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  • MakaleAçık Erişim2026Scopus SJRQ2
    Antioxidant capacity and α-glucosidase inhibitor activity of Bryonia aspera extracts and its major constituent p-coumaric acid: Phytochemical analysis, biological evaluation and computational approach

    Tuncay, Salih; Karasakal, Ömer Faruk; Açar, Mikail; Toptancı, İsra; Şenol, Halil; Çırak, Olgun; Işık, Mesut; Beydemir, Şükrü

    This study comprehensively investigated the phenolic composition, antioxidant potential, and α-glucosidase inhibitory properties of B. aspera Steven ex Ledeb. extracts using integrated in vitro and in silico approaches. LC-MS/MS analysis identified seven major phenolic compounds, caffeic acid, chlorogenic acid, galangin, gallic acid, naringenin, p-coumaric acid, and rutin, with p-coumaric acid being the most abundant (306.71 mg/kg in aerial and 155.56 mg/kg in root extracts). Both extracts exhibited strong antioxidant and α-glucosidase inhibitory activities, particularly the aerial extract (IC50 = 0.678 and 0.173 for DPPH, ABTS, respectively and 0.022 mg/mL for α-glucosidase inhibition). Molecular docking and MM-GBSA analyses supported these findings, showing that p-coumaric acid had the strongest binding to α-glucosidase (–7.783 kcal/mol, ΔG = –47.76 kcal/mol), stabilized by key interactions with Asp-62, Arg-200, His-332, and Arg-400. A 250 ns molecular dynamics simulation confirmed the stability of the complex, and in silico ADME analysis revealed good oral absorption (67%) and compliance with Lipinski’s rule. Overall, results indicate that p-coumaric acid is the primary bioactive compound contributing to the antioxidant and α-glucosidase inhibitory activity of B. aspera, with promising potential as a natural lead for α-glucosidase inhibition.

    • SDG 3 · Sağlık ve Kaliteli Yaşam
  • MakaleAçık Erişim2025Scopus SJRQ2
    Synthesis and characterization of oligomers contain phenylhydrazyne unit via oxidative polycondensation: Adsorption studies, kinetic modeling and validation methods

    Bayır, Erdal; Solmaz, Adnan; Kaya, İsmet; Yağmur, Hatice Karaer

    In this study, 4-((2-phenylhydrazono)methyl)benzene-1,2-diol (4-PHBD) Schiff base was obtained from the condensation reaction between 3,4-dihydroxybenzaldehyde (3,4-DHBA) and phenylhydrazine (PH). The obtained Schiff base (4-PHBD) was polymerized using H2O2, NaOCl, and O2 oxidants in an aqueous basic medium (10 % KOH) and 4-PHBD was converted to o-(4-PHBD)-P (by H2O2 oxidant), o-(4-PHBD)-H (by NaOCl oxidant) and o-(4-PHBD)-O (by O2 oxidant). The structures of Schiff base and oligomers were characterized with FT-IR, NMR, SEM, TGA, UV-Vis, CV and GPC measurements. The Cyclic Voltammetry and UV-Vis measurements were used to ascertain the compounds' optical (Eg) and electrochemical (Eg’) band gaps, respectively. The Eg values of o-(4-PHBD)-P, o-(4-PHBD)-O and o-(4-PHBD)-H were found be 2.99, 2.63 and 3.26 eV, respectively. o-(4-PHBD)-O was used as an adsorbent in the removal of methylene green (MG) from an aqueous solution. The obtained data were applied to pseudo-first order and pseudo-second order kinetic models. It was determined that the adsorption process obeyed the pseudo first order kinetic model. The kinetic model was validated with R2, RMSE, SSE, SD, Δqe (%), MSE and ARE validation methods. The activation energy (Ea) was calculated as 7.31 kJ mol−1 using the Arrhenius equation. It was determined that the adsorption of MG on o-(4-PHBD)-O was physical adsorption.

