Turkish Journal of Chemistry最新文献

{"title":"Synthesis and photooxygenation of 3-(<i>p</i>-substituted phenyl)-3a,8a-dihydro-<i>4H</i>-cyclohepta[d]isoxazoles: facial selectivity.","authors":"Mahire Emel Olgun, Abdullah Menzek, Ertan Şahin, Yasin Çetinkaya","doi":"10.55730/1300-0527.3688","DOIUrl":"https://doi.org/10.55730/1300-0527.3688","url":null,"abstract":"<p><p>Two 3-(<i>p</i>-substituted phenyl)-3a,8a-dihydro-4<i>H</i>-cyclohepta[d]isoxazoles were synthesized by 1,3-dipolar cycloaddition of the corresponding nitrile oxides with cycloheptatriene. Two endoperoxides were synthesized as facially selective and single products in high yields (93%-95%) from the reactions of isoxazole derivatives with singlet oxygen. The exact configurations of the endoperoxide with a methyl group in the phenyl ring and the diol synthesized from it were confirmed by X-ray analysis. To elucidate the mechanism, the formation energy of the endoperoxide was investigated by simulations using the software package Gaussian 09 and density functional theory calculations via the M06-2X/6-311+G(d,p) level method in dichloromethane. The results were consistent with experimental findings showing the formation of isoxazole products.</p>","PeriodicalId":23367,"journal":{"name":"Turkish Journal of Chemistry","volume":"48 4","pages":"691-700"},"PeriodicalIF":1.3,"publicationDate":"2024-05-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11407366/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142296518","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Theoretical study on the insertion reaction of the stannylenoid H₂SnLiF with X-H bonds (X = N, O, F).","authors":"Shuo Wu, Bingfei Yan, Shaoli Liu, Wenzuo Li","doi":"10.55730/1300-0527.3671","DOIUrl":"https://doi.org/10.55730/1300-0527.3671","url":null,"abstract":"<p><p>The insertion reactions of p-complex (RP) and three-membered ring configuration (RS) of stannylenoid H₂SnLiF with NH₃, H₂O and HF have been studied theoretically by quantum chemical calculation. The structures of reactants, precursors, transition states, intermediates and products have been fully optimized at the M06-2X/def2-TZVP level. The single point energy of all fixed points were calculated using the QCISD method. The calculation results show that the three-membered ring configuration is easier to conduct the insertion reaction. Comparing the reaction energy barriers of RP, RS to NH₃, H₂O and HF, we found that the difficulty of the insertion reaction is NH₃ > H₂O > HF. The solvent corrected calculation results show that in THF, the reaction energy barrier of RP is lower than that in vacuum, while the reaction energy barrier of RS is higher. This work provides theoretical support for the reaction properties of stannylenoid.</p>","PeriodicalId":23367,"journal":{"name":"Turkish Journal of Chemistry","volume":"48 3","pages":"448-458"},"PeriodicalIF":1.3,"publicationDate":"2024-05-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11265926/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141761219","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Photocatalytic degradation of methylene blue using a Cu²⁺-modified bimetallic titanium-based metal organic framework (MIL-125) photocatalyst with enhanced visible light activity.","authors":"Gülsüm Özçelik, Ferda Civan Çavuşoğlu, Şahika Sena Bayazit, Şeyma Özkara Aydinoğlu","doi":"10.55730/1300-0527.3695","DOIUrl":"https://doi.org/10.55730/1300-0527.3695","url":null,"abstract":"<p><p>Cu-modified TiO₂ nanoparticles derived from MIL-125 were prepared by solvothermal method for the photocatalytic degradation of methylene blue under visible light illumination. For boosting the photocatalytic performance as well as the physicochemical properties of bare sample, 2 wt % Cu²⁺ ions were integrated into the nodes of the MIL-125 framework. The results showed that incorporation of 2 wt % Cu²⁺ ions into the MOF framework had significant effects on the crystallographic structure and morphological and optical properties of photocatalytic samples, as well as catalytic activity for the methylene blue degradation reaction. The high activity profile of Cu-modified TiO₂ nanoparticles derived from MIL-125 might be attributed to the increased thermal stability, lower band gap energy, and smaller crystallite size of the sample. Activity tests were carried out at five varying MB initial concentrations and four different pH values. According to the findings, an increase in initial dye concentration resulted in a decrease in degradation efficiency. It was observed that increasing the pH value in the range of 3-11 initially led to higher degradation rates until pH 7, after which the degradation rate began to decline.