Browsing by Author "Yildiz, Resit"

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Citation - WoS: 53
Citation - Scopus: 56
Adsorption and inhibition effect of 2,4-diamino-6-hydroxypyrimidine for mild steel corrosion in HCl medium: experimental and theoretical investigation
(SPRINGER HEIDELBERG, 2019) Yildiz, Resit; Yıldız, Reşit; Department of Nutrition and Dietetics/ Beslenme ve Diyetetik Bölümü
2,4-Diamino-6-hydroxypyrimidine (2D6H) was examined as corrosion inhibitor of mild steel (MS) in 0.1M HCl using potentiodynamic measurements, linear polarization resistance (LPR), scanning electron microscopy, electrochemical experiments, and quantum chemical calculations. All measurements show that the corrosion inhibition effectiveness is forthright compared to the concentration of 2D6H ranging from 0.5 to 10.0mM. Adsorption of 2D6H on the MS surface in the presence of HCl is determined to obey Langmuir adsorption isotherm. The electronic features elucidated by quantum chemical calculations were associated with the experimental inhibition productivities. The mechanism of inhibition was revealed by E-pzc measurements.
Citation - WoS: 17
Citation - Scopus: 18
The Adsorption and Inhibition Efficiency of 2-Amino for Corrosion of Mild Steel in Hydrochloric Acid Solution
(Emerald Group Publishing Ltd, 2023) Okten, Veysi; Yildiz, Resit; Sigircik, Goekmen; Yıldız, Reşit; Department of Nutrition and Dietetics/ Beslenme ve Diyetetik Bölümü
PurposeThis study aims to prevent mild steel (MS) against corrosion in 0.5 M HCl solution, 2-amino-4-methoxy-6-methyl-1,3,5-triazine was used. The effectiveness of the compound as a corrosion inhibitor was studied via electrochemical, surface and theoretical calculation techniques. Design/methodology/approachFor concentrations ranging from 0.5 to 10.0 mM, almost similar polarization resistances were obtained from electrochemical impedance spectroscopy (EIS) and linear polarization resistance tests. It also investigated inhibitive activity of 2-amino-4-methoxy-6-methyl-1,3,5-triazine on the steel surface using scanning electron and atomic force microscope instruments. Langmuir adsorption is the best matched isotherm for the adsorption of the inhibitor to the steel surface. FindingsEIS method was used to determine inhibition efficiency, which was determined to be 95.7% for 10.0 mM inhibitor containing acid solution. Density functional theory's predictions for quantum chemistry agreed well with the other experimental results. Originality/valueThe methods used in this study are effective and applicable; the used organic inhibitor is 2-amino-4-methoxy-6-methyl-1,3,5-triazine; and protective effectiveness is important, which is crucial for the task of MS corrosion prevention.
Citation - WoS: 1
Citation - Scopus: 1
Comparison of New Secondgeneration H1 Receptor Blockers With Some Molecules; a Study Involving Dft, Molecular Docking, Admet, Biological Target and Activity
(Bmc, 2025) Unsal, Velid; Oner, Erkan; Yildiz, Resit; Mert, Basak Dogru; Yıldız, Reşit; Unsal, Velid; Department of Nutrition and Dietetics/ Beslenme ve Diyetetik Bölümü
Although the antiallergic properties of compounds such as CAPE, Melatonin, Curcumin, and Vitamin C have been poorly discussed by experimental studies, the antiallergic properties of these famous molecules have never been discussed with calculations. The histamine-1 receptor (H1R) belongs to the family of rhodopsin-like G-protein-coupled receptors expressed in cells that mediate allergies and other pathophysiological diseases. In this study, pharmacological activities of FDA-approved second generation H1 antihistamines (Levocetirizine, desloratadine and fexofenadine) and molecules such as CAPE, Melatonin, Curcumin, Vitamin C, ADMET (Absorption, Distribution, Metabolism, Excretion, Toxicity) profiles, density functional theory (DFT), molecular docking, biological targets and activities were compared by calculating. Since drug development is an extremely risky, costly and time-consuming process, the data obtained in this study will facilitate and guide future studies. It will also enable researchers to focus on the most promising compounds, providing an effective design strategy. Their pharmacological activity was carried out using computer-based computational techniques including DFT, molecular docking, ADMET analysis, biological targeting, and activity methods. The best binding sites of Desloratadine, Levocetirizine, Fexofenadine, CAPE, Quercetin, Melatonin, curcumin, Vitamin C ligands to Desmoglein 1, Human Histamine H1 receptor, IgE and IL13 protons were determined by molecular docking method and binding energy and interaction states were analyzed. Fexofenadine and Quercetin ligand showed the most effective binding affinity. Melatonin had the best Caco-2 permeability PPB values of Quercetin, CAPE and Curcumin were at optimal levels. On the OATP1B1 and OATP1B3 of curcumin and CAPE, Quercetin was found to have strong inhibition effects on BCRP. Melatonin and CAPE were found to have the highest inhibition values on CYP1A2, while CAPE had the highest inhibition values on CYP2C19 and CYP2C9. Vitamin C and Quercetin were found to be safer in terms of cardiac toxicity and mutagenic risks, while Desloratadine and Levocetirizine carried high risks of neurotoxicity and hematotoxicity, while CAPE was noted for its high enzyme inhibitory activities and low toxicity profiles, while the hERG blockade, DILI, and cytotoxicity values of other compounds pointed to various safety concerns. This study demonstrated the potential of machine learning methods in understanding and discovering H1 receptor blockers. The results obtained provide important clues in the development of important strategies in the clinical use of H1 receptor blockers. In the light of these data, CAPE and Quercetin are remarkable molecules.
