as NNBIH was synthesized and characterized. Ag (I) Metal complex of this Schiff base ligand prepared by reaction of nitrate salt of Ag (I) with NNBIH. Characterization of the ligand was made by microanalyses, FT-IR, UV–Visible spectroscopy and its complex was made by microanalyses, FT-IR and UV–Visible spectroscopy. TG- DTA and other analytical methods have been applied to the investigation of the thermal behavior and Structure of the compound [Ag(NNBIH)2]+. Thermal decomposition of these compounds is multistage processes.

A combined experimental and computational study of supramolecular assemblies in ternary copper(ii) complexes with a tetradentate N4donor Schiff base and halides

RSC Advances ◽  
2014 ◽  
Vol 4 (102) ◽  
pp. 58643-58651 ◽  
Author(s):  
Anik Bhattacharyya ◽  
Prasanta Kumar Bhaumik ◽  
Antonio Bauzá ◽  
Partha Pratim Jana ◽  
Antonio Frontera ◽  
...  
Keyword(s):  
Schiff Base ◽  
Dft Calculations ◽  
Computational Study ◽  
Supramolecular Assemblies ◽  
Schiff Base Complexes ◽  
Molecular Networks ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Three new copper(ii) Schiff base complexes have been prepared and characterized. DFT calculations were employed to estimate the contribution of different non-covalent interactions in the extended supra-molecular networks.

scholarly journals Syntheses, Structures, and Catalytic Hydrocarbon Oxidation Properties of N-Heterocycle-Sulfonated Schiff Base Copper(II) Complexes

Inorganics ◽  
2019 ◽  
Vol 7 (2) ◽  
pp. 17 ◽  
Author(s):  
Susanta Hazra ◽  
Bruno G. M. Rocha ◽  
M. Fátima C. Guedes da Silva ◽  
Anirban Karmakar ◽  
Armando J. L. Pombeiro
Keyword(s):  
Schiff Base ◽  
Catalytic Reactions ◽  
Benzenesulfonic Acid ◽  
Double Chain ◽  
Mild Conditions ◽  
Polymeric Networks ◽  
1D Chain ◽  
Non Covalent Interactions ◽  
Oxidation Properties ◽  
Covalent Interactions

Reaction of the o-[(o-hydroxyphenyl)methylideneamino]benzenesulfonic acid (H2L) (1) with CuCl2·2H2O in the presence of pyridine (py) leads to [Cu(L)(py)(EtOH)] (2) which, upon further reaction with 2,2’-bipyridine (bipy), pyrazine (pyr), or piperazine (pip), forms [Cu(L)(bipy)]·MeOH (3), [Cu2(L)2(μ-pyr)(MeOH)2] (4), or [Cu2(L)2(μ-pip)(MeOH)2] (5), respectively. The Schiff base (1) and the metal complexes (2–5) are stabilized by a number of non-covalent interactions to form interesting H-bonded multidimensional polymeric networks (except 3), such as zigzag 1D chain (in 1), linear 1D chain (in 2), hacksaw double chain 1D (in 4) and 2D motifs (in 5). These copper(II) complexes (2–5) catalyze the peroxidative oxidation of cyclic hydrocarbons (cyclooctane, cyclohexane, and cyclohexene) to the corresponding products (alcohol and ketone from alkane; alcohols, ketone, and epoxide from alkene), under mild conditions. For the oxidation of cyclooctane with hydrogen peroxide as oxidant, used as a model reaction, the best yields were generally achieved for complex 3 in the absence of any promoter (20%) or in the presence of py or HNO3 (26% or 30%, respectively), whereas 2 displayed the highest catalytic activity in the presence of HNO3 (35%). While the catalytic reactions were significantly faster with py, the best product yields were achieved with the acidic additive.

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