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Materials Development and Processing for Biomedical Applications

1, 2022

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Corrosion Science: Theoretical and Practical Applications

1, 2024

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In Silico, SwissADME, and DFT Studies of Newly Synthesized Oxindole Derivatives Followed by Antioxidant Studies

Journal of chemistry, 2023, Vol.2023, p.1-16

2023

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Pyrimidine and cumene derivatives functionalized by hydroxy and methoxy: Computational insights in drug-likeness, ADM, and toxicity studies

Results in Chemistry, 2023-12, Vol.6, p.101106, Article 101106

2023

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A Computational Study of 1-substituted methyl 9-methyl-9H-pyrido[3,4-b]indole-3-carboxylate: Quantum Chemical Descriptors, FMO and NBO Analysis

Cumhuriyet Science Journal, 2017-12, Vol.38 (4), p.138-155

2017

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An efficient studies on C-2 cyanomethylation of the indole synthesis: The electronic and spectroscopic characterization (FT-IR, NMR, UV-Vis), antioxidant activity, and theoretical calculations

Journal of molecular structure, 2022-01, Vol.1247, p.131416, Article 131416

2022

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Nitrobenzamido substitution on thiophene-3-carboxylate: Electrochemical investigation, antioxidant activity, molecular docking, DFT calculations

Journal of molecular structure, 2023-01, Vol.1271, p.134030, Article 134030

2023

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DFT Based Quantum Chemical Descriptors of 1-Substituted THβC, DHβC, βC Derivatives

Cumhuriyet Science Journal, 2017-12, Vol.38 (4), p.647-660

2017

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A novel synthesis of octahydropyrido[3,2-c]carbazole framework of aspidospermidine alkaloids and a combined computational, FT-IR, NMR, NBO, NLO, FMO, MEP study of the cis-4a-Ethyl-1-(2hydroxyethyl)-2,3,4,4a,5,6,7,11c-octahydro-1H-pyrido[3,2-c]carbazole

Journal of molecular structure, 2018-06, Vol.1161, p.152-168

2018

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Cyanomethylation of 2,3,4,9-tetrahydro-1H-carbazol-1-one based on using two different reagents: Antioxidant activity and DFT studies

Journal of molecular structure, 2022-04, Vol.1253, p.132262, Article 132262

2022

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Harmine derivatives: a comprehensive quantum chemical investigation of the structural, electronic (FMO, NBO, and MEP), and spectroscopic (FT-IR and UV–Vis) properties

Research on chemical intermediates, 2020, Vol.46 (1), p.961-982

Serdaroğlu, Goncagül

2020

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Physicochemical properties, drug likeness, ADMET, DFT studies, and in vitro antioxidant activity of oxindole derivatives

Computational biology and chemistry, 2023-06, Vol.104, p.107861-107861, Article 107861

2023

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A novel series of tetrahydrothieno[2,3-]pyridin-2-yl derivatives: fluorescence spectroscopy and BSA binding, ADMET properties, molecular docking, and DFT studies

New journal of chemistry, 2023-06, Vol.47 (25), p.11945-11963

2023

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Eco-friendly sodium gluconate and trisodium citrate inhibitors for low carbon steel in simulated cooling water system: Theoretical study and molecular dynamic simulations

Journal of molecular liquids, 2020-12, Vol.319, p.114108, Article 114108

2020

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Spectral, thermal and DFT studies of novel nickel(II) complexes of 2-benzoylpyridine-N4-methyl-3- thiosemicarbazone: Crystal structure of a square planar azido-nickel(II) complex

Journal of molecular structure, 2022-04, Vol.1253, p.132257, Article 132257

2022

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Substituted naphthoxy-phthalonitrile derivatives: Synthesis, substituent effects, DFT, TD-DFT Calculations, antimicrobial properties and DNA interaction studies

Computational biology and chemistry, 2023-02, Vol.102, p.107798-107798, Article 107798

2023

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The composite microbeads of alginate, carrageenan, gelatin, and poly(lactic-co-glycolic acid): Synthesis, characterization and Density Functional Theory calculations

International journal of biological macromolecules, 2021-06, Vol.181, p.322-338

2021

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Insight of development of two cured epoxy polymer composite coatings as highly protective efficiency for carbon steel in sodium chloride solution: DFT, RDF, FFV and MD approaches

Journal of molecular liquids, 2022-08, Vol.360, p.119406, Article 119406

2022

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The electronic and spectroscopic investigation of (±)- Dasycarpidone

Vibrational spectroscopy, 2020-11, Vol.111, p.103156, Article 103156

2020

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The synthesis and characterization of 1-(Allyl)-3-(2-methylbenzyl)benzimidazolium chloride: FT-IR, NMR, and DFT computational investigation

Journal of molecular structure, 2019-02, Vol.1178, p.212-221

2019

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Efficient synthesis of chromeno[2,3-b]pyridine derivatives using Zn(OTf)2 as a catalyst: DFT computations, molecular docking and ADME studies

