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Antioxidant, acetylcholinesterase and butyrylcholinesterase inhibition profiles of histamine Schiff bases 组胺席夫碱对抗氧化剂、乙酰胆碱酯酶和丁酰胆碱酯酶的抑制作用
Q3 Chemistry Pub Date : 2019-06-15 DOI: 10.18596/JOTCSA.521291
Suleyman Akocak, Nabih Lolak, Muhammed Tuneğ, M. Boğa
In this work, a series of histamine Schiff bases H(1-20) were synthesized by reacting histamine and substituted aldehydes A(1-20) . The compounds were assayed for antioxidant properties by using different bioanalytical methods such as DPPH free radical scavenging assay, ABTS cation radical decolarization, cupric reducing antioxidant capacity (CUPRAC) and metal chelating methods. The acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibition profiles were also assessed. In general, the synthesized compounds showed weak antioxidant activity against all tested methods, but some of the compounds showed great inhibition potency against AChE and BChE enzymes. Specifically, compound H9 showed effective inhibition potency against both enzymes with % inhibition of 97.03 and 93.64, respectively.
本工作通过组胺与取代醛a(1-20)反应合成了一系列组胺席夫碱H(1-20。通过不同的生物分析方法,如DPPH自由基清除法、ABTS阳离子自由基脱极化法、铜还原抗氧化能力法和金属螯合法,测定了化合物的抗氧化性能。还评估了乙酰胆碱酯酶(AChE)和丁酰胆碱酯酶(BChE)的抑制谱。通常,合成的化合物对所有测试方法都表现出较弱的抗氧化活性,但一些化合物对AChE和BChE酶表现出很大的抑制效力。具体而言,化合物H9对这两种酶都显示出有效的抑制效力,抑制率分别为97.03和93.64。
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引用次数: 13
Molecular Docking Study of Four Chromene Derivatives as Novel HIV-1 Integrase Inhibitors 四种铬衍生物作为新型HIV-1整合酶抑制剂的分子对接研究
Q3 Chemistry Pub Date : 2019-06-15 DOI: 10.18596/JOTCSA.478772
N. Arslan
Four ligands based on chromene derivatives have been docked into integrase of prototype foamy virus, which has a quite similar structural similarity with that of HIV-1 integrase using Autodock Vina (Vina). The docking scores for the derivatives are -7.3 kcal/mol, -7.5 kcal/mol, -6.9 kcal/mol, and -7.2 kcal/mol, respectively, which are comparable with that for Raltegravir (-10.7 kcal/mol). The docking results provide a detailed evidence for the interactions of four chromene derivatives. The results may lead to the design and development of new drug candidates against AIDS
利用Autodock Vina (Vina)将四种基于铬烯衍生物的配体对接到原型泡沫病毒的整合酶上,该病毒与HIV-1整合酶具有相当相似的结构相似性。衍生物的对接分数分别为-7.3 kcal/mol、-7.5 kcal/mol、-6.9 kcal/mol和-7.2 kcal/mol,与raltegravity的对接分数(-10.7 kcal/mol)相当。对接结果为四种铬衍生物的相互作用提供了详细的证据。这一结果可能会导致新的抗艾滋病候选药物的设计和开发
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引用次数: 3
A Novel ZnO Nanoparticle as Drug Nanocarrier in Therapeutic applications: Kinetic Models and Error Analysis 一种新型ZnO纳米颗粒作为药物纳米载体在治疗中的应用:动力学模型和误差分析
Q3 Chemistry Pub Date : 2019-06-15 DOI: 10.18596/JOTCSA.405505
S. Karakuş
Nanotechnology provides promising possibilities for several biomedical and pharmaceutical  applications in the medicine industry. Nanostructures play a major role in the recent strategies of  technology suitable for novel drug applications. In this work, clindamycin phosphate (CliP) (topical anti-inflammatory drug), xanthan gum (XaG) (biopolymer) and ZnO (zinc oxide) (nanoparticle) nanostructures were synthesised using the sonochemical technique at room temperature. The characterization of the clindamycin phosphate- xanthan gum/ZnO (CliP-XaG/ZnO) nanostructure has been carried out by Fourier transform infrared (FTIR) and X-ray diffraction (XRD). The spectroscopic experiments elucidated in vitro the mechanism of drug delivery system at different pH media (1.2 and 7.4). In this study, the concentration of drug in the solution was analyzed by UV–vis spectroscopy method and several kinetic models and error analysis were calculated to prove a connection with results. The Higuchi model had the best correlation parameters. The percentage of swelling ratio (%) reached up 105% in XaG (pH 1.2) and 190% in XaG/ZnO (pH 1.2) And the swelling ratio (%) reached up 530% within in XaG (pH 7.4) and 655% within in XaG/ZnO (pH 7.4). The results show that the capacity of XaG / ZnO can be preferred as a novel topical anti-inflammatory drug carrier.
