G. Serdaroğlu

发表

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

N. Uludağ, G. Serdaroğlu, Abdullah Yinanç, 2018 .

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

N. Uludağ, G. Serdaroğlu, 2018 .

Corrosion Inhibition of Steel Using Different Families of Organic Compounds: Past and Present Progress

M. A. Quraishi, E. Ebenso, C. Verma, 2021, Journal of Molecular Liquids.

Experimental and Theoretical Spectroscopic Studies of the Electronic Structure of 2-Ethyl-2-phenylmalonamide

P. Rajkumar, M. Kesavan, S. Gunasekaran, 2021 .

Zeolite/Cellulose Acetate (ZCA) in Blend Fiber for Adsorption of Erythromycin Residue From Pharmaceutical Wastewater: Experimental and Theoretical Study

S. Kaya, S. Jodeh, G. Serdaroğlu, 2021, Frontiers in Chemistry.

Spectral studies and quantum chemical ab initio calculations for Copper(II) complexes of two heterocyclic aroylhydrazones

S. Kaya, G. Serdaroğlu, M. Kurup, 2021 .

Synthesis, characterization, biological and DFT studies of charge-transfer complexes of antihyperlipidemic drug atorvastatin calcium with Iodine, Chloranil, and DDQ

N. Jayaprakash, S. Niranjani, K. Venkatachalam, 2021, Journal of Molecular Liquids.

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

A. Zarrouk, F. Benhiba, Savaş Kaya, 2022, Journal of Molecular Liquids.

Experimental and theoretical analysis of molecular structure, vibrational spectra and biological properties of the new Co(II), Ni(II) and Cu(II) Schiff base metal complexes

S. Kaya, P. Vennila, R. Sakthivel, 2021 .

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

S. Kaya, E. Suresh, G. Serdaroğlu, 2021 .

The synthesis and spectroscopic characterization of (+)-demethoxyaspidospermine: Density functional theory calculations of the structural, electronic, and non-linear optic and spectroscopic properties

N. Uludağ, G. Serdaroğlu, 2019, Journal of Chemical Research.

A DFT Investigation on the Structure, Spectroscopy (FT‐IR and NMR), Donor‐Acceptor Interactions and Non‐Linear Optic Properties of (±)‐1,2‐Dehydroaspidospermidine

N. Uludağ, G. Serdaroğlu, 2019, ChemistrySelect.

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

G. Serdaroğlu, Neslihan Şahin, N. Şahin, 2019, Journal of Molecular Structure.

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

G. Serdaroğlu, Mustafa Elik, 2017 .

Synthesis, identification, density functional and Hirshfeld surface studies of 2,2′‐disulfanediylbis(tetrahydro‐4H‐cyclopenta[d][1,3,2]dioxaphosphole‐2‐sulfide)

S. Kaya, Z. Safi, R. Staples, 2021, J. Comput. Chem..

Nitrobenzamido substitution on thiophene-3-carboxylate: Electrochemical investigation, Antioxidant activity, Molecular Docking, DFT Calculations

N. Çolak, P. Rajkumar, N. Uludağ, 2022, Journal of Molecular Structure.

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

G. Serdaroğlu, Ceren Başkan, Musa Erdoğan, 2022, Comput. Biol. Chem..

Strychnos alkaloids: total synthesis, characterization, DFT investigations, and molecular docking with AChE, BuChE, and HSA

N. Uludağ, G. Serdaroğlu, Elvan Üstün, 2022, Heliyon.

Copper(II) chelates derived from an N,N,O-tridentate 2-pyridinecarboxaldehyde-N4-phenylsemicarbazone: Synthesis, spectral aspects, crystal structure, FMO and NBO analysis

G. Serdaroğlu, M. Kurup, M. Sithambaresan, 2022, Journal of Molecular Structure.

Equilibrium, Thermodynamic, and Density Functional Theory Modeling Studies for the Removal of Dichromate Ions from Wastewater Using Calix[4]arene Modified Silica Resin

S. Kaya, S. Memon, Nida S Jalbani, 2020 .

Ab Initio Calculations on some Antiepileptic Drugs such as Phenytoin, Phenbarbital, Ethosuximide and Carbamazepine

J. Ortiz, G. Serdaroğlu, 2017, Structural Chemistry.

Mixed ligand copper(II) chelates derived from an O, N, S- donor tridentate thiosemicarbazone: Synthesis, spectral aspects, FMO, and NBO analysis

S. Kaya, G. Serdaroğlu, M. Kurup, 2020 .

Synthesis, spectroscopic characterization, DFT calculations, and molecular docking studies of new unsymmetric bishydrazone derivatives

Igor Barden Grillo, S. Kaya, G. Rocha, 2021 .

