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Öğe Synthesis, spectroscopic characterization and density functional studies of a bis-benzimidazole derivative and of its complexes with palladium(II) halides(Elsevier France-Editions Scientifiques Medicales Elsevier, 2014) Aghatabay, Naz Mohammed; Altun, Ahmet; Gurbuz, Mustafa Ulvi; Turkyilmaz, MuratThe 2,6-bis(benzimidazol-2'-ylthiomethyl)pyridine (L) ligand and its palladium(II) complexes [Pd(L)X]X (X=Cl, Br, and I) have been synthesized and characterized by spectroscopic data acquisition. The ligand (L) was prepared by conventional heating as well as by microwave irradiation. Microwave irradiation shows additional features, including an easy workup, a much faster reaction and higher yields. The molar conductivity data reveal that the complexes form a 1:1 electrolyte in DMSO. The geometries, ground-state energetics and vibrational spectra of (L) and of its complexes have been elucidated, in terms of quantum chemical calculations. In the mononuclear complexes, the palladium atom is coordinated to three nitrogen atoms and one terminal halogen atom in a slightly distorted square planar arrangement. The present elemental analyses, FT-IR (mid, far), H-1 and C-13 NMR spectra are in good accordance with the square planar geometry around the Pd ion. The thermal behaviors of the complexes have been assessed by thermal gravimetric and differential thermal analyses. (C) 2013 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved.Öğe Synthesis, structural aspects, antimicrobial activity and ion transport investigation of five new [1+1] condensed cycloheterophane peptides(Springer, 2014) Zaim, Omer; Aghatabay, Naz Mohammed; Gurbuz, Mustafa Ulvi; Baydar, Caglar; Dulger, BasaranFive novel [1+1] condensed cycloheterophane peptides were synthesized via reaction of pyridine-2,6-bis(2-aminothiophenoxymethyl) with several diacid chlorides: glutaryl dichloride, adipoyl dichloride, 2,2'-thiodiacetyl chloride, dithiodiglycoloyl chloride and 3,3'-thiodipropionoyl chloride combinations (L-1-L-5). The compounds were characterized by elemental analyses, mass, FT-IR, H-1, and C-13 NMR spectral data. The antimicrobial activities of the compounds were evaluated using the disk diffusion method in dimethyl sulfoxide as well as the minimal inhibitory concentration dilution method, against several bacteria and yeast cultures. The results were compared with those of commercial antibiotic and antifungal agents. Structure activity relationships were also discussed. Permeability of compound L-5 against Na+ and K+ were also investigated.Öğe Synthesis, structural aspects, antimicrobial activity and ion transportation investigation of four new [2+2] condensed 24-membered cycloheterphane peptides(Springer, 2014) Aghatabay, Naz Mohammed; Parali, Ozge; Zaim, Omer; Baydar, Caglar; Dulger, BasaranFour novel [2 + 2] condensed tetramide-tetrathioether cycloheterophane (L (1) -L (4) ), possessing thioether as ligating units have been prepared. The compounds were characterized by elemental analyses, mass, FT-IR, H-1, and C-13 NMR spectral data. The 24-membered macrocycles have well organized symmetrical structures lacking any configurational isomerism. Ion transportation was carried out with macrocycle L (1) and L (4) against Na+, K+ and Ag+ cations. It showed a high propensity of binding with soft Ag+ cation that it undergoes configurational change during complexation. This phenomenon is not observed with hard cations, but K+ ion passes through the cavity while Na+ ions are retained. The antimicrobial activities of the compounds were evaluated using the disk diffusion method in dimethyl sulfoxide as well as the minimal inhibitory concentration dilution method, against several bacteria and yeast cultures. The results were compared with those of commercial antibiotic and antifungal agents. Structure activity relationships were also discussed.Öğe Synthesis, Structural Aspects, Antimicrobial Activity, and Ion Transport Investigations of Four New [1+1] Condensed 12-Membered Cyclophane Amides(Wiley, 2017) Gurbuez, Mustafa Ulvi; Aghatabay, Naz Mohammed; Karabulut, H. Riza FerhatTwo new diamines (a, b) and their four [1+1] condensed macrocyclic peptides (c-f) were synthesized via dilution method affording the expected dilactams in reasonably high-yield yields. The compounds were characterized by elemental analyses, mass, FT-IR, H-1, and C-13 NMR spectral data. Mass spectra reveal their [1+1] cyclic condensation. The macrocycles having two peptide units in the ring would constitute three configurational isomers: cisoid-cisoid, transoid-transoid, and cisoid-transoid. Their H-1 and C-13 NMR show one signal for each chemically equivalent SCH2 and CONH and could be assigned symmetrical structures lacking any configurational isomerism. The ion transport activity of the compounds (c) and (d) on Na+ and K+ ions were evaluated by CH2Cl2 liquid-liquid membrane method using a U tube system. Slightly higher affinity for potassium than sodium was also observed, which is undoubtedly related to the matching size of the cavity between K+ and cyclic peptides. The antimicrobial and antifungal activities of four macrocyclic amides (c, d, e, and f) were illuminated using disk diffusion method in dimethyl sulfoxide as well as the minimal inhibitory concentration dilution method, against several bacteria and yeast cultures. Comparing all methods, in most cases, the (e) and (f) compound seems to show slightly higher biological activity than the (c) and (d) macrocycles. This may be because of the presence of extra chlorine atoms on the exterior part of the molecules.