93 results for “Phosphoruse nitrogen compounds, DFT, Molecular docking”
Research Article
Open Access Chemical Activity Studies with Density Functional Theory
Zeynep Demircioğlu, Demircioğlu Z, Orhan Büyükgüngör, Büyükgüngör O, Cem Cüneyt Ersanlı, Ersanlı C
2nd International Symposium on Innovative Approaches in Scientific Studies 2018
Density functional theory (DFT) is a computational quantum mechanical modelling method used
in physics, chemistry and materials science to investigate the electronic structure (principally the ground state) of many-body
systems, in particular atoms, molecule…
Research Article
Open Access Design of DFT Algorithm and Realization by Using FPGA
Kürşad Uçar, Uçar K, Hasan Erdinç Koçer, Koçer H
International Symposium on Multidisciplinary Studies and Innovative Technologies 2017
Field Programmable Gate Arrays (FPGAs) are configurable logic semiconductor devices which connect by programmable interconnections. They can be reprogrammed to desired application or functionality requirements. VHDL is a one of the hardware descriptive languag…
Research Article
Open Access Investigation of Spectroscopic, Theoretical and Molecular Docking of methoxyphenyl derivatives
Burak Tüzün, Tüzün B, Sultan Erkan, Erkan S
2nd International Symposium on Innovative Approaches in Scientific Studies 2018
The metal ions accelerate drug action and efficiency of therapeutic compounds [1]. Metal complexes
may inhibit the protein synthesis because of interference in the cellular respiration. Cancer is leading cause of
fatality in recent years and remained as a ch…
Research Article
Open Access The computational analysis on NLO properties and molecular docking studies for some cyclophosphazenes compounds
Sultan Erkan, Erkan S, Burak Tüzün, Tüzün B
2nd International Symposium on Innovative Approaches in Scientific Studies 2018
The hexakis-[30-(10,20,30-thiadiazol-40-yl)phenoxy] (5) and hexakis-[50-oxy-20-
methylbenzothiazole] (6) cyclotriphosphazene derivatives were synthesized by Çiftçi et al. in 2017. The structural
parameters for the compound (6) and the fluorescence properties…
Research Article
Open Access The structural, spectroscopic and molecular docking analysis on phosphorusenitrogen compounds
Sultan Erkan, Erkan S, Burak Tüzün, Tüzün B
2nd International Symposium on Innovative Approaches in Scientific Studies 2018
The (9) and (12) compounds are optimized at B3LYP/6-31G(d,p) level in gas phase. The
calculated bond length and bond angles are compared with experimental values. Also, the
calculated vibrational frequencies are assignment for mentioned compounds according t…
Research Article
Open Access DFT Computational Studies on (E)-4-bromo-5-fluoro-2-((4-methoxyphenylimino)methyl)phenol
Hasan Tanak, Tanak H
4th International Symposium on Innovative Approaches in Engineering and Natural Sciences 2019 https://doi.org/10.36287/setsci.4.6.033
Schiff bases (known as imine or azomethine) exhibit interest as materials for wide spectrum applications, particularly as corrosion inhibitors, a metal ion complexing agents, in biological systems and thermo-stable materials. Schiff bases are an important cla…
Research Article
Open Access Investigation of Spectroscopic, Theoretical and Molecular Docking of vanillin thiosemicarbazone derivatives
Burak Tüzün, Tüzün B, Sultan Erkan, Erkan S
2nd International Symposium on Innovative Approaches in Scientific Studies 2018
Thiosemicarbazones are biochemically interesting compounds which exert a wide range of biological
activities, and, thanks to this property, are promising, as drugs, in the treatment of many diseases. Metal complexes
may inhibit the protein synthesis because …
Research Article
Open Access Spectroscopic and DFT Studies on 2-{[(2-chlorophenyl)-imino]methyl}phenol
Hasan Tanak, Tanak H, Meryem Evecen, Evecen M
4th International Symposium on Innovative Approaches in Engineering and Natural Sciences 2019 https://doi.org/10.36287/setsci.4.6.034
Schiff bases are an important class of organic compounds. Schiff bases have biological activities such as antimicrobial, antifungal, antitumor activities and herbicidal properties. On the industrial scale, they have a wide range of applications, such as in dye…
Research Article
Open Access Investigation of anti-cancer properties of derivaties of 2- benzimidazole
Burak Tüzün, Tüzün B, Sultan Erkan, Erkan S
2nd International Symposium on Innovative Approaches in Scientific Studies 2018
Transition metal complexes are playing an important role the field of bioorganic chemistry. it has been
attempted to investigate the anti-cancer properties of complexes of 2-benzimidazole derivatives formed with
various metal atoms [1-2]. In these examinatio…
Research Article
Open Access Quantum chemical computational studies on 4-Fluoro-N-(4-hydroxybenzylidene)-aniline
Hasan Tanak, Tanak H
4th International Symposium on Innovative Approaches in Engineering and Natural Sciences 2019 https://doi.org/10.36287/setsci.4.6.036
Schiff bases are used as starting materials in the synthesis of important drugs, such as antibiotics, antiphlogistic, antiallergic and antitumor substances. On the industrial scale, Schiff bases have a wide range of applications, such as dyes and pigments. The…
Research Article
Open Access Effect of Carbon Source in Preparation of Heteroatom Doped Carbon Quantum Dots as Fluorescent Probe for Amino Acids
