Cemal PARLAK

Fen Fakültesi, Fizik Bölümü, Genel Fizik Anabilim Dalı

Research areas: Natural Sciences, Chemistry, Physics, Physical Chemistry, General Physics, Intensive Article 2: Electronic Structure, Electric, Magnetic and Optical Properties, Atomic and Molecular Physics, Atomic and Molecular Interactions, Theory of Atoms and Molecules, Physical Chemistry

Publications

• Acetatobis( l -arginine)copper( ii ) acetate trihydrate: synthesis from l -argininium acetate, structural-electronic insights and in vitro antimicrobial activity (2026)
• Theoretical investigation of the interaction and modulatory potential of Aronia melanocarpa phytochemicals across an AMD-associated protein panel (2026)
• A computational Exploration of Escitalopram and Metformin Interactions and their Delivery Trials with B and Si-Modified Fullerenes for Controlled Release (2026)
• Pharmacological investigation of formyl and acetyl substituents on piperazine: Docking, ADMET and Molecular Dynamics Simulations (2026)
• A novel Dinuclear rhenium(I) Tricarbonyl complex as a potential anticancer agent: Synthesis, structural characterisation, in vitro evaluation, density functional theory, and molecular docking binding modes (2026)
• Simultaneous Silicon-Decorated and Potassium-Encapsulated Fullerene C60 as Tegafur Carriers: A DFT and Molecular Docking Study (2026)
• A theoretical kinetic study of the methane’s hydrogen abstraction by chlorine at a large temperature range (2025)
• A theoretical kinetic study of the methane’s hydrogen abstraction by chlorine at a large temperature range (2025)
• EFFECT OF OPTIMIZATION SEQUENCE ON THE STRUCTURAL AND ELECTRONIC PROPERTIES OF IMPURITY ADDED C20 FULLERENE: A DFT ASSESMENT (2025)
• Investigation of single, double and triple boron modified fullerene-C60 for the controlled drug delivery, kinetic stability and sensitivity assessments of tegafur: DFT insights (2025)
• New Quinoline Derivatives as Potential Multitherapeutic Agents: A Facile Synthesis via an Epoxide Ring Opening Reaction, Characterization, DFT Calculations, and Molecular Docking (2025)
• DNA gyrase inhibition by Ni(II)-Schiff base complexes via in silico molecular docking studies: Spectroscopic, DFT calculations and in vitro pharmacological assessment (2025)
• Investigation of possible release mechanisms for flurbiprofen and ifosfamide drugs using multi-silicon decorated fullerene-C60: Computational insights (2025)
• Green Approach for Perfluocarboxylic Acids (PFCAs) Removal with Density Functional Theory (DFT) Insights: Peanut-Shell Biomass-Based Carbon Quantum Dots (PCQDs) Coupled with TiO2 Photocatalyst (2025)
• An Insight Into The Evaluation of The Interaction of Escitalopram And Aspirin With Dispersion-corrected And Dispersion-free Functionals: DFT And QTAIM Analyses (2025)
• B, Al and Si doping of fullerene-C60 and the limits of selective drug delivery assessments of ifosfamide: A DFT approach (2024)
• Atmospheric reaction of chlorine radical and cyclic amide: A theoretical approach (2024)
• Pyrazinamide-based Co(II), Ni(II) and Cu(II) complexes: DFT exploration of structure, reactivity properties and in silico ADMET profiles (2024)
• When Escitalopram is Surrounded by Ethanol: A DFT and QTAIM Approach to Analyze The Drug and The Alcohol Interactions and It’s Possible Outcomes (2024)
• Influence of paracetamol and remdesivir association on their anti-inflammatory/antiviral efficiency: A molecular docking approach (2024)
• Paracetamol and Remdesivir Interaction: DFT and Molecular Docking Studies (2024)
• Synthesis, Characterization, DFT Calculations, in vitro Biological Activities, and Molecular Docking Studies of Ni(II) Complexes of Dinitrogen-Oxygen Donor Ligand (2024)
• Spectroscopic characterization, DFT calculations, in vitro pharmacological potentials, and molecular docking studies of N, N, O-Schiff base and its trivalent metal complexes (2024)
• INVESTIGATION OF STRUCTURAL AND REACTIVITY PROPERTIES OF SOME HALOGENATED PIPERAZINES (2024)
• Experimental and computational insights into polymorphism in an antimicrobial sulfadrug: discovery of a novel monoclinic form of sulfamerazine (2024)
• Cadmium oxide nanoparticles from new organometallic Cd(II)-Schiff base complex and in vitro biological potentials: dual S. aureus and E. coli DNA gyrase inhibition by the precursors via in silico binding modes’ study (2024)
