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1.
Bioorg Chem ; 115: 105190, 2021 10.
Article in English | MEDLINE | ID: mdl-34371376

ABSTRACT

Charge transfer complexes developed during the interaction of Fluconazole drug (FLU) as an electron donor with different types of electron acceptors, including σ-type as iodine (I2), and π-types as 2,3-dinitrosalsylic acid (HDNS), Tetracyanoethylene (TCNE) and 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ). The formed complexes were characterized using various techniques as UV-Vis spectra, Thermal analyses, spectrophotometric measurements, 1H NMR and FTIR Spectroscopy. It was found that the stoichiometry of all developed complexes was a 1:1 M ratio between fluconazole and acceptors (I2, HDNS, TCNE and DDQ). The characteristic physical parameters data such as ionization potential (ID), The oscillator strength (ƒ), formation constant (KCT), transition dipole moment (µ), free energy (ΔG), and energy of interaction (ECT) of the formed CT-complexes have also been reported. Eventually, the synthesized complexes were screened for their microbial and antioxidant activities.


Subject(s)
Anti-Infective Agents/chemistry , Anti-Infective Agents/pharmacology , Antioxidants/chemistry , Antioxidants/pharmacology , Fluconazole/analogs & derivatives , Fluconazole/pharmacology , Anti-Bacterial Agents/chemistry , Anti-Bacterial Agents/pharmacology , Antifungal Agents/chemistry , Antifungal Agents/pharmacology , Bacteria/drug effects , Bacterial Infections/drug therapy , Fungi/drug effects , Humans , Mycoses/drug therapy
2.
Spectrochim Acta A Mol Biomol Spectrosc ; 70(5): 1187-92, 2008 Oct.
Article in English | MEDLINE | ID: mdl-18077205

ABSTRACT

The synthesis of Ce(IV) complexes [Ce(sac)2(SO4)(H2O)4] (1) and [Ce(sac)2 (SO4)(PyOH)2] (2) (sac=saccharinate, PyOH=2-hydroxypyridine) starting with sodium saccharinate is described. Their vibrational and nuclear magnetic resonance (1H, 13C) spectra as well as their thermal mode of degradation were investigated. The data indicate that sac in complex 1 behaves as a monodentate ligand through the nitrogen atoms. Saccharinato ligand in complex 2 shows different mode of coordination, where it behaves as tridentate and binds Ce(IV) through its carbonylic oxygen, nitrogen and sulphonylic oxygen atoms. The most probable structure in complex 2 is that, units of [Ce(sac)2(SO4)(PyOH)2] are linked by bridges of the O- of sac sulphonyl leading to polymeric chains.


Subject(s)
Cerium/chemistry , Organometallic Compounds/chemistry , Pyridones/chemistry , Temperature , Magnetic Resonance Spectroscopy , Molecular Structure , Spectrophotometry, Infrared , Vibration
3.
Article in English | MEDLINE | ID: mdl-16942911

ABSTRACT

Four platinum(II) complexes of Schiff bases derived from salicylaldehyde and 2-furaldehyde with o- and p-phenylenediamine were reported and characterized based on their elemental analyses, IR and UV-vis spectroscopy and thermal analyses (TGA). The complexes were found to have the general formula [Pt(L)(H(2)O)(2)]Cl(2) x nH(2)O (where n=0 for complexes 1, 3, 4; n=1 for complex 2. The data obtained show that Schiff bases were interacted with Pt(II) ions in the neutral form as a bidentate ligand and the oxygens rather than the nitrogens are the most probable coordination sites. Square planar geometrical structure with two coordinated water molecules were proposed for all complexes The free ligands, and their metal complexes were screened for their antimicrobial activities against the following bacterial species: E. coli, B. subtilis, P. aereuguinosa, S. aureus; fungus A. niger, A. fluves; and the yeasts C. albican, S. cervisiea. The activity data show that the platinum(II) complexes are more potent antimicrobials than the parent Schiff base ligands against one or more microorganisms.


