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1.
Bioorg Chem ; 115: 105190, 2021 10.
Artigo em Inglês | MEDLINE | ID: mdl-34371376

RESUMO

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.


Assuntos
Anti-Infecciosos/química , Anti-Infecciosos/farmacologia , Antioxidantes/química , Antioxidantes/farmacologia , Fluconazol/análogos & derivados , Fluconazol/farmacologia , Antibacterianos/química , Antibacterianos/farmacologia , Antifúngicos/química , Antifúngicos/farmacologia , Bactérias/efeitos dos fármacos , Infecções Bacterianas/tratamento farmacológico , Fungos/efeitos dos fármacos , Humanos , Micoses/tratamento farmacológico
2.
Spectrochim Acta A Mol Biomol Spectrosc ; 145: 302-312, 2015 Jun 15.
Artigo em Inglês | MEDLINE | ID: mdl-25795603

RESUMO

The reactions of electron acceptors such as picric acid (HPA) and 7,7',8,8'-tetracyano-p-quinodimethane (TCNQ) with 2-hydroxypyridine (HPyO) have been investigated in EtOH 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 [(H2PyO)(PA)] and [(PyO)(HTCNQ)], 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 in [(H2PyO)(PA)] complex. Another charge transfer interaction was observed in [(PyO)(HTCNQ)] complex. The formation constants (KCT) for the CT-complexes are shown to be strongly dependent on the type and structure of the electron acceptors. Factors affecting the CT-processes and the kinetics of thermal decomposition of the complexes have been studied. The CT complexes were screened for their antibacterial activities against selected bacterial strains.


Assuntos
Antibacterianos/química , Antibacterianos/farmacologia , Elétrons , Nitrilas/química , Picratos/química , Piridonas/química , Bactérias/efeitos dos fármacos , Testes de Sensibilidade Microbiana , Espectroscopia de Prótons por Ressonância Magnética , Espectrofotometria Infravermelho , Temperatura , Termogravimetria
3.
Artigo em Inglês | MEDLINE | ID: mdl-19889573

RESUMO

Two complexes were obtained during the reactions of 6-amino-1-methyl-5-nitrosouracil (AMNU) and 6-methylamino-1-benzyl-5-nitrosouracil (MABNU) with cis-diaquadiamineplatinum(II) nitrate complex, cis-[Pt(NH(3))(2)(H(2)O)(2)](NO(3))(2). The complexes were isolated in good yields as powdery precipitates. They were characterized through their elemental analysis, infrared, UV-vis, and (1)H NMR spectroscopies as well as thermal analyses. The obtained results indicated that, pyrimidine bases substitute easily aqua ligands and interact with Pt(II) ions as a monodentate ligand in the neutral and ionic form for the ligands AMNU and MABNU, respectively. The exocyclic oxygen atoms are the most probable binding site. Square planar structures, cis-form, were proposed in both cases. The free ligands, and their Pt(II) complexes were screened for their antimicrobial activities.


Assuntos
Anti-Infecciosos/química , Cisplatino/química , Anti-Infecciosos/síntese química , Antineoplásicos/síntese química , Antineoplásicos/química , Cisplatino/análogos & derivados , Ligantes , Testes de Sensibilidade Microbiana , Estrutura Molecular , Compostos Nitrosos/química , Análise Espectral/métodos , Termogravimetria , Uracila/análogos & derivados , Uracila/química
4.
Spectrochim Acta A Mol Biomol Spectrosc ; 70(5): 1187-92, 2008 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-18077205

RESUMO

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.


Assuntos
Cério/química , Compostos Organometálicos/química , Piridonas/química , Temperatura , Espectroscopia de Ressonância Magnética , Estrutura Molecular , Espectrofotometria Infravermelho , Vibração
5.
Artigo em Inglês | MEDLINE | ID: mdl-16942911

RESUMO

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.


Assuntos
Aldeídos , Antibacterianos/síntese química , Antifúngicos/síntese química , Furaldeído , Fenilenodiaminas , Compostos de Platina/síntese química , Bases de Schiff/química , Aspergillus/efeitos dos fármacos , Bactérias/efeitos dos fármacos , Candida albicans/efeitos dos fármacos , Ligantes , Testes de Sensibilidade Microbiana , Modelos Moleculares , Saccharomyces cerevisiae/efeitos dos fármacos
6.
Spectrochim Acta A Mol Biomol Spectrosc ; 62(4-5): 814-8, 2005 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-16303628

RESUMO

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.


Assuntos
Compostos Organometálicos/química , Temperatura , Vanadatos/química , Vibração , Análise Diferencial Térmica , Espectrofotometria Infravermelho , Termogravimetria
7.
Spectrochim Acta A Mol Biomol Spectrosc ; 62(1-3): 140-5, 2005 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-16257705

RESUMO

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.


Assuntos
2,2'-Dipiridil/química , Benzoquinonas/química , Picratos/química , Cinética , Espectroscopia de Ressonância Magnética , Modelos Moleculares , Espectrofotometria , Espectrofotometria Infravermelho
8.
Spectrochim Acta A Mol Biomol Spectrosc ; 61(11-12): 2708-12, 2005 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-16043067

RESUMO

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.


Assuntos
Compostos Aza/química , Benzoquinonas/química , Compostos Heterocíclicos com 1 Anel/química , Picratos/química , Elétrons , Espectroscopia de Ressonância Magnética , Estrutura Molecular , Espectrofotometria Infravermelho , Titulometria
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