</p>","PeriodicalId":23367,"journal":{"name":"Turkish Journal of Chemistry","volume":"48 5","pages":"756-769"},"PeriodicalIF":1.3,"publicationDate":"2024-04-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11539909/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142606526","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"DFT modeling of water-assisted hydrogen peroxide formation from a C(4a)-(hydro)peroxyflavin.","authors":"Yılmaz Özkiliç","doi":"10.55730/1300-0527.3673","DOIUrl":"https://doi.org/10.55730/1300-0527.3673","url":null,"abstract":"<p><p>The cofactor of a class A monooxygenase is reduced at an external location of the enzyme and is subsequently pulled back into the active site after the reduction. This observation brings the question; is there any defense mechanism of the active site of a monooxygenase against the formation of the harmful hydrogen peroxide from the reactive C(4a)-(hydro)peroxide intermediate? In this study, the barrier energies of one to three water molecule-mediated uncoupling reaction mechanisms in water exposed reaction conditions were determined. These were found to be facile barriers. Secondly, uncoupling was modeled in the active site of kynurenine 3-monooxygenase complex which was represented with 258 atoms utilizing cluster approach. Comparison of the barrier energy of the cluster model to the models that represent the water exposed conditions revealed that the enzyme does not have an inhibitory reaction site architecture as the compared barrier energies are roughly the same. The main defense mechanism of KMO against the formation of the hydrogen peroxide is deduced to be the insulation, and without this insulation, the monooxygenation would not take place as the barrier height of the hydrogen peroxide formation within the active site is almost half of that of the monooxygenation.</p>","PeriodicalId":23367,"journal":{"name":"Turkish Journal of Chemistry","volume":"48 3","pages":"470-483"},"PeriodicalIF":1.3,"publicationDate":"2024-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11265908/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141761204","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Liquefaction optimization of grape pulp using response surface methodology for biopolyol production and bio-based polyurethane foam synthesis.","authors":"Furkan Çolakoğlu, Emre Akdoğan, Murat Erdem","doi":"10.55730/1300-0527.3680","DOIUrl":"https://doi.org/10.55730/1300-0527.3680","url":null,"abstract":"<p><p>Both environmental and economic disadvantages of using petroleum-based products have been forcing researchers to work on environmentally friendly, sustainable, and economical alternatives. The purpose of this study is to optimize the solvothermal liquefaction process of grape pomace using response surface methodology coupled with a central composite design. After investigating the physicochemical properties of the liquified products (biopolyol) in detail, a bio-based rigid polyurethane foam (RPUF) was synthesized and characterized. The hydroxyl and acid numbers and viscosity values of all the biopolyols were analyzed. According to variance analysis results (%95 confidence range), both the reaction temperature and catalyst loading were determined as significant parameters on the liquefaction yield (LY). The model was validated experimentally in the following reaction conditions: 4.25% catalyst loading, 50 min reaction time, and 165 °C reaction temperature, which yields an LY of 81.3%. The biopolyols produced by the validation experiment display similar characteristics (hydroxyl number: 470.5 mg KOH/g; acid number: 2.31 mg KOH/g; viscosity: 1785 cP at 25 °C) to those of commercial polyols widely preferred in the production of polyurethane foam. The physicochemical properties of bio-based foam obtained from the biopolyol were determined and the thermal conductivity, closed-cell content, apparent density, and compressive strength values of bio-based RPUF were 31.3 mW/m·K, 71.1%, 33.4 kg/m³, and 105.3 kPa, respectively.</p>","PeriodicalId":23367,"journal":{"name":"Turkish Journal of Chemistry","volume":"48 4","pages":"568-581"},"PeriodicalIF":1.3,"publicationDate":"2024-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11407332/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142296505","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis, characterization, and physico-chemical aspects of a new PVC-based quaternary triethanol ammonium chloride anionite for tungsten recovery.","authors":"Bahig Atia","doi":"10.55730/1300-0527.3678","DOIUrl":"https://doi.org/10.55730/1300-0527.3678","url":null,"abstract":"<p><p>The usability of polyvinyl chloride-based quaternary triethanol ammonium chloride anionite (PVC-TEAC) as a potential extractant for tungstate was investigated to recover tungstate from Gabal Qash Amir, Egypt, assaying 70.91% WO₃. Structure elucidation for PVC-TEAC anionite was successfully carried out using several techniques. Experimental measurements, such as pH, agitation time, initial tungsten concentration, anionite dose, co-ions, temperature, and eluting agents, have been optimized. It was found that PVC-TEAC anionite has a maximum capacity of 63 mg per gram. From the distribution isotherm