纳米技术为医药工业中的几种生物医学和制药应用提供了有希望的可能性。纳米结构在适合新型药物应用的最新技术策略中发挥着重要作用。在这项工作中,使用声化学技术在室温下合成了克林霉素磷酸(CliP)(局部抗炎药),黄原胶(XaG)(生物聚合物)和氧化锌(纳米颗粒)纳米结构。利用傅里叶变换红外(FTIR)和x射线衍射(XRD)对克林霉素磷酸黄原胶/ZnO (CliP-XaG/ZnO)纳米结构进行了表征。光谱学实验阐明了不同pH(1.2和7.4)介质下给药系统的体外机制。本研究采用紫外-可见光谱法对溶液中的药物浓度进行了分析,并计算了几种动力学模型和误差分析,以证明与结果有联系。Higuchi模型的相关参数最好。在XaG (pH值为1.2)和XaG/ZnO (pH值为1.2)溶液中溶胀率分别达到105%和190%,在XaG (pH值为7.4)溶液中溶胀率分别达到530%和655%。结果表明,XaG / ZnO的容量可以作为一种新的局部抗炎药物载体。
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引用次数: 4
Study on the Synthesis and Characterization of Antibacterial Polystyrenes 抗菌聚苯乙烯的合成与表征研究
Q3 Chemistry Pub Date : 2019-06-15 DOI: 10.18596/JOTCSA.547471
G. Acik
In the present work, a series of quaternized antibacterial polystyrenes (Anti-PSts) with various molecular weights are synthesized and characterized. Initially, ω-bromo end functional polystyrenes with different molecular weights (PSt-Br-1, PSt-Br-2 and PSt-Br-2) are synthesized by atom transfer radical polymerization (ATRP). Then, the ω–bromo functionalities of obtained PSt-Brs are reacted with trimethylamine (TEA) to achieve corresponding antibacterial properties. PSt-Brs and Anti-PSts produced are structurally characterized by Fourier transform infrared spectroscopy (FT-IR), proton nuclear magnetic resonance spectroscopy ( 1 H-NMR), and gel permeation chromatography (GPC) at various stages. Glass transition temperatures ( T g ) of PSt-Brs and Anti-PSts are determined by differential scanning calorimetry (DSC) analysis. Water contact angle measurement (WCA) is employed for the wettability characterization studies of Anti-PSts. In addition, antibacterial activity of final products against to Gram-positive ( Staphylococcus aureus ) and Gram-negative ( Escherichia coli ) bacteria is elucidated in terms of molecular weight and quaternization reaction time.
本工作合成并表征了一系列不同分子量的季铵化抗菌聚苯乙烯。最初,通过原子转移自由基聚合(ATRP)合成了不同分子量的ω-溴端官能聚苯乙烯(PSt-Br-1、PSt-Br-2和PSt-Br--2)。然后,将获得的PSt-Brs的ω-溴官能团与三甲胺(TEA)反应,以获得相应的抗菌性能。通过傅立叶变换红外光谱(FT-IR)、质子核磁共振光谱(1H-NMR)和凝胶渗透色谱(GPC)在不同阶段对所产生的PSt-Brs和Anti-PSt进行结构表征。通过差示扫描量热法(DSC)分析测定了PSt-Brs和Anti-PSt的玻璃化转变温度(Tg)。水接触角测量(WCA)被用于抗PSts的润湿性表征研究。此外,从分子量和季铵化反应时间方面阐明了最终产物对革兰氏阳性(金黄色葡萄球菌)和革兰氏阴性(大肠杆菌)细菌的抗菌活性。
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引用次数: 4
Essential Oil Composition Of Two Scutellaria species from Tokat, Turkey 土耳其托卡特两种黄芩的精油成分
Q3 Chemistry Pub Date : 2019-06-15 DOI: 10.18596/JOTCSA.466906
M. Kürkçüoǧlu, Gülsüm Yıldız, Y. Köse
The genus Scutellaria L. (Lamiaceae) is represented in Turkey by 16 species, 1 natural hybrid, 38 taxa, 16 being endemic in Turkey (1,2) . Hydrodistilled essential oils of the aerial parts of Scutellaria altissima L. and Scutellaria orientalis L. subsp. pinnatifida Edmondson were analyzed by GC and GC-MS systems, simultaneously. The oil of S. altissima contained β-caryophyllene (34.7 %), caryophyll-5-en-12-al (14.4%), linalool (14.3%) and hexadecanoic acid (7.1%) as main constituents. The oil of S. orientalis L. subsp. pinnatifida was characterized by the occurrence of germacrene D (56.9%), β-caryophyllene (10.5%) and bicyclogermacrene (10.1%) as major components. To the best of our knowledge, this is the first report on the GC and GC/MS determination of the essential oil composition of the S. altissima and S. orientalis subsp. pinnatifida species studied.