Citation - WoS: 0
Citation - Scopus: 0
Comparison of Pde-5 Inhibitors Used in Erectile Dysfunction With Some Candidate Molecules: a Study Involving Molecular Docking, Admet, Dft, Biological Target, and Activity
(Bmc, 2025) Sağır, Süleyman; Unsal, Velid; Oner, Erkan; Yildiz, Resit; Mert, Basak Dogru; Department of Nutrition and Dietetics/ Beslenme ve Diyetetik Bölümü; Department of Surgical Medical Sciences / Cerrahi Tıp Bilimleri Bölümü
Erectile dysfunction (ED) is a urological condition defined as the inability of a man to achieve or maintain an erection. This condition negatively affects his sexual performance and the performance of his partner. Phosphodiesterase type 5 (PDE5) inhibitors are commonly used to treat ED. Arginase II plays an important role in regulating L-arginine to NO synthase in the smooth muscle of the human corpus cavernosum of the penis. NO is a molecule essential for regulating a variety of functions, including arterial blood pressure, penile erection, and energy balance. Substances such as vardenafil, alprostadil, papaverine, and resveratrol increase NO production, thereby supporting sexual function and vascular health. Additionally, NO donors such as L-arginine, L-citrulline, and alpha-lipoic acid provide effective alternatives when used in combination with PDE5 inhibitors. Medications used in the treatment of ED include vardenafil, alprostadil, and papaverine. In addition, although molecules such as L-arginine, citrulline, resveratrol, alpha-lipoic acid, and rutin are thought to play a role in ED, their pharmacological and molecular effects have not been sufficiently elucidated. The aim of this study was to investigate the effects of these molecules in the treatment of ED by computer-based calculations, to obtain new information about them and to inspire new treatment strategies for ED. The physicochemical, molecular and pharmacokinetic properties of the compounds were determined by SwissADME software, and ADMET (absorption, distribution, metabolism, excretion and toxicity) data were determined by ADMETlab 3.0 software. Biological target and activity data were obtained by MolPredictX and PASS Online software. While the Gaussian 09 program was used for DFT calculations, PyMOL, AutodockTools 4.2.6, AutoDock Vina, and Biovia Discovery programs were used for molecular docking studies. It was found that L-arginine, citrulline, resveratrol and alpha-lipoic acid were well absorbed from the intestine, while rutin showed limited absorption. When their metabolic risks were evaluated, L-arginine and citrulline were found to have lower toxicity. Molecular docking results of rutin and resveratrol were remarkable. The electronic properties of the compounds were explained by DFT calculations. L-arginine and citrulline were found to have low toxicity and positive therapeutic effects. L-arginine and citrulline stand out as promising candidates for future research. Although resveratrol data are promising, unfortunately their potential toxicity and metabolic interactions require further investigation. It is important to learn more about these compounds or conduct research to improve their therapeutic efficacy. Although computer-based calculations play an important role in toxicity predictions, drug interactions, pharmacokinetics and toxicity properties should be carefully evaluated.