Subject(s)
Aldehydes , Anti-Bacterial Agents/chemical synthesis , Antifungal Agents/chemical synthesis , Furaldehyde , Phenylenediamines , Platinum Compounds/chemical synthesis , Schiff Bases/chemistry , Aspergillus/drug effects , Bacteria/drug effects , Candida albicans/drug effects , Ligands , Microbial Sensitivity Tests , Models, Molecular , Saccharomyces cerevisiae/drug effects
4.
Spectrochim Acta A Mol Biomol Spectrosc ; 62(1-3): 140-5, 2005 Nov.
Article in English | MEDLINE | ID: mdl-16257705

ABSTRACT

Charge-transfer (CT) complexes formed on the reaction of 2,2'-bipyridine with some acceptors such as picric acid (HPA) and chloranilic acid (H(2)CA) have been studied in CHCl(3) and MeOH at room temperature. Based on elemental analysis and IR spectra of the solid CT complexes along with the photometric titration curves for the reactions, the data obtained indicate the formation of 1:1 charge-transfer complexes [(bpyH)(PA)] and [(bpyH(2))(CA)], respectively. The infrared and (1)H NMR spectroscopic data indicate a charge-transfer interaction associated with a proton migration from the acceptor to the donor followed by intramolecular hydrogen bonding. The formation constants (K(C)) for the complexes were shown to be dependent on the structure of the electron acceptors used.


Subject(s)
2,2'-Dipyridyl/chemistry , Benzoquinones/chemistry , Picrates/chemistry , Kinetics , Magnetic Resonance Spectroscopy , Models, Molecular , Spectrophotometry , Spectrophotometry, Infrared
5.
Spectrochim Acta A Mol Biomol Spectrosc ; 61(11-12): 2708-12, 2005 Sep.
Article in English | MEDLINE | ID: mdl-16043067

ABSTRACT

The interaction of the mixed oxygen-nitrogen cyclic base, N,N'-dibenzyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (DD18C6) with pi-acceptors such as picric acid (HPA) and 2,3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ) has been studied spectrophotometrically in chloroform at 25 degrees C. The results obtained indicate the formation of 1:4 charge-transfer complexes with the general formula (DD18C6)(acceptor)4. The electronic and infrared spectra of charge-transfer complexes along with the (1)H NMR spectra were recorded and discussed. Based on the data obtained, the complexes were formulated as [(DD18C6H2)(HPA)2](PA)2 and [(DD18C6H2)(DDQ)2](DDQH)2. A general mechanism explaining the formation of the DDQ complex has been suggested.


Subject(s)
Aza Compounds/chemistry , Benzoquinones/chemistry , Heterocyclic Compounds, 1-Ring/chemistry , Picrates/chemistry , Electrons , Magnetic Resonance Spectroscopy , Molecular Structure , Spectrophotometry, Infrared , Titrimetry
6.
Spectrochim Acta A Mol Biomol Spectrosc ; 62(4-5): 814-8, 2005 Dec.
Article in English | MEDLINE | ID: mdl-16303628

ABSTRACT

The infrared spectra of the oxodiperoxo and triperoxo complexes, (NH4)[VO(O2)2(phen)].2H2O and (NH4)[V(O2)3(phen)].2H2O have been recorded and the observed bands are assigned on the basis of Cs symmetry. Thermogravimetric (TG) and differential thermal analysis (DTA) measurements on these two complexes were also carried out. A detailed mechanism for the mode of thermal decomposition of the two complexes has been given and supported by infrared spectral measurements on the thermal decomposition products. The data obtained agree quite well with the expected structure and indicate that the final thermal decomposition product of these two complexes is V2O5.


Subject(s)
Organometallic Compounds/chemistry , Temperature , Vanadates/chemistry , Vibration , Differential Thermal Analysis , Spectrophotometry, Infrared , Thermogravimetry
7.
Spectrochim Acta A Mol Biomol Spectrosc ; 60(13): 3093-100, 2004 Nov.
Article in English | MEDLINE | ID: mdl-15477149

ABSTRACT

Four complexes are obtained during the reactions of 6-amino-1-methyl-5-nitrosouracil and its 6-methylamine derivative with Co(II) and Cu(II) ions. Theses complexes were characterized through their elemental, thermal analysis, infrared and 1H NMR spectroscopes. The obtained results indicate that, the exocyclic oxygen and nitrogen atoms are the most probable binding sites rather than ring nitrogen atoms. For cobalt complexes, the two pyrimidine bases act as bidentate ligands in the anionic form with the dissociation of iminic or N3 proton depending upon the nature of substituents on the pyrimidine ring. For copper complexes, the pyrimidine bases interact in the neutral form as monodentate ligands. Octahedral geometries are proposed for all of these complexes.


Subject(s)
Cobalt/chemistry , Copper/chemistry , Methylamines/chemistry , Nitroso Compounds/chemistry , Uracil/analogs & derivatives , Uracil/chemistry , Magnetic Resonance Spectroscopy , Molecular Structure , Spectrophotometry, Infrared , Water/chemistry
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