modeling, Langmuir's model fits the experimental results better than Freundlich's, with a theoretical value of 61.728 mg g^-1. According to kinetic modeling, the first- and second-order modeling may be regarded as a mixed modeling for a successful adsorption system. Thermodynamic prospects reveal that the adsorption process was predicted as an exothermic, spontaneous, and preferable adsorption at low temperatures. Tungsten ions can be eluted from the loaded anionite, by 1M H₂SO₄ with a 97% efficiency rate. It was found that PVC-TEAC anionite reveals good separation factor (S.F.) towards most of co-ions. A successful Alkali fusion with NaOH flux followed by tungstate recovery by PVC-TEAC anionite is used to obtain a high-purity tungsten oxide concentrate (WO₃), with a tungsten content of 78.3% and a purity of 98.75%.</p>","PeriodicalId":23367,"journal":{"name":"Turkish Journal of Chemistry","volume":"48 4","pages":"524-549"},"PeriodicalIF":1.3,"publicationDate":"2024-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11407338/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142296520","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Transdermal delivery system to release phthalocyanine photosensitizers for the potential treatment of skin cancer with PDT.","authors":"Meryem Çamur Demir, Fatma Kurşun Baysak, Caner Yahya Boyar, Alihan Toksoy, Fatih Algi","doi":"10.55730/1300-0527.3665","DOIUrl":"https://doi.org/10.55730/1300-0527.3665","url":null,"abstract":"<p><p>This research aims to examine the transdermal release of water-soluble indium and zinc metallo phthalocyanine (InPc and ZnPc) compounds from the poly(vinyl alcohol) (PVA) membrane and the cytotoxicity effect of these Pcs on normal mouse fibroblasts (L929 fibroblast) and human melanoma (SK-MEL-30) cells. For this purpose, the effects of temperature, pH, drug concentration and membrane thickness on transdermal release were investigated in order to obtain the optimum transdermal release profile by preparing PVA membranes with different thicknesses and crosslinked by heat treatment. Optimum drug release was found to be 85.36% using 6 μm thick PVA membrane at 37 ± 0.5 °C, when upper cell pH 1.2 and lower cell pH 5.5, for 3 mg/mL InPc drug concentration. Under the same conditions, the drug release value for ZnPc was found to be 69.78%. In addition, in vitro studies were performed on L929 and SK-MEL-30 cells. under optimized drug (InPc and ZnPc) and membrane conditions. It was found that no significant cytotoxic effect was observed in L929 and SK-MEL-30 cells in the dark. Photodynamic tests were also carried out with InPc and ZnPc. The results show that cell viability decreases in SK-MEL-30 cells at concentrations of 10 μg/mL and above. In addition, while the InPc IC50 value was determined as 4.058 μg/mL, this value was determined as 11.574 μg/mL for ZnPc.</p>","PeriodicalId":23367,"journal":{"name":"Turkish Journal of Chemistry","volume":"48 2","pages":"376-386"},"PeriodicalIF":1.3,"publicationDate":"2024-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11265854/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141761201","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring the efficiency of nitrogenated carbon quantum dots/TiO₂ S-scheme heterojunction in the photodegredation of ciprofloxacin in aqueous environments.","authors":"Yılmaz Ateş, Zafer Eroğlu, Özkan Açişli, Önder Metin, Semra Karaca","doi":"10.55730/1300-0527.3679","DOIUrl":"https://doi.org/10.55730/1300-0527.3679","url":null,"abstract":"<p><p>In this study, we developed a heterojunction photocatalyst, namely nitrogen-doped carbon quantum dots/titanium dioxide (<i>N-</i>CQDs/TiO₂), for the effective and sustainable treatment of ciprofloxacin (CIP) antibiotic in aqueous solution. First, <i>N-</i>CQDs were prepared from a chitosan biopolymer with a green, facile, and effective hydrothermal carbonization technique and then anchored on the TiO₂ surface via a hydrothermal process. The morphological, structural, and optical properties of the as-prepared materials were characterized by using advanced analytical techniques. The impacts of the mass percentage of <i>N</i>-CQDs, catalyst and CIP concentration, and pH on photocatalytic CIP degradation were investigated in depth. Comparative analyses were performed to evaluate different processes including adsorption, photolysis, and photocatalysis for the removal of CIP with TiO₂ and <i>N-</i>CQDs/TiO₂. The results revealed that <i>N</i>-CQDs/TiO₂ exhibited the highest CIP removal efficiency of up to 83.91% within 120 min using UVA irradiation under optimized conditions (10 mg/L CIP, 0.4 g/L catalyst, and pH 5). Moreover, the carbon source used in the fabrication of <i>N</i>-CQDs was also considered, and lower removal efficiency was obtained when glucose was used as a carbon source instead of chitosan. This excellent improvement in CIP degradation was attributed to the ideal separation and migration of photogenerated carriers, strong redox capability, and high generation of reactive oxygen species provided by the successful construction of the <i>N-</i>CQDs/TiO₂ S-scheme heterojunction. Scavenger experiments indicated that h⁺ and •OH reactive oxygen species were the predominant factors for CIP elimination in water. Overall, this study presents a green synthesis approach for <i>N</i>-CQDs/TiO₂ heterojunction photocatalysts using natural materials, demonstrating potential as a cost-effective and efficient method for pharmaceutical degradation in water treatment applications.