Citation - WoS: 10
Citation - Scopus: 10
A Comprehensive Analysis Of Arum Dioscoridis Plant Leaf Extract as a Corrosion Inhibitor for Mild Steel in 1 M Hcl: Synthesis, Characterization, Surface Analysis Observations, Experimental and Dft Studies
(Elsevier, 2025) Doner, Ali; Yildiz, Resit; Arslanhan, Selim; Baran, Mehmet Firat; Yıldız, Reşit; Department of Nutrition and Dietetics/ Beslenme ve Diyetetik Bölümü; Baran, Mehmet Fırat; Department of Nutrition and Dietetics/ Beslenme ve Diyetetik Bölümü; Department of Medical Services and Techniques / Tıbbi Hizmetler ve Teknikleri Bölümü
Background: Corrosion occurs wherever metal and its alloys exist. Protection of metals with corrosion inhibitor is a popular topic. Considering environmental concerns and human health, it is more favorable to use green corrosion inhibitors than traditional corrosion inhibitors. Methanol extract of Arum dioscoridis (AD) becomes a potential green corrosion inhibitor and it can be used in industrial areas. Methods: Corrosion efficiency, corrosion behavior and corrosion mechanism of Arum dioscoridis leaf extract on mild steel (MS) are illuminated in 1 M HCl by Tafel curves, electrochemical impedance spectroscopy (EIS), linear polarization resistance (LPR), zero charge potential, structural and surface morphological analysis and density functional theory (DFT). Significant findings: The extract function as mixed-type corrosion inhibitor with predominantly cathodic action. Inhibition efficiency was reached the value of 97 %. Polarization resistance is measured as 761 Omega cm2 at 1000 ppm of AD. The high inhibition efficiency was attributed to phytochemicals in the AD extract. A high activation energy (70.34 kJ/mol) for inhibited solution than that of in blank solution (49.66 kJ/mol). Both physisorption and chemisorption are responsible for formation of a protective layer on MS surface to inhibit the electrochemical reactions. Optimized molecular structures in phytochemicals confirmed the inhibitive properties via DFT.
Citation - WoS: 4
Citation - Scopus: 4
Evaluation of Extra Virgin Olive Oil Compounds Using Computational Methods: in Vitro, Admet, Dft, Molecular Docking and Human Gene Network Analysis Study
(Bmc, 2025) Unsal, Velid; Yildiz, Resit; Korkmaz, Aziz; Mert, Basak Dogru; Caliskan, Cemile Gunbegi; Oner, Erkan; Yıldız, Reşit; Unsal, Velid; Korkmaz, Aziz; Günbegi Çalışkan, Cemile; Department of Nutrition and Dietetics/ Beslenme ve Diyetetik Bölümü; Department of Medical Services and Techniques / Tıbbi Hizmetler ve Teknikleri Bölümü
This study investigates the phenolic compounds (PC), volatile compounds (VC), and fatty acids (FA) of extra virgin olive oil (EVOO) derived from the Turkish olive variety "Sar & imath; Ulak", along with ADMET, DFT, molecular docking, and gene network analyses of significant molecules identified within the EVOO. Chromatographic methods (GC-FID, HPLC) were employed to characterize FA, PC, and VC profiles, while quality parameters, antioxidant activities (TAC, ABTS, DPPH) were assessed via spectrophotometry. The analysis revealed a complex composition of 40 volatile compounds, with estragole, 7-hydroxyheptene-1, and 3-methoxycinnamaldehyde as the primary components. Hydroxytyrosol, tyrosol, oleuropein, apigenin, ferulic acid, and vanillic acid emerged as main phenolic constituents, with hydroxytyrosol and apigenin exhibiting high bioavailability. Molecular docking highlighted oleuropein and pinoresinol as compounds with strong binding affinities, though only hydroxytyrosol, apigenin, and pinoresinol fully met Lipinski and other drug-likeness criteria. DFT analysis showed that oleuropein and pinoresinol have notable dipole moments, reflecting polar and asymmetrical structures. KEGG enrichment analysis further linked key molecules like oleuropein and apigenin with pathways related to lipid metabolism and atherosclerosis, underscoring their potential bioactivity and relevance in health-related applications.
