Yazar "Karabulut, Sedat" için listeleme
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Aminlerle açilklorürlerin reaksiyonlarının incelenmesi
Karabulut, Sedat (Balıkesir Üniversitesi Fen Bilimleri Enstitüsü, 2006)Bu çalışmada aminlerin (2,6-diaminopiridin, 2-aminofenol, 3-aminofenol), açilklorürlerle (4-klorbenzoilklorür, 4-metoksibenzoilklorür, asetilklorür) reaksiyonları incelenmiş ve elde edilen ürünler saflaştırılarak karakterize ... -
Anomeric and rotameric preferences of glucopyranose in vacuo, water and organic solvents
Karabulut, Sedat; Leszczynski, Jerzy (Springer, 2013)Glucopyranose is the most stable form of glucose in solution. Identification of molecular structure of glucopyranose is very important because of its biological and synthetic significance; it is not an easy task because ... -
Bazı altı karbonlu monosakkaritlerin anomer miktarlarının çözelti ortamında deneysel ve hesapsal yöntemlerle tespit edilmesi
Uysal, Devran (Balıkesir Üniversitesi Fen Bilimleri Enstitüsü, 2015)Monosakkaritler canlılık için büyük öneme sahiptir ve bu bileşik sınıfının biyokimyasal reaksiyonlarının çoğu su içerisinde gerçekleşmektedir. Monosakkaritler suda çözündüğünde çok çeşitli izomerik yapılara dönüşmekte ve ... -
Bazı düz zincirli imitlerin sentezi, imitlerin ve 1,3-Dikarbonil bileşiklerinin tautomer oranlarının deneysel ve hesapsal olarak incelenmesi
Karabulut, Sedat (Balıkesir Üniversitesi Fen Bilimleri Enstitüsü, 2011)Bu çalışmada bir dizi imit (diasetamit, N-formilbenzamit, glutarimit, süksinimit) ve 1,3-dikarbonil (asetilaseton, dimedon, 1,3-indandion) bileşiğinin farklı çözücüler içerisinde oluşturdukları dimer, rotamer ve tautomer ... -
Bioaktif metal komplekslerinin moleküler modelleme teknikleri ile tasarlanarak sentezlenmesi
Eriş, Şükrü (Balıkesir Üniversitesi Fen Bilimleri Enstitüsü, 2016)Yapısında karbon azot çifte bağı (C=N) bulunduran organik bileşikler schiff bazı olarak adlandırılırlar. Schiff bazları biyolojik aktiviteleri nedeniyle üzerinde çok çalışılan ve kullanım alanları çok geniş olan bileşiklerdir. ... -
Combining ab initio calculations and Fourier-transform infrared (FT-IR) spectroscopy for quantitative analysis of multicomponent systems in solution: Tautomer proportions of ethyl acetoacetate
Karabulut, Sedat; Leszczynski, Jerzy (Elsevier Science Bv, 2014)A quantitative analysis method, combined experimental computational approach (CECA), has been developed and applied for the detection of tautomer ratios of ethyl acetoacetate (eaa) in three organic solvents (acetonitrile, ... -
Detection of relative dimer and rotamer concentrations of diacetamide in different solvents by FT-IR spectroscopy and DFT calculations
Karabulut, Sedat; Namlı, Hilmi; Mella, Massimo (Elsevier Science Bv, 2011)The relative rotamer, dimer and tautomer concentrations of diacetamide have been studied by means of infrared spectroscopy, with the recorded spectra being analyzed employing results from density functional theory calculations. ... -
Detection of tautomer proportions of dimedone in solution: A new approach based on theoretical and FT-IR viewpoint
Karabulut, Sedat; Namlı, Hilmi; Leszczynski, Jerzy (Springer, 2013)Molecular structures of stable tautomers of dimedone [5,5-dimethyl-cyclohexane-1,3-dione (1) and 3-hydroxy-5,5-dimethylcyclohex-2-enone (2)] were optimized and vibrational frequencies were calculated in five different ... -
A DFT-based QSAR study on inhibition of human dihydrofolate reductase
Karabulut, Sedat; Sizochenko, Natalia; Orhan, Adnan; Leszczynski, Jerzy (Elsevier Science Inc, 2016)Diaminopyrimidine derivatives are frequently used as inhibitors of human dihydrofolate reductase, for example in treatment of patients whose immune system are affected by human immunodeficiency virus. Forty-seven dicyclic ... -