黄芩属(Lamiaceae)在土耳其有16个物种,1个自然杂交种,38个分类群,16个为土耳其特有种(1,2)。文章介绍了黄芩和东方黄芩地上部分的加氢蒸馏精油。采用气相色谱-质谱联用系统对羽状复叶埃德蒙森进行了分析。高羊茅油中主要含有β-石竹烯(34.7%)、石竹-5-烯-12-al(14.4%)、芳樟醇(14.3%)和十六烷酸(7.1%)。东方S.orientalis L.subsp。羽状半裂的主要成分为germacrene D(56.9%)、β-石竹烯(10.5%)和双环木烯(10.1%)。据我们所知,这是首次用GC和GC/MS法测定高脚松和东方松的精油成分。研究的羽状半裂植物种类。
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引用次数: 6
The Comparison of the Quality Properties of Some Commercial Cold Pressed Seed Oils 几种商品冷榨种子油品质特性的比较
Q3 Chemistry Pub Date : 2019-06-15 DOI: 10.18596/JOTCSA.496458
Hazal Özyurt
In this study, it is aimed to define the properties which determine their effects on the quality and health of five different kinds of seed oils produced by the cold pressed extraction method. The cold pressed seed oils known as coffee bean, pomegranate, cherry, apricot, and fig kernels which are produced in the domestic market of Turkey were bought to determine the quality characteristics such as peroxide values, free fatty acidity, and UV-specific absorption values, total phenolic compounds and antioxidant activity of these seed oils. When the peroxide values were examined, the highest peroxide value was found in coffee bean oil and the lowest peroxide value was found in pomegranate seed oil. When the free fatty acidity is considered, the number of free fatty acids is ranked from the highest to the lowest as coffee bean oil, fig kernel oil, sour cherry seed oil, pomegranate seed oil, and apricot kernel oil. The K 232 value was found to be the highest in coffee bean oil while it was the lowest in apricot kernel oil. K 270 values were the highest in pomegranate seed and the lowest in the apricot kernel. As seen in the results of the total phenolic compound analysis performed to recognize the effects on health, this value was highest in coffee bean oil, followed by apricot kernel oil, fig kernel oil, pomegranate seed oil, and sour cherry seed oil. When the results antioxidant activity analysis were examined, the antioxidant activity of apricot kernel oil was found to be the lowest, while this value of fig kernel oil was found to be the highest. According to the analysis of variance, these differences were statistically found to be significant. In addition, these values were compared with the studies in the literature and evaluated according to the legal limits. These products sold on the grounds that they have beneficial effects on health in the market should be implemented with more stringent procedures to be audited by public institutions and legal regulations should be supported by further scientific studies.
在本研究中,旨在确定冷榨提取法生产的五种不同籽油的性质,这些性质决定了它们对质量和健康的影响。购买土耳其国内市场上生产的冷榨籽油,如咖啡豆、石榴、樱桃、杏子和无花果仁,以确定这些籽油的质量特征,如过氧化值、游离脂肪酸和紫外线比吸收值、总酚类化合物和抗氧化活性。当检测过氧化值时,在咖啡豆油中发现最高过氧化值,在石榴籽油中发现最低过氧化值。当考虑游离脂肪酸时,游离脂肪酸的数量从最高到最低依次为咖啡豆油、无花果仁油、酸樱桃籽油、石榴籽油和杏子油。K232值在咖啡豆油中最高,在杏仁油中最低。K270值在石榴籽中最高,在杏仁中最低。如为识别对健康的影响而进行的总酚类化合物分析结果所示,咖啡豆油中的这一值最高,其次是杏仁油、无花果仁油、石榴籽油和酸樱桃籽油。当检测抗氧化活性分析结果时,发现杏仁油的抗氧化活性最低,而无花果仁油的该值最高。根据方差分析,这些差异在统计学上是显著的。此外,将这些值与文献中的研究进行了比较,并根据法律限制进行了评估。这些以对健康有益为理由在市场上销售的产品应采用更严格的程序,由公共机构进行审计,法律法规应得到进一步科学研究的支持。
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引用次数: 6
METAL-ORGANIC FRAMEWORKS (MOFs) DERIVED FROM CARBOXYLATE LIGAND AS POTENTIAL MATERIALS FOR REMEDIATION OF Cu (II) AND Pb (II) FROM AQUEOUS SOLUTION 摘要由羧酸配体衍生的金属有机骨架(MOFs)作为修复水溶液中Cu (II)和Pb (II)的潜在材料
Q3 Chemistry Pub Date : 2019-06-15 DOI: 10.18596/JOTCSA.454010
H. Okoro, Oluwaseyi Ayika, A. Tella, J. Ngila
The remediation of cadmium and lead ions from their respective aqueous solutions was carried out with the use of metal-organic frameworks (MOFs) developed from copper and zinc with benzene-1,4-dicarboxylic acid (BDC). The experimental adsorption process was done in batches to determine the equilibrium characteristics, thermodynamics and kinetics of the sorption processes. The result was then tested using Langmuir, Freundlich, and Temkin isotherm equations with Langmuir being the best fitted isotherm, while the kinetics isotherm used were pseudo first order and pseudo second order. The result obtained shows that the MOFs are great potential adsorbent for the studied metals.