Citation - WoS: 16
Citation - Scopus: 15
Inhibition Efficiency of Pyrazinecarboxylic Acid on Mild Steel in Acidic Environment
(Taylor & Francis Ltd, 2021) Kelesoglu, Aysen; Sigircik, Gokmen; Yildiz, Resit; Dehri, Ilyas; Yıldız, Reşit; Department of Nutrition and Dietetics/ Beslenme ve Diyetetik Bölümü
Pyrazinecarboxylic acid (PCA) was examined as a potential corrosion inhibitor for mild steel (MS) in 0.5 M HCl environment. The methods of electrochemical impedance spectroscopy (EIS), linear polarization resistance (LPR), as well potentiodynamic (PD) polarization were utilized. Furthermore, atomic force microscopy (AFM) and quantum chemical calculations were utilized. PD polarization curves demonstrated that PCA exhibited mixed inhibitor behavior. Scanning electron microscopy (SEM) offered the creation of an adsorptive layer on the surface of MS which prevented the steel against corrosive specimens. Furthermore, density functional theory (DFT) presented good agreement with electrochemical experimental results. The adsorption equilibrium constant (k(ads)) value was calculated to be 3.704 x 10(4) M-1 which was related to a high proportion of inhibitor on the surface. In the presence of 1.0 mM PCA, inhibition efficiency was determined as 95.2% from EIS results.
Citation - WoS: 3
Citation - Scopus: 4
lavandula Angustifolia Extract as a Green Corrosion Inhibitor for Protection of Mild Steel in Hcl Acid Solution
(Maik Nauka/interperiodica/springer, 2024) Arslanhan, Selim; Sigircik, Gokmen; Yildiz, Resit; Baran, Mehmet Firat; Yıldız, Reşit; Baran, Mehmet Fırat; Department of Nutrition and Dietetics/ Beslenme ve Diyetetik Bölümü; Department of Medical Services and Techniques / Tıbbi Hizmetler ve Teknikleri Bölümü
A new Lavandula angustifolia extract was prepared to investigate the anti-corrosion effect against mild steel in corrosive environment. Inhibitory performance of green extract was examined in detail with electrochemical, morphological, as well as quantum chemical calculation analyses. The effects of inhibitor concentration and exposure time were examined to describe the inhibition behavior. Physical and chemical adsorption kinds happen between the surface of the steel and Lavandula angustifolia extract. Furthermore, surface analysis studies were applied to justify the formation of protective adsorption coating occurred on the surface of steel. Quantum chemical calculation results are also in good consistent with other experimental outcomes.
Citation - WoS: 14
Citation - Scopus: 16
Protection of Mild Steel From Corrosion in Hcl Solution Via Green Rumex Acetosella Extract: Experimental and Theoretical Studies
(Elsevier, 2024) Arslanhan, Selim; Sigircik, Gokmen; Yildiz, Resit; Baran, Mehmet Firat; Yıldız, Reşit; Baran, Mehmet Fırat; Department of Nutrition and Dietetics/ Beslenme ve Diyetetik Bölümü; Department of Medical Services and Techniques / Tıbbi Hizmetler ve Teknikleri Bölümü
The efficiency and potential of green Rumex acetosella extract (RAE) RAE ) on the inhibition of the mild steel (MS) corrosion were investigated in the acidic environment. The high inhibitive capability of RAE on the mild steel was studied by electrochemical impedance spectroscopy (EIS) and linear polarization resistance (LPR) techniques. In addition, potentiodynamic (PD) polarization measurements were carried out to examine corrosion mechanism. The achieved electrochemical tests showed that RAE has a significant inhibition effect on mild steel corrosion. The results of surface analysis recorded by scanning electron microscopy (SEM), and atomic force microscopy (AFM) depicted that RAE provide strong protective layer on the steel surface via adsorptive groups. The inhibition efficiency was calculated as 99.7 %, and 99.6 % from LPR and EIS after 120 h exposure time. Adsorption free energy ( Delta G oads ) value is found as-29.79 kJ mol-1,- 1 , indicating that both physical and chemical adsorptions occur. Furthermore, the obtained experimental findings were supported with quantum chemical calculation results.
Citation - WoS: 18
Citation - Scopus: 19
Theoretical and experimental investigations on corrosion control of mild steel in hydrochloric acid solution by 4-aminothiophenol
(EMERALD GROUP PUBLISHING LTD, 2019) Yildiz, Resit; Mert, Basak Dogru; Yıldız, Reşit; Department of Nutrition and Dietetics/ Beslenme ve Diyetetik Bölümü
Purpose This paper aims to study inhibitory effect of 4-aminothiophenol on the corrosion of mild steel (MS) in 0.5 M HCl. Design/methodology/approach In this study, electrochemical experiments, quantum chemical calculations, potentiodynamic measurements, linear polarization resistance and scanning electron microscopy were used. Findings The experimental results suggest that this compound is efficient corrosion inhibitor and the inhibition efficiencies increase with increasing their (from 0.5 to 10.0 mM.) concentrations. This reveals that inhibitive actions of inhibitors were mainly due to adsorption on mild steel surface. The adsorption of these inhibitors was found to obey Langmuir adsorption model. The computed quantum chemical features show good correlation with empirical inhibition efficiencies. Originality/value The 4-aminothiophenol is suitable inhibitor for application in closed-circuit systems against corrosion. The study is original and has great impact in industrial area. The obtained theoretical results have been adapted with the experimental data.
