Browsing Meslek Yüksekokulları by Author "Kaya,Savaş"
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Adsorption of 40 low molecular weight drugs on pristine and fluorinated C60 fullerenes: Ab initio, statistical and neural networks analysis
Kalika, Elizaveta B.; Bondarev, Nikolay V.; Katin, Konstantin P.; Kochaev, Alexey I.; Grekova, Anastasiya A.; Kaya,Savaş; Bauetdinov, Yusupbek A.; Maslov, Mikhail M. (2023)Loading of 40 small drugs molecules with molecular weights in 47–210 g/mol range consisted of H, C, N, O, F, S elements on C60, C60F2 and C60F48 fullerenes are studied with the density functional theory. Adsorption ... -
Analysis of boronic acids containing amino ferrocene by DFT approach and in silico studies
Muhammad, Usman Sani; Erkan Sultan; Kaya,Savaş (2023)The synthesized (2)-(6) complexes and (2 )-(6 ) hypothetical complexes formed by attached boranic acid esters were optimized at the DFT-B3LYP/GEN level. The structural and spectroscopic properties (IR, 1H NMR , 13C NMR ... -
Anisotropic Carrier Mobility and Spectral Fingerprints of Two- Dimensional γ‑Phosphorus Carbide with Antisite Defects
Katin, Konstantin P.; Maslov, Mikhail M.; Nikitenko, Vladimir R.; Kochaev, Alexey I.; Kaya,Savaş; Prezhdo, Oleg V. (2023)We apply density functional theory to study carrier mobility in a γ-phosphorus carbide monolayer. Although previous calculations predicted high and anisotropic mobility in this material, we show that the mobility can be ... -
Biological evaluation and in silico molecular docking studies of Abies cilicica (Antoine & Kotschy) Carrière) resin
Güçlü,Gülşen; Taş, Ayça; Dinçer, Emine; Uçar, Esra; Kaya,Savaş; Berisha,Avni; Dural, Emrah; Siliğ,Yavuz (ELSEVIER, 15.09.2023)Abies cilicica (Antoine & Kotschy) Carrière) is an endemic species of industrial and medicinal importance. The resin obtained from this plant is effective for different diseases. The chemical content of the ethanol extract ... -
Copper(II) chelates derived from an N,N,O-tridentate 2-pyridinecarboxaldehyde-N 4 -phenylsemicarbazone: Synthesis, spectral aspects, crystal structure, FMO and NBO analysis
Seven novel Cu(II) complexes [Cu(HPySc)Cl 2 ] ( 1 ), [Cu 2 (PySc) 2 (NO 3 ) 2 ] ·H 2 O ( 2 ), [Cu(HPySc)(SO 4 )] ·½H 2 O ( 3 ), [Cu 2 (PySc) 2 (OAc) 2 ] ·CH 3 OH ( 4 ), [Cu 2 (PySc) 2 Br 2 ] ·H 2 O ( 5 ), [Cu(PySc)(NCS)] ... -
Cyclocondensation of 3,4-diaminobenzophenone with glyoxal: Synthesis, X-ray structure, density functional theory calculation and molecular docking studies
Kaya, Yeliz; Kaya,Savaş; Berisha, Avni; Erçağ, Ayşe (2023)7-benzoyl quinoxaline (BQ) was synthesized by the cyclocondensation of 3,4-diaminobenzophenone with glyoxal. BQ was characterized using elemental analysis (C, H, N), FT-IR, 1H NMR and UV–Visible spectral studies. The ... -
Determination of oxidative stability of different vegetable oils by means of middle infrared spectroscopy and DFT calculations
Aktas, Ayse Burcu; Daştan, Taner; Katin, Konstantin P.; Kaya,Savaş (Elsevier, 2023)Oxidative stability is one of the most important quality parameters of vegetable oils. This study aims to determine oxidative stability of five different vegetable oils by means of infrared spectroscopy combined with DFT ... -
Experimental and density functional theoretical analyses on degradation of acid orange 7 via UV irradiation and ultrasound enhanced by fenton process
investigated. Within the scope of the study, individual and different integrated applications of Fenton re- action, photooxidation and sonication were examined. The effects of variables such as H 2 O 2 , Fe 2 + , reaction ... -
Green synthesis of reduced graphene oxide and their use on column adsorption of phenol from olive mill wastewater
Haydari, Imane; Aziz, Khalid; Kaya,Savaş; Daştan, Taner; Ouazzani, Naaila; Mandi, Laila; Aziz, Faissal (2023)A novel reduced graphene oxide (RGO) synthesis using Verbena officinalis as a green, reducing agent was outreaching. RGO was encapsulated in sodium alginate (SA) by cross-linking (SA-RGO beads). SA-RGO beads have been ... -
Incorporation of graphene oxide to metal-free phthalocyanine through hydrogen bonding for optoelectronic applications: An experimental and computational study
This paper focuses on incorporation of graphene oxide (GO) to metal-free phthalocyanine (MPc) through only hydrogen bonding and π-π stacking. Briefly, Pc-GO composites at various concentrations were prepared by ... -
Prunus mahaleb shell as a sustainable bioresource for carminic acid removal from aqueous solution: Experimental and theoretical studies
Keskin, Zehra Seba; Şenol, Zeynep Mine; Kaya,Savaş; Şimşek, Selçuk (Elsevier, 2023)This study focused on the performance of Prunus mahaleb shell (MS) agricultural waste, which is used as an alternative biosorbent for carminic acid (CA) removal from aqueous solution. The effects of different parameters ... -
Thickness-Dependent Charge Transport in Three Dimensional Ru(II)− Tris(phenanthroline)-Based Molecular Assemblies
We describe here the fabrication of large-area molecular junctions with a configuration of ITO/[Ru(Phen)3]/Al to understand temperature- and thickness-dependent charge transport phenomena. Thanks to the electrochemical ...