• GUANIDINE DELIVERY BY Si-DOPED C60 AND SWCNT: A DFT APPROACH (2024)
• Triple Inhibition of SARS‐CoV‐2 by Rhenium(I) Acetylacetonato Tricarbonyl Phosphine Complexes: Structural Features, DFT Calculations, HS Analysis and In Silico Molecular Docking Study (2024)
• Synthesis, Spectroscopic Characterization, Antibacterial Activity, Reactivity Parameters, and Molecular Docking Studies of Some Pyridazine Derivatives (2024)
• Assessing a double silicon decorated fullerene for the delivery of interacting flurbiprofen and salicylic acid drugs: A DFT approach (2023)
• An insight into the interaction of silicon decorated fullerene and single walled carbon nanotube towards umifenovir: DFT, QTAIM and molecular docking studies (2023)
• Interaction between escitalopram and ibuprofen or paracetamol: DFT and molecular docking on the drug–drug interactions (2023)
• The quest of the most stable structure of a carboxyfullerene and its drug delivery limits: A DFT and QTAIM approach (2023)
• A rhodanine derivative as a potential antibacterial and anticancer agent: Crystal structure, spectral characterization, DFT calculations, Hirshfeld surface analysis, in silico molecular docking and ADMET studies (2023)
• DENSITY FUNCTIONAL THEORY INVESTIGATION ON DRUG-DRUG INTERACTIONS: ESCITALOPRAM AND SALICYLIC ACID (2023)
• Ibuprofen and Paracetamol when They Meet: Quantum Theory of Atoms in Molecules Perspective (2023)
• Dual inhibition of S. aureus TyrRS and S. aureus gyrase by two 4-amino-4′-acetyldiphenyl sulfide-based Schiff bases: Structural features, DFT study, Hirshfeld surface analysis and molecular docking (2022)
• A convenient one-pot synthesis, theoretical studies, and NMR-based conformational analysis of nitroarylidene dimalonates (2022)
• Paracetamol adsorption on C60 fullerene and its derivatives: In silico insights (2022)
• Theoretical insights of the drug-drug interaction between favipiravir and ibuprofen: a DFT, QTAIM and drug-likeness investigation (2022)
• Theoretical Insights into the Drug-drug Interaction between Escitalopram and Ibuprofen (2022)
• Structural and spectroscopic properties of 3-halogenobenzaldehydes: DFT and TDDFT simulations (2021)
• Gamma Finder Cihazının Geliştirilmesi (2021)
• Tumor treating fields (TTF)” ve radyoterapi kombinasyonunun beyin tümörü ve normal doku hücre hatlarında etkinliği (2021)
• Effect of Predefined Scaling Factors on the Identification of Vibrational Wavenumber and Total Energy Distribution Values Calculated with Scaled Quantum Mechanics (2021)
• NONLINEAR OPTICAL AND SPECTRAL PROPERTIES OF HYDROQUINONE & FULLERENE SYSTEMS (2021)
• Interaction between favipiravir and hydroxychloroquine and their combined drug assessment: in silico investigations (2021)
• A new iridoid skeleton from Galium asparagifolium and biological activity studies (2021)
• Can the Antivirals Remdesivir and Favipiravir Work Better Jointly? In Silico Insights (2021)
• Quantum mechanical simulation of Molnupiravir drug interaction with Si-doped C60 fullerene (2021)
• A DENSITY FUNCTIONAL THEORY INVESTIGATION OF THE SURFACE INTERACTION OF PROPOFOL DRUG WITH SILICON DECORATED C60 FULLERENE (2021)
• Hydrogen storage and electronic properties of C20, C15M5 and H2@C15M5 (M = Al, Si, Ga, Ge) nanoclusters (2021)
• A comparative DFT study of tetracyanoquinodimethane and its difluoro and tetrafluoro analogs (2021)
• Yüksek Enerji Performanslı Yapılar (2020)
• Effect Of Tumor Treating Fields And Radiotherapy Combination On Brain Tumor And Normal Brain Cell Lines (2020)
• Effect Of Tumor Treating Fields And Radiotherapy Combination On Brain Tumor And Normal Brain Cell Lines (2020)
• Effect of 3d transition metal substitutional dopants and adatoms on mono layer TcS2 ab initio insights (2020)
• Investigation of detection and adsorption properties of β-propiolactone with silicon and aluminum doped fullerene C60 using density functional theory (2020)
• DENSITY FUNCTIONAL THEORY INVESTIGATION OF DOUBLE SILICON DECORATED FULLERENES AND SINGLE WALLED CARBON NANOTUBES FOR THE DETECTION AND ADSORPTION OF IBUPROFEN (2020)
• Non-covalent functionalization of single walled carbon nanotubes with pyrene pendant polyester: A DFT supported study (2020)
• Structural and spectroscopic properties of 3-halogenobenzaldehydes: DFT and TDDFT simulations (2020)