Experimental and theoretical investigation of a novel mononuclear copper(II) azido compound with tridentate (NNO) schiff base
Karahan, Ahmet; Karabulut, Sedat; Kurtaran, Raif; Leszczynski, Jerzy (Elsevier Science BV, 2015)The tridentate (NNO) Schiff base (HL), has been prepared by the condensation of 2-(aminomethyl)pyridine with 5-chloro-salicylaldehyde. The mononuclear [N-(2-pyridylmethyl)-3-chloro-salicylaldiminato] (azido) copper(II) ... -
An FT-IR and DFT based new approach for the detection of tautomer proportions in solution
Karabulut, Sedat; Namlı, Hilmi (Elsevier Science Bv, 2012)Tautomer proportions of acetylacetone (acac) in six different solvents are investigated with a new method by means of experimental absorptions (A) and theoretical absorption coefficients (e). The specific absorption bands ... -
Modeling the intermolecular interactions: Molecular structure of N-3-hydroxyphenyl-4-methoxybenzamide
Karabulut, Sedat; Namlı, Hilmi; Kurtaran, Raif; Yıldırım, Leyla Tatar; Leszczynski, Jerzy (Elsevier Science Inc, 2014)The title compound, N-3-hydroxyphenyl-4-methoxybenzamide (3) was prepared by the acylation reaction of 3-aminophenol (1) and 4-metoxybenzoylchloride (2) in THF and characterized by H-1 NMR, C-13 NMR and elemental analysis. ... -
Molecular structure of aurothioglucose: a comprehensive computational study
Karabulut, Sedat; Leszczynski, Jerzy (Pergamon-Elsevier Science Ltd, 2015)In order to investigate the molecular structure of aurothioglucose (ATG), six stable, well-known conformations of glucopyranose (Gp) have been computed and compared with Gp, thioglucopyranose (TGp), monomeric aurothioglucose ... -
A new hybrid (experimental-theoretical) quantitative method for detection of relative anomer concentrations in water
Karabulut, Sedat; Uysal, Devran; Leszczynski, Jerzy (Springer, 2016)A novel and inexpensive hybrid (combined experimental and theoretical) approach was used to quantitatively identify anomer proportions of d-glucose, d-galactose and d-mannose in water. The study involves three parts: ... -
Nükleobazlar ve nükleositlerde tautomer kararlılığının moleküler modelleme yöntemleriyle belirlenmesi ve mutasyon etkisinin araştırılması
Çelik, Yunus (Balıkesir Üniversitesi Fen Bilimleri Enstitüsü, 2016)DNA bir dizi organik molekülün kendine has kurallarla bir araya gelmesi ile oluşan ve canlı sistemlerde başta kalıtsal bilginin aktarılması olmak üzere bir çok hayati faaliyetin yönetilmesinden sorumlu bir makro-organik ... -
Reduction of Aflatoxin B1 To Aflatoxicol: A Comprehensive DFT Study Provides Clues To İts Toxicity
Karabulut, Sedat; Paytakov, Guvanchmyrat; Leszczynski, Jerzy (Wiley-Blackwell, 2014)BACKGROUNDAflatoxicol (AFL) is one of most the important metabolites of aflatoxin B1 (AFB1). AFL can be formed through enzymatic or synthetic reduction of AFB1. Various experimental and theoretical studies have been focused ... -
Supramolecular lead(II) azide complex of 2,6-diacetylpyridine dihydrazone: Synthesis, molecular structure, and biological activity
Kazak, Canan; Arslan, N. Burcu; Karabulut, Sedat; Azaz, Ayşe Dilek; Namlı, Hilmi; Kurtaran, Raif (Taylor & Francis Ltd, 2009)The complex of 2,6-diacetylpyridinedihydrazone (L) with lead(II) and azide has been characterized by elemental analyses, FTIR, and single-crystal X-ray analysis. The Pb(C9H13N11) (1) crystallized in the monoclinic space ... -
Synthesis, characterization, crystal structure and biological activity of the cobalt(IV) complex of 2,6-diacetylpyridine dioxime: [Co(dapdo)(2)]
Namlı, Hilmi; Azaz, Ayşe Dilek; Karabulut, Sedat; Çelen, Selma; Kurtaran, Raif; Kazak, Canan (Springer, 2007)The cobalt(IV) complex of 2,6-diacetylpyridine dioxime (dapdoH(2)) was prepared and characterized by X-ray diffraction, elemental analysis and FT-IR. The titled complex was found to crystallize in the orthorhombic space ...