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

E. Suresh, R. Marzouki, G. Serdaroğlu, 2021, Journal of Molecular Structure.

Organic and Inorganic Corrosion Inhibitors

S. Kaya, G. Serdaroğlu, 2021, Organic Corrosion Inhibitors.

The substituent effect on chemical reactivity of (9H-pyrido[3,4-b]indole-3-yl)methanol: Spectroscopic and electronic investigation

S. Kaya, G. Serdaroğlu, 2021 .

PEPPSI type complexes: Synthesis, x-ray structures, spectral studies, molecular docking and theoretical investigations

I. Özdemir, Muhammad Mohsin Tahir, G. Serdaroğlu, 2021 .

Concise total synthesis of (±)-aspidospermidine and computational study: FT-IR, NMR, NBO, NLO, FMO, MEP diagrams

N. Uludağ, G. Serdaroğlu, 2018, Journal of Molecular Structure.

Synthesis, spectroscopic characterization, molecular docking studies and DFT calculation of novel Mannich base 1-((4-ethylpiperazin-1-yl)(2-hydroxyphenyl)methyl)naphthalen-2-ol

S. Kaya, Y. Sixto-López, P. Vennila, 2021 .

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

N. Uludağ, E. Erçağ, G. Serdaroğlu, 2021, Journal of Molecular Structure.

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

G. Serdaroğlu, Mustafa Elik, 2017 .

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

N. Uludağ, G. Serdaroğlu, 2021, Chemical Papers.

New route for synthesis of 2-(2,2-dimethoxyethyl)-1,2,3,4,5,6-hexahydro-1,5-methanoazocino[4,3-b]indole and DFT investigation

N. Uludağ, G. Serdaroğlu, 2020, Heliyon.

Direct arylation of heteroarenes by PEPPSI-type palladium–NHC complexes and representative quantum chemical calculations for the compound which the structure was determined by X-ray crystallography

I. Özdemir, G. Serdaroğlu, Neslihan Şahin, 2019, Journal of Coordination Chemistry.

Spectroscopic, crystal structure and DFT-assisted studies of some nickel(II) chelates of a heterocyclic-based NNO donor aroylhydrazone: in vitro DNA binding and docking studies

T. Vinod, Yamuna Nair, G. Serdaroğlu, 2023, Molecular diversity.

New Hybrid (E)‐4‐((pyren‐1‐ylmethylene)amino)‐N‐(thiazol‐2‐yl)benzenesulfonamide as a Potential Drug Candidate: Spectroscopy, TD‐DFT, NBO, FMO, and MEP Studies**

G. Serdaroğlu, Musa Erdoğan, 2021, ChemistrySelect.

Conformational Analysis, Spectroscopic Insights, Chemical Descriptors, ELF, LOL and Molecular Docking Studies of Potential Pyrimidine Derivative with Biological Activities

B. J. Mohan, S. Kaya, G. Serdaroğlu, 2021, Polycyclic Aromatic Compounds.

Modeling the DFT structural and reactivity studies of a pyrimidine -6-carboxylate derivative with reference to its wavefunction-dependent, MD simulations and evaluation for potential antimicrobial activity

B. J. Mohan, Y. Mary, Y. Mary, 2021 .

Conformational analysis and quantum descriptors of two bifonazole derivatives of immense anti-tuber potential by using vibrational spectroscopy and molecular docking studies

Y. Mary, Y. Mary, G. Serdaroğlu, 2020, Structural Chemistry.

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

G. Serdaroğlu, 2019, Research on Chemical Intermediates.

A Computational study predicting the chemical reactivity behavior of 1-substituted 9-ethyl-βCCM derivatives: DFT- Based Quantum Chemical Descriptors

G. Serdaroğlu, Mustafa Elik, 2018 .

Carbazole derivatives: Synthesis, spectroscopic characterization, antioxidant activity, molecular docking study, and the quantum chemical calculations

P. Rajkumar, N. Uludağ, E. Erçağ, 2021 .

Synthesis, in vitro anticancer activities, and quantum chemical investigations on 1,3-bis-(2-methyl-2-propenyl)benzimidazolium chloride and its Ag(I) complex