使用由铜和锌与苯-1,4-二羧酸(BDC)开发的金属有机骨架(MOFs),从各自的水溶液中修复镉和铅离子。实验吸附过程是分批进行的,以确定吸附过程的平衡特性、热力学和动力学。然后使用Langmuir、Freundlich和Temkin等温线方程对结果进行测试,Langmuir是拟合最好的等温线,而所使用的动力学等温线是伪一阶和伪二阶。结果表明,MOFs对所研究的金属具有很大的吸附潜力。
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引用次数: 2
Synthesis, molecular structure, Hirshfeld surface analysis, spectroscopic and computational studies (DFT) of 6,6'-((1E,1'E)-(1,2-phenylenebis(azanylylidene))bis(methanylylidene))bis(2-(tert-butyl)-4-methylphenol) 6,6'-((1E, 1E)-(1,2-苯基双(azanylylidene)) -(2-(叔丁基)-4-甲基苯酚)的合成、分子结构、Hirshfeld表面分析、光谱和计算研究(DFT)
Q3 Chemistry Pub Date : 2019-06-15 DOI: 10.18596/JOTCSA.483143
P. Şen, S. Kansız, N. Dege
Schiff bases have been used in biological processes and as chelating agents for several decades. This work presents the synthesis and characterization of compound, N,N’-Bis(3-tert-Butyl-5-methylsalicylidene)-1,2-diamino phenylene as the Schiff base derivative with the reaction of an aromatic aldehyde derivative and o-phenylenediamine. The spectroscopic properties of the compound were examined by FT-IR, 1 H NMR, 13 C NMR,  MS and elemental analyses. The molecular structure of the compound was also confirmed using X-ray single-crystal data. And also theoretical calculations were obtained by using Density Functional Theory (DFT) methods. T he structural parameters were calculated by using DFT/B3LYP/6-31G(d,p) basis set in ground state. Molecular Electrostatic Potential (MEP) map and the frontier molecular orbitals (HOMO-LUMO) of the compound were created by using the optimized structures. The results of theoretical study using the DFT method at the B3LYP/6–31G(d,p) level are in good agreement with the experimental data . Hirshfeld surface analyses and two dimensional fingerprint plots were used to analyse the intermolecular interactions present in the crystal, indicating that the most important contributions for the crystal packing are from H ∙∙∙ H (71.2%), H ∙∙∙ C/C ∙∙∙ H (18.7%), C ∙∙∙ C (4.8%) and H ∙∙∙ N/N ∙∙∙ H (2.7%) interactions.