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  • MakaleAçık Erişim2025Scopus SJRQ2
    Advanced synthesis and comprehensive characterization of nanoparticle-reinforced epoxy-based biocomposites derived from modified palm oil

    Şahal, Hakan; Aydoğmuş, Ercan; Canpolat, Erdal; Kaya, Mehmet

    In this research, new biocomposites were synthesized by two-step modification of palm oil (MPO). The raw material (MPOSA) was epoxidized in the first step and obtained by reacting with 4,4-diaminodiphenyl sulfone in the second step. Silicon carbide (SiC), MPOSA, bisphenol A diglycidyl ether, and epoxy resin were used to obtain the biocomposites. After this process, necessary physical tests and chemical analyses were performed. Fourier transform infrared spectroscopy (FTIR) and scanning electron microscope (SEM) analyses were used to characterize the biocomposites. The research included measurements of bulk density, Shore D hardness, thermal conductivity, and thermal stability of the biocomposite. The results indicated that MPOSA reinforcement decreased the bulk density of the biocomposite in proportion to the doping level, and Shore D hardness tests revealed a decrease in hardness with the addition of MPOSA. The increase in MPOSA reinforcement also led to a reduction in the thermal conductivity coefficient. In experimental studies, the optimum reinforcement ratio was determined as 1 wt.% nano-SiC, 10 wt.% glass fiber, and 10 wt.% MPOSA. Excessive MPOSA reinforcement adversely affected the matrix structure and pore distribution of the nanocomposite due to aggregation due to increased intermolecular interaction. Thermal decomposition results showed that MPOSA reinforcement reduced the activation energy of the nanocomposite. This study successfully developed an economical, environmentally friendly, and easily processed biocomposite and contributed to the development of functional and sustainable alternatives.

    • SDG 12 · Sorumlu Üretim ve Tüketim
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  • MakaleYayıncıda açık erişim2024Scopus SJRQ2
    Controlling of electro-optical properties of cobalt phthalocyanine formed single chain polymer: Sudan III and nanographene based its composites

    Demirelli, Kadir; Barım, Esra; Tuncer, Hülya; Dere, Ayşegül; Canbay, Canan Aksu; Karaduman, Oktay; Al-Sehemi, Abdullah G.; Al-Ghamdif, Ahmed A.; Yakuphanoğlu, Fahretttin

    The synthesis of poly[4-(4-vinylbenzyl)oxy)phthalonitrile-co-styrene] [P(VBOPN5 %-co-St)] was carried out by free radical polymerisation at 60 °C. The successful formation of a green coloured single-chain polymer molecule with the formation of cobalt phthalocyanine (SCP-CoPc) was performed at 140–150 °C in the presence of dilute cyclohexanol. The characterization of SCP-CoPc was confirmed by FT-IR and UV/vis spectroscopic techniques. The absorption filtration process of the SCP-CoPc polymer/Sudan III composite was investigated. The introduction of Sudan III into the SCP-CoPc polymer matric strongly affected the optical transmission spectrum of the composite films. The optical transmission measurements of the SCP-CoPc/Sudan III thin film show a high absorption in the visible region (400–800 nm). In the SCP-CoPc/Sudan III composites, the optical band gaps (Eg1 and Eg2) of each of its components has changed significantly. The Eg1 and Eg2 were found to be between 1.90 and 2.83 eV, respectively. Depending on the sudan III content, a wide range from 600 nm to 730 nm indicates complete absorption filtration. The dc electrical conductivity and dielectric behavior of the SCP-CoPc/Nanografene (NG) 6 wt% nanocomposite increased with increasing temperature. From the dc conductivity plot, the Ea values of I. and II. regions were found to be 0.75 eV and 0.27 eV, respectively and it was found that the calculated activation energy obeyed the Arrhenius relationship. The refractive index and the optical permittivity of SCP-CoPc/NG 6 wt% have been estimated.

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  • MakaleYalnız künye2023Scopus SJRQ2
    Zinc(II) phthalocyanine substituted by sulfonamide derivative: Photophysical and photochemical properties