I. Özdemir, G. Serdaroğlu, N. Gürbüz, 2020 .

Equilibrium, thermodynamic, and kinetic modeling studies for the adsorptive removal of oxyanions from water

S. Memon, Ranjhan Junejo, G. Serdaroğlu, 2021, Separation Science and Technology.

A DFT study of determination of the reactive sites of the acetylcholine and its agonists: In the gas phase and dielectric medium

G. Serdaroğlu, 2011 .

Anticorrosive and antioxidant effect of the aqueous extract of the leaves, flowers, and stems of Cistus monspeliensis L: Experimental and computational study

B. Hammouti, Y. Karzazi, G. Serdaroğlu, 2021 .

Insight into the corrosion inhibition of novel macromolecular epoxy resin as highly efficient inhibitor for carbon steel in acidic mediums: Synthesis, characterization, electrochemical techniques, AFM/UV–Visible and computational investigations

S. Kaya, Z. Safi, A. Zarrouk, 2021 .

An overview on plant extracts as potential green corrosion inhibitors for metals and alloys

S. Kaya, A. Aouniti, G. Serdaroğlu, 2020 .

DFT computational study of trihalogenated aniline derivative’s adsorption onto graphene/fullerene/fullerene-like nanocages, X12Y12 (X = Al, B, and Y = N, P)

S. Kaya, Y. Mary, Y. Mary, 2021, Journal of biomolecular structure & dynamics.

(-)-Tubifolidine as strychnos indole alkaloid: Spectroscopic charactarization (FT-IR, NMR, UV-Vis), antioxidant activity, molecular docking, and DFT studies

P. Rajkumar, N. Uludağ, G. Serdaroğlu, 2021 .

Novel antioxidant quinoxaline derivative: Synthesis, crystal structure, theoretical studies, antidiabetic activity and molecular docking study

S. Kaya, J. Mague, E. Essassi, 2021 .

Electrochemical investigations and theoretical studies of biocompatible niacin-modified carbon paste electrode interface for electrochemical sensing of folic acid

S. Kaya, E. Shin, Ganesh Shimoga, 2021, Journal of Analytical Science and Technology.

The corrosion inhibition and adsorption behavior of mercaptobenzimidazole and bis-mercaptobenzimidazole on carbon steel in 1.0 M HCl: Experimental and computational insights

S. Kaya, B. El Ibrahimi, I. Ali, 2021 .

Hydroxy phenyl hydrazides and their role as corrosion impeding agent: A detail experimental and theoretical study

S. Kaya, A. Singh, B. Pani, 2021 .

Conformational analysis and DFT investigations of two triazole derivatives and its halogenated substitution by using spectroscopy, AIM and Molecular docking

Y. Mary, Y. Mary, Veena S. Kumar, 2021 .

N. Uludağ, G. Serdaroğlu, 2019 .

Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of 2, 2, 2-tribromo-1-(3,5-dibromo-2-hydroxyphenyl)ethanone

S. Kaya, Ameni Brahmia, G. Serdaroğlu, 2021 .

Synthesis, crystal structure, hirshfeld surface analysis, spectroscopic, biological and first-principles studies of novel aminocoumarins

S. Kaya, M. Bour, M. Dušek, 2020, Journal of Molecular Structure.

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

S. Kaya, R. Touir, G. Serdaroğlu, 2020 .

Spectroscopic (FT-IR, NMR) and Computational Investigation of 2-(2-Aminoethyl)-1,2,3,4,9-Tetrahydrocarbazole: NBO, NLO, FMO, MEP Analysis

N. Uludağ, G. Serdaroğlu, 2019, Journal of Structural Chemistry.

DFT and Ab Initio Computational Study on the Reactivity Sites of the GABA and its Agonists, Such as CACA, TACA, DABA, and Muscimol: In the Gas Phase and Dielectric Media

G. Serdaroğlu, 2011 .

A computational study on relationship between quantum chemical parameters and reactivity of the zwitterionic GABA and its agonists: Solvent effect

G. Serdaroğlu, 2017 .

A combined molecular dynamic simulation, DFT calculations, and experimental study of the eriochrome black T dye adsorption onto chitosan in aqueous solutions.