希夫碱在生物过程和螯合剂中的应用已有几十年的历史。本文通过芳香醛衍生物与邻苯二胺的反应,合成并表征了席夫碱衍生物N,N’-双(3-叔丁基-5-甲基亚水杨基)-1,2-二氨基亚苯基。通过FT-IR、1H NMR、13C NMR、MS和元素分析对化合物的光谱性质进行了表征。使用X射线单晶数据也证实了该化合物的分子结构。并用密度泛函理论(DFT)方法进行了理论计算。用DFT/B3LYP/6-31G(d,p)基组在基态下计算了结构参数。利用优化的结构建立了化合物的分子静电势(MEP)图谱和前沿分子轨道(HOMO-LUMO)。使用DFT方法在B3LYP/6–31G(d,p)水平上的理论研究结果与实验数据吻合良好。Hirschfeld表面分析和二维指纹图用于分析晶体中存在的分子间相互作用,表明对晶体堆积最重要的贡献来自H∙∙H(71.2%)、H∙・∙C/C∙∙H(18.7%)、C∙・C(4.8%)和H∙╱N/N∙H.(2.7%)相互作用。
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引用次数: 0
Voltammetric Analysis of Cephalexin and Cefazoline in Pharmaceutical Formulation and Biological Samples 制剂和生物样品中头孢氨苄和头孢唑啉的伏安分析
Q3 Chemistry Pub Date : 2019-06-15 DOI: 10.18596/JOTCSA.469028
S. Özkorucuklu, Besnik Uka, Gizem Yıldırım Baştemur
In this study, the electrochemical behaviors of cephalexin and cefazoline on disposable pencil graphite electrode were investigated in phosphate buffer at pH of 4.5 to 6.0 by differential pulse voltammetry. Sample analysis was performed in phosphate buffer at the optimum medium determined for each sample. Validation parameters were studied to show the correctness, sensitivity, and consistency of the method developed for the cephalosporins. It was concluded that disposable pencil graphite electrode could be used effectively in the determination of cephalosporins. The limits of detection (S/N=3) were found to be 0.115 mM and 0.303 mM, for cephalexin and cefazoline, respectively. The analysis of these compounds in pharmaceutical formulations and biological samples was carried out at defined optimum conditions. The recovery values were around 100%.
本研究采用微分脉冲伏安法研究了头孢氨苄和头孢唑林在pH4.5至6.0的磷酸盐缓冲液中在一次性铅笔石墨电极上的电化学行为。样品分析在磷酸盐缓冲液中,在为每个样品确定的最佳培养基下进行。对验证参数进行了研究,以表明头孢菌素方法的正确性、敏感性和一致性。结果表明,一次性笔形石墨电极可用于头孢菌素类药物的测定。头孢氨苄和头孢唑林的检测限(S/N=3)分别为0.115 mM和0.303 mM。在确定的最佳条件下对药物制剂和生物样品中的这些化合物进行分析。回收率约为100%。
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引用次数: 9
Morphological and rheological study of the epoxy polymer and their nanocomposite (NGTHTPTBAE/MDA/TSP) crosslinked by methylene dianiline and formulated by trisodium phosphate 亚甲基二苯胺交联磷酸三钠制备环氧聚合物及其纳米复合材料(NGTHTPTBAE/MDA/TSP)的形态和流变学研究
Q3 Chemistry Pub Date : 2019-06-15 DOI: 10.18596/JOTCSA.477191
R. Hsissou, M. Berradi, M. E. Bouchti, A. Harfi
The present work consists the elaboration and the rheological behaviors of nanocomposite (NGTHTPTBAE/MDA/TSP) in the presence of the epoxy resin nanoglycidyl trihydrazine 4.4.4-tripropoxy tribisphenol A of ethylene (NGTHTPTBAE), methylene dianiline (MDA) and trisodium phosphate (TSP) used as filler. Furthermore, we have studied the performance of nanocomposites (NGTHTPTBAE/MDA/TSP) crosslinked by methylene dianiline and formulated by trisodium phosphate at different percentages. Then, the storage modulus G' and the loss modulus G'' (or tanδ = G''/G') are established as a function of the temperature. From these dependencies, we determined the glass transition temperature or tanδ maximum. Moreover, tan δ > 1 for liquid-like materials and it becomes lower than unity for solid-like materials. Finally, the dispersion of the trisodium phosphate incorporated into various prepared nanocomposite (NGTHTPTBAE/MDA/TSP) was determined using the scanning electron microscope (SEM).
本工作详细介绍了环氧树脂纳米缩水甘油基三肼4.4.4-三丙氧基三苯酚A(NGTHTPTBAE)、亚甲基二苯胺(MDA)和磷酸三钠(TSP)作为填料时纳米复合材料(NGTHTPPBAE/MDA/TSP)的流变行为。此外,我们还研究了由亚甲基二苯胺交联并由磷酸三钠以不同比例配制的纳米复合材料(NGTHTPTBAE/MDA/TSP)的性能。然后,储能模量G’和损耗模量G’’(或tanδ=G’’/G’)被建立为温度的函数。根据这些相关性,我们确定了玻璃化转变温度或tanδ最大值。此外,类液体材料的tanδ>1,类固体材料的tanΔ低于1。最后,利用扫描电子显微镜(SEM)测定了磷酸三钠在各种制备的纳米复合材料(NGTHTPTBAE/MDA/TSP)中的分散度。
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引用次数: 7
期刊
Journal of the Turkish Chemical Society, Section A: Chemistry
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