    Şahal, Hakan

    Synthesis of two different new compounds, (E)-4-((2‑hydroxy-3‑methoxy-5-nitro benzylidene)amino)-N-(pyridine-2-yl)benzenesulfonamide 1, (E)-4-((2-(3,4-dicyanophenoxy )-3‑methoxy-5-nitrobenzylidene)amino)-N-(pyridine-2-yl)benzenesulfonamide2and 2(3),9(10),16(17),23(24)-tetrakis-[(E)-4-((3‑methoxy-5-nitro-2-(λ1-oxidanyl)benzylidene) amino)-N-(pyridine-2-yl)benzene sulfonamid] zinc(II) phthalocyanine complex 3 was carried out. Their structures were characterized by spectroscopic methods such as Fourier transform infrared, Proton nuclear magnetic resonance, Carbon-13 nuclear magnetic resonance, Ultraviolet-visible, Fluorescence, Matrix-assisted laser desorption/ionization, Time-of-flight mass (except compounds 1 and 2), as well as Elemental analysis. The spectroscopic, photophysical, and photochemical properties of zinc(II) phthalocyanine complex 3, substituted with new benzenesulfonamide derivatives containing different functional groups, were explored in dimethylsulfoxide to determine its usability as a photosensitizer for photodynamic therapy. The effects of the presence of tetra-substituted new benzenesulfonamide groups from the peripheral positions of the zinc(II) phthalocyanine ring on the spectroscopic, photophysical, and photochemical properties were investigated and these properties were compared with the properties of the substituted and unsubstituted zinc(II) phthalocyanines. As a photosensitizer for photodynamic therapy, this new phthalocyanine 3 has well solubility in different kinds of solvents without aggregation sufficient fluorescence properties, ability to produce singlet oxygen, and photostability under appropriate light irradiation.

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  • MakaleAçık Erişim2023Scopus SJRQ2
    Binary PCL–waste photopolymer blends for biodegradable food packaging applications

    Gürler, Nedim; Pekdemir, Mustafa Ersin; Torğut, Gülben; Kök, Mediha

    The aim of this study is to prepare waste photopolymer (WPP) / poly ɛ-caprolactone (PCL) blends that can be used in food packaging with different ratios (5%, 10%, 20% and 30%) WPP. The structural properties of the blend films were characterized by attenuated total reflection-fourier transform infrared spectroscopy (ATR-FTIR), thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). Opacity, surface color, water vapor permeability and shape memory properties of these films were examined. Pure PCL film exhibited more thermal stability compared to PCL/WPP blend films. Therewithal, the glass transition temperature of the pure PCL film showed a shift. Water vapor permeability improved with the addition of WPP. L*, a* and transmittance values reduced with increasing WPP, but b* value increased. It was thought that these polymer blends would enable to be used as packaging material in terms of compatibility and waste evaluation.

    • SDG 12 · Sorumlu Üretim ve Tüketim
    AtıfScopus14WoS13OpenAlex14
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  • MakaleYalnız künye2021Scopus SJRQ2
    Synthesis and in silico studies of Novel Ru(II) complexes of Schiff base derivatives of 3-[(4-amino-5-thioxo-1,2,4-triazole-3-yl)methyl]-2(3H)-benzoxazolone compounds as potent Glutathione S-transferase and Cholinesterases Inhibitor

    Adiguzel, Ragip; Türkan, Fikret; Yildiko, Ümit; Aras, Abdülmelik; Evren, Enes; Onkol, Tijen

    Novel Ru(II) complexes of Shiff base derivatives of 3-[(4-amino-5-thioxo-1,2,4-triazole-3-yl)methyl]-2(3H)-benzoxazolone were synthesized. The ligands (1a-e) were confirmed by IR, 1H NMR, and 13C NMR spectra (only 1b and 1c). Structures of the synthesized Ru(II) complexes (2a-e) were illuminated by elemental analysis, IR, 1H NMR, 13C NMR, and mass spectra. As the biological studies, the inhibitory potency of the ligands and the novel synthesized complexes were evaluated against the glutathione S-transferase (GST), acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) enzymes in vitro conditions. Ki values in the range of 26.87-47.63 µM for AChE, 23.51-42.81 µM for BChE, and 33.14-51.73 µM for GST, respectively. The free binding energy of most active inhibitors against AChE, BChE, and GST enzymes were detected as -10.183 kcal/mol, -9.111 kcal/mol, and -6.097 kcal/mol, respectively. All compounds docked were observed to bind in the active site of the enzymes with similar binding orientation and binding interactions with the surrounding amino acids.

    AtıfScopus31OpenAlex34
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  • MakaleAçık Erişim2021Scopus SJRQ2
    Electrical investigation on Eu+3- doped copolymer composite system and conventional kinetic analysis