Funda Çopur, Çopur F, Erhan Zor, Zor E, Sabri Apaydın, Apaydın S, Haluk Bingöl, Bingöl H
Ist International Symposium on Innovative Approaches in Scientific Studies 2018
Molecular interactions have been a hot topic in chemistry because of their importance in different processes from biological activities [1]. Quantum dots with strong and easily tunable luminescence and high emission quantum yields have become well-established …
Research Article
Open Access Computational studies on the vanadocene dithiocarbamate complexes
Sultan Erkan, Erkan S
2nd International Symposium on Innovative Approaches in Scientific Studies 2018
[Cp2V{S2CN(CH2)4O}]+ and [(η5-C5H4Me)2V{S2CN(CH2)4O}]+ complexes are optimized B3LYP/GEN
level (GEN keyword is mean that LANL2DZ basis set for metal atom and 6-31G(d) basis set for S, O, N, C and H
atoms) in gas phase. The aim in this study, the molecular st…
Research Article
Open Access Stronsiyum ve Stronsiyum-Magnezyum katkılarının Al-9Si Alaşımının Yapısal ve Mekanik Özelliklerine Etkisi
Ali Paşa Hekimoğlu, Hekimoğlu A, Merve Çalış, Çalış M, Gizem Ayata, Ayata G
Ist International Symposium on Innovative Approaches in Scientific Studies 2018
Bu çalışmada birer adet ikili Al-9Si, üçlü Al-9Si-0,1Sr ve dörtlü Al-9Si-0,1Sr-0,6Mg alaşımı indüksiyonlu ergitme ocağında ergitme ve oda sıcaklığında tutulan kokil kalıba döküm yöntemi ile üretildi. Alaşımların yapısal ve mekanik özellikleri üretilen alaşım k…
Research Article
Open Access The Investigation of Magnetic Levitation Performance of Bis (2-methoxy- 4-allylphenyl) Oxalate (I) (C22H22O6) Doped MgB2 Bulk Superconductor
Burcu Savaşkan, Savaşkan B, Sait Barış Güner, Güner S, Günay Kantar, Kantar G
2nd International Symposium on Innovative Approaches in Scientific Studies 2018
In this work, the effects of bis (2-methoxy-4-allylphenyl) oxalate (I) on levitation (Fz) and lateral forces (Fx) of bulk
MgB2 superconductor has been investigated and reported for the first time. All samples were prepared from magnesium powder
(Mg, 99.8 %),…
Research Article
Open Access Role of Efflux Pump in Biofilm Formation of Multidrug-Resistant Pseudomonas aeruginosa
Ceren Başkan, Başkan C, Belgin Sırıken, Sırıken B
4th International Symposium on Innovative Approaches in Health and Sports Sciences 2019 https://doi.org/10.36287/setsci.4.9.081
Pseudomonas (P.) aeruginosa is Gram-negative an opportunistic human pathogen associated with nosocomial infections particularly immuno-compromised patients such as cystic fibrosis, cancer, and diabetes. This organism can also develop high-level intrinsic and a…
Research Article
Open Access Laboratory Scale Applications of Membrane Treatment Systems for Organized Industrial Zones
İbrahim Uyanık, Uyanık İ, Oktay Özkan, Özkan O
2nd International Symposium on Innovative Approaches in Scientific Studies 2018
Organized Industrial Zones (OIZ) are growing in number since the year 1962, and as of 2018, the number of mixed,
specialized and rehabilitated OIZs is more than 300. In these regions, wastewater management is mostly contracted with the
municipality and in 46…
Research Article
Open Access The Effect of Rhizobium Inoculation Prepared in Different Methods on Yield and Some Agronimic Characteristics of Soybean Grown as Double Crop in Cukurova Region
Halis Arıoğlu, Arıoğlu H, Halil Bakal, Bakal H, Leyla Güllüoğlu, Güllüoğlu L, Bihter Onat, Onat B
2nd International Symposium on Innovative Approaches in Scientific Studies 2018
This study was conducted at the Experimental area of Cukurova University in 2017 as a double crop. The objective
of this study was to determinate the effect of Bacteria inoculation (Bradyrhizobium japonicum) prepared in different methods
on yield and some ag…
Research Article
Open Access Synthesis, Characterization of The Novel Carbazole Core Structures and Investigations of Photodiode Properties
Müjdat Çağlar, Çağlar M, Kamuran Görgün, Görgün K, Merve Yandımoğlu, Yandımoğlu M
2nd International Symposium on Innovative Approaches in Scientific Studies 2018
Palladium-catalyzed Suzuki Miyaura cross coupling reactions (SM Coupling) are made using organoboronic acid
and halides. 9-(4-anthracene-9-yl-phenyl)-9H-carbazole (III) was synthesized by using Ullman and Suzuki coupling reactions.
Structural analysis of the…
Research Article
Open Access Pseudomonas aeruginosa detection methods from ground beef and chicken meat samples
Belgin Sırıken, Sırıken B, Gökhan İnat, İnat G, Ceren Başkan, Başkan C
4th International Symposium on Innovative Approaches in Health and Sports Sciences 2019 https://doi.org/10.36287/setsci.4.9.082
In this study, chicken and ground beef samples purchased from supermarkets and butchers in Samsun Province were analyzed for presence of Pseudomonas (P.) aeruginosa. In this case, classical culture technique were applied with molecular techniques. Isolation wa…
Research Article
Open Access Pseudomonas aeruginosa detection methods from fish samples
Belgin Sırıken, Sırıken B, Veli Öz, Öz V, Ceren Başkan, Başkan C
4th International Symposium on Innovative Approaches in Health and Sports Sciences 2019 https://doi.org/10.36287/setsci.4.9.083
A total of 70 fish samples were randomly purchased from different butchers and supermarkets brands in Samsun Province, Turkey in 2018, and analysed for present of Pseudomonas (P.) aeruginosa. For that purpose, P. aeruginosa isolation was carried out in conven…