S. Kaya, N. Barka, M. Abdennouri, 2020, International journal of biological macromolecules.

Conformational analysis and quantum descriptors of two new imidazole derivatives by experimental, DFT, AIM, molecular docking studies and adsorption activity on graphene

Y. Mary, Y. Mary, Veena S. Kumar, 2020, Heliyon.

Novel Ag(I)-NHC complex: synthesis, in vitro cytotoxic activity, molecular docking, and quantum chemical studies

G. Serdaroğlu, Elvan Üstün, Serap Şahin-Bölükbaşı, 2021, Zeitschrift fur Naturforschung. C, Journal of biosciences.

The electronic and spectroscopic investigation of (±)- Dasycarpidone

N. Uludağ, G. Serdaroğlu, 2020 .

Synthesis of thiophene derivatives: Substituent effect, Antioxidant activity, Cyclic voltammetry, Molecular Docking, DFT, and TD-DFT Calculations

N. Çolak, P. Rajkumar, N. Uludağ, 2022, Journal of Molecular Structure.

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

N. Uludağ, G. Serdaroğlu, Elvan Üstün, 2023, Journal of Molecular Liquids.

Experimental and DFT Modeling Studies for the Adsorptive Removal of Reactive Dyes from Wastewater

S. Kaya, S. Memon, Ranjhan Junejo, 2021, Separation Science and Technology.

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

S. Kaya, A. Zarrouk, F. Benhiba, 2021, Chemical Physics Letters.

Adsorption of methylene blue cationic dye onto brookite and rutile phases of titanium dioxide: Quantum chemical and molecular dynamic simulation studies

S. Kaya, M. Abdennouri, S. Qourzal, 2021, Inorganic Chemistry Communications.

Adsorption of adipic acid in Al/B-N/P nanocages: DFT investigations

Y. Mary, Y. Mary, J. S. Al-Otaibi, 2021, Journal of Molecular Modeling.

Two empirical formulae for estimating standard entropy of inorganic ionic solids and a possible connection between two associated electronic structure principles

S. Kaya, P. Chattaraj, G. Serdaroğlu, 2021, Polyhedron.

Adsorption of Eriochrome Black T on the chitin surface: Experimental study, DFT calculations and molecular dynamics simulation

S. Kaya, M. Abdennouri, Noureddine Barka, 2021 .

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

G. Serdaroğlu, Haroon Khan, Imad‐ad‐Dean Ahmad, 2023, Comput. Biol. Chem..

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

G. Serdaroğlu, Demet Baybaş, Buse Semerci, 2021, International journal of biological macromolecules.

Experimental and theoretical investigations on electronic structure of 5-(hydroxymethyl)-2-furaldehyde: An antisickling agent identified from terminalia bellirica

R. Suganya, P. Rajkumar, M. Kesavan, 2020 .

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

N. Çolak, N. Uludağ, G. Serdaroğlu, 2023, New Journal of Chemistry.

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

N. Uludağ, G. Serdaroğlu, 2022, Journal of Molecular Structure.

Green Synthesis of Pyrrole Derivatives Catalyzed by Molecular Sieves: DFT, ADMT, and Molecular Docking Investigations

N. Uludağ, G. Serdaroğlu, E. Üstün, 2024, ChemistrySelect.

Advancing Pyrrole Synthesis through DDQ Catalysis: A Comprehensive Research Incorporating DFT, ADMT, and Molecular Docking Analysis

N. Uludağ, G. Serdaroğlu, E. Üstün, 2024, ChemistrySelect.

An efficient new method of ytterbium(III) triflate catalysis approach to the synthesis of substituted pyrroles: DFT, ADMET, and molecular docking investigations

N. Uludağ, G. Serdaroğlu, Elvan Üstün, 2023, Comput. Biol. Chem..

Molecular modeling study on the water-electrode surface interaction in hydrovoltaic energy

I. Kariper, G. Serdaroğlu, S. Esra, 2023, Scientific reports.

Pyrimidine and cumene derivatives functionalized by Hydroxy and Methoxy: Computational insights in Drug-likeness, ADM, and Toxicity studies

G. Serdaroğlu, Emine Soyutek, Şeyda Koçarslan, 2023, Results in Chemistry.

In silico ADMET and DFT analysis of methoxy substituted curcumin derivatives

Khalaf F. Alsharif, G. Serdaroğlu, Syed Wadood Ali Shah, 2024, Inorganic Chemistry Communications.