Journal of molecular liquids, 2023-04, Vol.375, p.121364, Article 121364

2023

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Performance of curing epoxy resin as potential anticorrosive coating for carbon steel in 3.5% NaCl medium: Combining experimental and computational approaches

Chemical physics letters, 2021-11, Vol.783, p.139081, Article 139081

2021

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An improved synthesis, spectroscopic (FT-IR, NMR) study and DFT computational analysis (IR, NMR, UV–Vis, MEP diagrams, NBO, NLO, FMO) of the 1,5-methanoazocino[4,3-b]indole core structure

Journal of molecular structure, 2018-03, Vol.1155, p.548-560

2018

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Structural, electronic, and spectroscopic study on 1,5-methanoazocino[4,3-b]indole synthesized by TFB-based route

Chemical papers, 2021-09, Vol.75 (9), p.4549-4564

2021

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Diversities in the chelation of aroylhydrazones towards cobalt(II) salts: Synthesis, spectral characterization, crystal structure and some theoretical studies

Journal of molecular structure, 2021-05, Vol.1232, p.129978, Article 129978

2021

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Materials Development and Processing for Biomedical Applications

Corrosion Science: Theoretical and Practical Applications

In Silico, SwissADME, and DFT Studies of Newly Synthesized Oxindole Derivatives Followed by Antioxidant Studies

Pyrimidine and cumene derivatives functionalized by hydroxy and methoxy: Computational insights in drug-likeness, ADM, and toxicity studies

A Computational Study of 1-substituted methyl 9-methyl-9H-pyrido[3,4-b]indole-3-carboxylate: Quantum Chemical Descriptors, FMO and NBO Analysis

An efficient studies on C-2 cyanomethylation of the indole synthesis: The electronic and spectroscopic characterization (FT-IR, NMR, UV-Vis), antioxidant activity, and theoretical calculations

Nitrobenzamido substitution on thiophene-3-carboxylate: Electrochemical investigation, antioxidant activity, molecular docking, DFT calculations

DFT Based Quantum Chemical Descriptors of 1-Substituted THβC, DHβC, βC Derivatives

A novel synthesis of octahydropyrido[3,2-c]carbazole framework of aspidospermidine alkaloids and a combined computational, FT-IR, NMR, NBO, NLO, FMO, MEP study of the cis-4a-Ethyl-1-(2hydroxyethyl)-2,3,4,4a,5,6,7,11c-octahydro-1H-pyrido[3,2-c]carbazole

Cyanomethylation of 2,3,4,9-tetrahydro-1H-carbazol-1-one based on using two different reagents: Antioxidant activity and DFT studies

Harmine derivatives: a comprehensive quantum chemical investigation of the structural, electronic (FMO, NBO, and MEP), and spectroscopic (FT-IR and UV–Vis) properties

Physicochemical properties, drug likeness, ADMET, DFT studies, and in vitro antioxidant activity of oxindole derivatives

A novel series of tetrahydrothieno[2,3-]pyridin-2-yl derivatives: fluorescence spectroscopy and BSA binding, ADMET properties, molecular docking, and DFT studies

Eco-friendly sodium gluconate and trisodium citrate inhibitors for low carbon steel in simulated cooling water system: Theoretical study and molecular dynamic simulations

Spectral, thermal and DFT studies of novel nickel(II) complexes of 2-benzoylpyridine-N4-methyl-3- thiosemicarbazone: Crystal structure of a square planar azido-nickel(II) complex

Substituted naphthoxy-phthalonitrile derivatives: Synthesis, substituent effects, DFT, TD-DFT Calculations, antimicrobial properties and DNA interaction studies

The composite microbeads of alginate, carrageenan, gelatin, and poly(lactic-co-glycolic acid): Synthesis, characterization and Density Functional Theory calculations

Insight of development of two cured epoxy polymer composite coatings as highly protective efficiency for carbon steel in sodium chloride solution: DFT, RDF, FFV and MD approaches

The electronic and spectroscopic investigation of (±)- Dasycarpidone

The synthesis and characterization of 1-(Allyl)-3-(2-methylbenzyl)benzimidazolium chloride: FT-IR, NMR, and DFT computational investigation

Efficient synthesis of chromeno[2,3-b]pyridine derivatives using Zn(OTf)2 as a catalyst: DFT computations, molecular docking and ADME studies

Performance of curing epoxy resin as potential anticorrosive coating for carbon steel in 3.5% NaCl medium: Combining experimental and computational approaches

An improved synthesis, spectroscopic (FT-IR, NMR) study and DFT computational analysis (IR, NMR, UV–Vis, MEP diagrams, NBO, NLO, FMO) of the 1,5-methanoazocino[4,3-b]indole core structure

Structural, electronic, and spectroscopic study on 1,5-methanoazocino[4,3-b]indole synthesized by TFB-based route

Diversities in the chelation of aroylhydrazones towards cobalt(II) salts: Synthesis, spectral characterization, crystal structure and some theoretical studies

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