</p>","PeriodicalId":23367,"journal":{"name":"Turkish Journal of Chemistry","volume":"48 4","pages":"550-567"},"PeriodicalIF":1.3,"publicationDate":"2024-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11407339/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142296502","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Antiviral and cytotoxic activities and chemical profiles of two species of <i>Abies nordmanniana</i> from Türkiye.","authors":"Nazlı Sarikahya, Gaye Sümer Okkali, Furkan O Çöven, Sevda Zeinali, Gülce Gucur, A Dila Çağlar, Ece Uyar, Ahmet C Gören, Ayşe Nalbantsoy","doi":"10.55730/1300-0527.3670","DOIUrl":"https://doi.org/10.55730/1300-0527.3670","url":null,"abstract":"<p><p><i>Abies</i> is an important genus of the family Pinaceae, with about 50 species found in the highlands of Asia, Europe, North Africa, and North and Central America. The principal aim of the present work was to investigate the chemical content and biological potential of the resin and cone from <i>Abies nordmanniana</i> subsp. <i>bornmulleriana</i> and <i>Abies nordmanniana</i> subsp. <i>equi-trojani</i>, respectively. The flavonoid and phenolic contents of the resin and cones were evaluated using liquid chromatography-high resolution mass spectrometry (LC-HRMS). Additionally, the essential oil and fatty acid compositions were analyzed using gas chromatography-mass spectrometry (GC-MS) and gas chromatography-flame ionization detector (GC-FID), respectively. Cytotoxicity of the extracts and essential oils were screened against certain cancer cell lines, namely, human prostate adenocarcinoma cell line (PC3), human lung adenocarcinoma cell line (A549), human pancreatic cancer cell line (PANC-1), human hepatocellular carcinoma cell line (HepG2), human breast cancer cell line (MDA-MB231), and normal human lung fibroblast cell line (CCD-34-LU), with MTT [3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-2H-tetrazolium bromide] assay. According to the MTT results, hexane extracts of both cone (CH) and resin (RH), ethanol-water (CEW), dichloromethane (CD), and acetone (CA) extracts of the cone mostly inflict cytotoxicity in HepG2 cell line. Antiviral activities of <i>Abies nordmanniana</i> subsp. extracts at doses of 5 μg/g and 10 μg/g were also evaluated in ovo for their virucidal activity against avian coronavirus. <i>Abies nordmanniana</i> subsp. extracts exhibited concentration-dependent antiviral activity on specific pathogen-free embryonated chicken eggs. Significantly, cone acetone extract (CA), cone ethanol extract (CE), and cone dichloromethane extract (CD) of <i>Abies nordmanniana</i> subsp. exhibited strong inhibition of the virus at a concentration of 10 μg/g. The most potent virucidal activity was observed with ethanol-water extract of conifer form (CEW). According to these results, it was proved that <i>Abies nordmanniana</i> species could be a potential, sustainable, and renewable drug source, especially considering the impressive antiviral and significant cytotoxic activity potentials.</p>","PeriodicalId":23367,"journal":{"name":"Turkish Journal of Chemistry","volume":"48 3","pages":"436-447"},"PeriodicalIF":1.3,"publicationDate":"2024-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11265925/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141761202","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Rapid synthesis of azoindolizine derivatives via aryldiazonium salts.","authors":"Ferruh Lafzi","doi":"10.55730/1300-0527.3675","DOIUrl":"https://doi.org/10.55730/1300-0527.3675","url":null,"abstract":"<p><p>A practical, rapid, and efficient method for the synthesis of azoindolizine derivatives via aryldiazonium salts with excellent yields was reported. Firstly, the corresponding aniline derivatives were synthesized via a simple and rapid method. Then, the optimal reaction conditions were investigated using a variety of protic and aprotic solvents that demonstrating the robustness of the approach. Finally, the applicability of this method to various sources of indolizine and phenyldiazonium tetrafluoroborate salts was expanded.</p>","PeriodicalId":23367,"journal":{"name":"Turkish Journal of Chemistry","volume":"48 3","pages":"506-511"},"PeriodicalIF":1.3,"publicationDate":"2024-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11265887/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141763993","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}