    Pıhtılı, Güzin; Biryan, Fatih

    Poly(maleic anhydride-co-benzyl methacrylate) copolymer was prepared by using free radical polymerization (FRP) method at 70 °C. The structural characterization of the polymer was accomplished FT-IR, 1H and 13C NMR spectroscopic techniques. P(MA-co-BMA)/ EuCl3 composites were prepared rate of 2%, 5% and 10% (wt/wt). The thermal behavior of pure copolymer was investigated by thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). Thermal decomposition kinetics of poly(MA-co-BMA) carried out from Flynn–Wall–Ozawa method via TG curves for calculated apparent activation energies. According to FWO; the activation energy (Ea) was estimated as; 185.61 kJ/mol. Dielectric and electrical properties of copolymer/composite systems were investigated against frequency (range from 100 Hz to 20 kHz) at room temperature by using an impedance analyzer. The effect of EuCl3 concentration on dielectric constant, dielectric loss factors, ac conductivity, susceptance (B) and impedance (Z) was investigated. A remarkable increase was observed in dielectric and AC electrical properties were observed with the addition of Eu+3 to the polymer matrix. The B and Z parameters of poly(MA-co-BMA) and composites were investigated depending on frequency at room temperature based on the alternating current (AC).

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  • MakaleAçık Erişim2021Scopus SJRQ2
    Investigation of spectroscopic, thermal, and biological properties of FeII, CoII, ZnII, and RuII complexes derived from azo dye ligand

    Turan, Nevin; Buldurun, Kenan; Adiguzel, Ragip; Aras, Abdülmelik; Turkan, Fikret; Bursal, Ercan

    In this study, the novel azo dye FeII, CoII, ZnII, and RuII complexes with an azo dye ligand (L: (E)-4-((4-methoxyphenyl)diazenyl)-3-methyl-1H-pyrazol-5-amine) were synthesized. The structures of the complexes were characterized by FT-IR, elemental analysis, UV-Vis, mass spectra (FeII and CoII), NMR spectra (only diamagnetic ZnII and RuII), thermogravimetric and differential thermal analysis (TGA-DTA). All of the newly synthesized compounds were tested for their biochemical properties, including enzyme inhibitory and antioxidant activities. According to the in vitro ABTS, DPPH, CUPRAC, and FRAP antioxidant methods, the ligand and its metal complexes showed close antioxidant activities to the standards (BHA, BHT, ascorbic acid, and α-tocopherol). Enzyme inhibitions of the metal complexes were investigated against glutathione S-transferase (GST), acetylcholinesterase (AChE), and butyrylcholinesterase (BChE) enzymes. The best inhibition values (Ki) were observed for Ru(II) complex against GST (14.36 ± 2.16 µM), AChE (16.86 ± 2.74 µM), and BChE (14.12 ± 2.04 µM).

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  • MakaleYalnız künye2020Scopus SJRQ2
    Metallic nanoparticles as X-Ray computed tomography (CT) contrast agents: A review

    Aslan, Naim; Ceylan, Burhan; Koç, Mümin Mehmet; Findik, Fehim

    X-ray computed tomography vastly used in both medical purposes and in the research of biological and non-biological materials/samples. Some of the medical applications performed in the clinics requires special protocols where contrast agents may be needed to enhance the contrast. Iodine based contrast agents are commonly used in such applications. Iodine based contrast agents were found hazardous to the environment and some patients has iodine in tolerance due to thyroid origin diseases. Scientists from different fields try to develop contrast agents which can be an alternative to iodine based contrast agents. Metallic nanoparticles have potential to be used as CT contrast agent since metals has high X-ray attenuation and high density. Metal nanoparticles considered as toxic to the living organisms. Covering nanoparticles with organic molecule often reduce toxicity and enhance the biocompatibility. Decoration of nanoparticles with function groups give them targeting properties where special organ and/or tissue can be targeted. Up to now, different studies illustrated the importance of the multipurpose properties of the metallic nanoparticles. In this report, we assessed the metal nanoparticles reported as X-ray computed tomography contrast agent. For the first time in the literature we listed in vivo contrast enhancement, targeted drug delivery and dual/multipurpose imaging properties of each metallic nanoparticles. Therapeutic effects of metallic nanoparticles such as photothermal therapy and magnetic hyperthermia were also addressed. A chart showing relative contrast enhancement properties of the nanoparticles were produced.

    • SDG 3 · Sağlık ve Kaliteli Yaşam
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Tam Kayıt
AlanDeğerDil
creativeworkseries.issn0022-2860
dc.date.accessioned2026-10-28T14:53:56.486269701Z
dc.date.available2026-10-28T14:53:56.486269701Z
dc.identifier.urihttps://rdlopen.rawdatalibrary.net/r/munzur/1146
dc.publisherElsevier B.V.
dc.rightsinfo:eu-repo/semantics/openAccess
dc.titleJournal of Molecular Structure