Citation - WoS: 0
Citation - Scopus: 0
Thorough Examination of Polygonum Aviculare L. Plant Leaf Extract as a Green Corrosion Inhibitor for Mild Steel in 1m Hcl: Synthesis, Characterization, Observations From Surface Analysis, Experimental and Dft Studies
(Elsevier, 2025) Baran, Mehmet Fırat; Yildiz, Resit; Doner, Ali; Baran, Mehmet Firat; Department of Medical Services and Techniques / Tıbbi Hizmetler ve Teknikleri Bölümü
Some industrial applications such as oil well acidification, steel pickling, acid descaling and chemical cleaning are carried out in acid environments. During these processes, corrosion of steel is inevitable. This study focuses on the extraction and corrosion behavior of Polygonum aviculare L. (PA) leaf extract as a novel corrosion inhibitor and developing a highly effective, eco-system friendly corrosion inhibitor for mild steel (MS). Corrosion behavior and mechanism of PA leaf extract are revealed on MS in 1 M HCl by Tafel curves, electrochemical impedance spectroscopy (EIS), linear polarization resistance (LPR), zero charge potential, structural and surface analysis and density functional theory (DFT). According to findings, FT-IR results reflected some groups such as -OH, -CH, C-O, C=C, C=O and ether. LC-ESI-MS/MS detected the phenolic acids, flavonoids, phytosteroids and phenolic aldehyde characterized as phytochemicals. PDP, EIS and LPR underscored that corrosion current densities decreased to 0.06 mA cm-2, polarization resistances increased to 457 ohm cm2 and inhibition efficiency increased to 96 %. In the comparison of the inhibition efficiency with the literature, PA extract exhibited outstanding corrosion inhibition efficiency (96 %). The adsorption property of PA extract matched the Langmuir process. PA extract showed an adsorption layer even at high temperatures. This behavior is confirmed by a high value of Ea (53.04 kJ/mol). Almost smooth, more compact, and homogenous surfaces were revealed by SEM. Molecules of phytochemicals in PA extract showed both physical and chemical adsorption. These interactions reduced the MS deterioration from corrosion. According to quantum chemical calculation, chlorogenic acid had the highest corrosion inhibitor efficiency among the other phytochemicals. The findings obtained from this study have the potential to contribute to the advancement of sustainable corrosion protection strategies and can provide basic guidance for industrial applications.
Citation - WoS: 5
Citation - Scopus: 5
Trans-Chalcone Attenuate Arsenic-Induced Toxicity in 3t3 Embryonic Fibroblast Cells; An In Vitro And In Silico Study
(Elsevier, 2024) Unsal, Velid; Yildiz, Resit; Cicek, Mustafa; Gungor, Meltem; Kurutas, Ergul Belge; Yıldız, Reşit; Unsal, Velid; Department of Nutrition and Dietetics/ Beslenme ve Diyetetik Bölümü
This study investigated the curative role of trans-chalcone, a flanovide, against arsenic toxicity using in vitro and computer-based analyses. MTT and LDH methods were used to assess the cytotoxicity and viability of cells, spectrophotometric methods to evaluate SOD, GSH-px, MDA and PC biomarkers, and ELISA method to evaluate TNF-a IL-1(3 levels. Bax, Bcl-2 levels and Caspase-3 activity were measured by qRT-PCR technique, while TUNEL staining was performed to detect DNA breaks and DAPI staining was performed to visualize nuclear changes. In addition, computer-based analyses of trans-chalcone and Dimercaprol molecules were analyzed using SwissADME, ADMETlab, DFT web tools. Trans-chalcone treatment rescued 3T3 embryonic fibroblast cells, reduced oxidative stress. Again, trans-chalcone treatment showed positive effects on TNF-alpha, IL-1(3 levels and apoptotic markers. In conclusion, trans-chalcone showed antioxidant, anti-inflammatory, and anti-apoptotic effects against cellular toxicity caused by arsenic, as well as DFT, ADMET, drug similarity, molecular docking profiles predicted trans-chalcone to be a promising ligand. This research, based on in vitro and in silico analyses, may be useful in the development of promising drug(s) to reduce toxicity.