• Theoretical and experimental study of infrared spectral data of 2-bromo-4-chlorobenzaldehyde (2020)
• Gıdalarda karbondioksit tayini (2019)
• Theoretical investigation of the derivatives of favipiravir (T-705) as potential drugs for Ebola virus (2019)
• Sentezlenen Schiff Bazı İçeren Bileşiğin Yapısal ve SpektroskopikÖzelliklerinin Deneysel ve Teorik İncelenmesi (2019)
• Sensor application of doped C₆₀ fullerenes in detection of 1-(3-trifluoromethylphenyl)piperazine as an alternative to ecstasy (2019)
• Single and double silicon decoration of fullerene C60 and single walled carbon nanotubes for adsorption and detection of TNT (2019)
• DFT/QTAIM analysis of favipiravir adsorption on pristine and silicon doped C 20 fullerenes (2019)
• Sensor application of doped C-60 fullerenes in detection of 1-(3-trifluoromethylphenyl)piperazine as an alternative to ecstasy (2019)
• Theoretical insight of alpha amino acid phenylalanine adsorption on pristine and decorated fullerenes (2019)
• Adsorption of ibuprofen on silicon decorated fullerenes and single walled carbon nanotubes: A comparative DFT study (2019)
• Theoretical Analysis of Interaction Mechanism Between Silicon and Aluminiun Doped C60 Fullerenes and Phenylalanine (2018)
• Investigation and detection of chlorophenylpiperazine isomers with doped C20 fullerenes (2018)
• Application of Pristine and Doped C60 Fullerenes with Amantadine in Drug Delivery (2018)
• Adsorption of 6-Chloro-3-Hydroxy-2-Pyrazinecarboxamide on pristine and doped C60 fullerenes (2018)
• Electronic and Structural Properties of AlnC20-n (n = 1–5) Fullerenes (2018)
• Bazı fizik kavramlarının ekonomik karşılıklarının türetilmesi (2018)
• NMR determination of solvent dependent behavior and XRD structural properties of 4-carboxy phenylboronic acid: A DFT supported study (2018)
• Density functional theory study on the adsorption of valproic acid to doped fullerenes (2018)
• Theoretical investigation of the derivatives of favipiravir (T-705) as potential drugs for Ebola virus (2018)
• Conformational and electronic properties of hydroquinone adsorption on C60 fullerenes: Doping atom, solvent and basis set effects (2018)
• Interaction between doped C 60 fullerenes and piperazine-2,3,5,6-tetraone: DFT simulation (2018)
• Molecular, vibrational and electronic structure of 4-bromo-2-halogenobenzaldehydes: Halogen and solvent effects (2017)
• Sensor application of pristine and M-doped (m = Si, Al Or Ge) C60 fullerenes in 3-trifluoromethylphenylpiperazine drug detection (2017)
• Development of radiation warning device (PET Finder) (2017)
• Yüksek Enerji Performanslı Yapılar (2017)
• Theoretical and experimental vibrational spectroscopic study of 3X-thiophene-2-carbaldehyde [X=F, Cl or Br] (2017)
• A theoretical study on the interaction between undoped or doped (Si and Al) C60 fullerenes and piperazine-2,3,5,6-tetraone (2017)
• Theoretical investigation of the derivatives of favipiravir (T-705) as potential drugs for Ebola virus (2017)
• Effect of the Dopant Atom on the Electronic and Structural Properties of C20 Fullerenes (2017)
• Structure–property relation and third-order nonlinear optical studies of two new halogenated chalcones (2017)
• Supramolecular frame work in 4-(Methylsulfonyl)piperazin-1-ium 2,4,6-trinitrophenolate via hydrogen bond and π ··· π interactions (2017)
• Computational study on favipiravir adsorption onto undoped- and silicon-decorated C60 fullerenes (2017)
• Structural and spectroscopic parameters of C n F 2 + (n = 1–5): Insights using MP2/CBS method (2017)
• Interaction mechanisms and structural properties of MC19 (M = Si and Al) fullerenes with chlorophenylpiperazine isomers (2017)
• Adsorption mechanism, structural and electronic properties: 4-Phenylpyridine & undoped or doped (B or Si) C60 (2017)
• Adsorption Mechanisms of 6-Chloro-3-Hydroxy-2-Pyrazinecarboxamide on Pristine, Si- and Al-Doped C60 Fullerenes: A DFT Study (2017)
• New unsymmetrically substituted triazacyclohexanes: Synthesis, characterisation, antimicrobial properties and DFT study (2017)
• Solvent effects on the NH stretching of 1-(4-pyridyl)piperazine (2017)
• MC19 (M = B, Si, Al and Ga) fullerenes: Adsorption mechanisms of 1,4-diformylpiperazine (2017)

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