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Efficient and Reusable Silica Gel Supported Metal Ionic Liquid Catalysts for Palmitic Acid Esterification to Biodiesel 棕榈酸酯化制生物柴油的高效可重复使用硅胶负载金属离子液体催化剂
IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2021-01-01 DOI: 10.52568/000001
Guo Yingwei, Chen Xuedan, Yang Shiting, Zhang Zhengliang, Chen Yuqin, Zhengjiong Lina, Zhu Guangqi, Han Xiaoxiang
A series of silica gel (SG) supported metal ionic liquid catalysts (x[Bmim]Cl-CrCl3/SG) were synthesized and exploited for the esterification of palmitic acid (PA) with methanol (ML) to produce biodiesel efficiently. The 10%[Bmim]Cl-CrCl3/SG catalyst with high surface area and desirable acidity exhibited the best catalytic performance and reusability after six consecutive running cycles. Based on the response surface analysis, the optimal reaction conditions were obtained as follows: methanol/acid mole ratio = 11:1 mol/mol, catalyst amount = 5.3 wt%, reaction time = 65 min, as well as reaction temperature = 373 K, reaching to a biodiesel yield of 96.1%. Further kinetic studies demonstrated that the esterification of PA with ML obeyed 1.41 order kinetics for acid concentration with the activation energy of 16.88 kJ/mol.
合成了一系列硅胶(SG)负载型金属离子液体催化剂(x[Bmim]Cl-CrCl3/SG),并将其用于棕榈酸(PA)与甲醇(ML)酯化制备生物柴油。10%[Bmim]Cl-CrCl3/SG催化剂具有高的比表面积和理想的酸度,在连续6次循环后表现出最佳的催化性能和可重复使用性。通过响应面分析,得到最佳反应条件为甲醇/酸摩尔比为11:1 mol/mol,催化剂用量为5.3 wt%,反应时间为65 min,反应温度为373 K,生物柴油得率为96.1%。进一步的动力学研究表明,PA与ML的酯化反应符合酸浓度1.41级动力学,活化能为16.88 kJ/mol。
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引用次数: 0
Lithium Recovery from Water Resources by Ion Exchange and Sorption Method 离子交换-吸附法回收水资源中的锂
IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2021-01-01 DOI: 10.52568/000585
Samadiy Murodjon
Demand to lithium rising swiftly as increasing due to its rapidly increasing dosages diverse applications such as rechargeable batteries, light aircraft alloys, and nuclear fusion. Lithium demand is expected to triple by 2025 driven by battery applications, specifically electric vehicles. To ensure the growing consumption of lithium, it is necessary to increase the production of lithium from different resources. Natural lithium resources mainly associate within granite pegmatite type deposit (spodumene and petalite ores), salt lake brines, seawater, and geothermal water. Among them, the reserves of lithium resources in salt lake brine, seawater, and geothermal water are in 70–80% of the total, which are excellent raw materials for lithium extraction. Compared to the minerals, the extraction of lithium from water resources is promising because this aqueous lithium recovery is more abundant, more environmentally friendly, and cost-effective. There are many ways to recover lithium from water resources. Among existing methods, the adsorption method is more promising on the way of manufacture. Therefore, the important progress on ion-exchange adsorption methods for lithium recovery from water resources searched ways, were summarized in detail, and the new trends in the future were also carried out.
由于锂在可充电电池、轻型飞机合金和核聚变等多种应用领域的用量迅速增加,对锂的需求也在迅速增加。预计到2025年,锂需求将在电池应用,特别是电动汽车的推动下增长两倍。为了保证锂的消费不断增长,有必要增加不同资源的锂产量。天然锂资源主要伴生在花岗岩伟晶岩型矿床(锂辉石和花瓣岩矿石)、盐湖卤水、海水和地热水中。其中,盐湖卤水、海水、地热水中的锂资源储量占总储量的70-80%,是提取锂的优良原料。与矿物相比,从水资源中提取锂是有前途的,因为这种水锂回收更丰富,更环保,成本效益更高。从水资源中回收锂的方法有很多。在现有的方法中,吸附法是最有前途的制造方法。因此,对离子交换吸附法在水资源锂回收研究中的重要进展进行了详细的总结,并对未来的新趋势进行了展望。
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引用次数: 8
Evaluating the Effect of Sewage Sludge on Bioactive Components of Momordicacharantia 污水污泥对苦瓜生物活性成分影响的评价
IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2021-01-01 DOI: 10.52568/000582
Zohaib Saeed Zohaib Saeed, Ikram Ahmad Ikram Ahmad, Shahid Iqbal Shahid Iqbal, Umer Younas Umer Younas, Muhammad Pervaiz Muhammad Pervaiz, Rana Rashad Mahmood Khan Rana Rashad Mahmood Khan, Shahzad Sharif Shahzad Sharif, Abdullah M Asiri Abdullah M Asiri, Sher Bahadar Khan and Tahseen Kamal Sher Bahadar Khan and Tahseen Kamal
Momordicacharantia L. belongs to the family Cucurbitaceae. This plant has widely been reported for use in traditional medical systems for the treatment of diabetes, rheumatism, intestinal gas and malaria. The ethnicity of M. charantiais Asia, Africa and some parts of Europe where it is considered edible. Sewage sludge, a by-product of waste water treatment plant, contains several nutrients. These nutrients are known as beneficial for the better growth and good yield of the plants. The objective of this study is to optimize soil with different ratios of sewage sludge for increased growth of bioactive components in M. charantia. The plant was grown at six places; in soil containing 20%, 40%, 60% and 80% sewage sludge ratio as well as in pure soil and in pure sewage sludge. Fruit harvesting was carried out after 75 days. Methanol extract of M. charantia (Fruit) was subjected to analysis using GC-MS. Comparative quantification of 7,11-hexadecadienal, oleic Acid and stigmasterol were carried out. It has been found that the soil containing 60% sewage sludge yielded maximum quantity of 7,11-hexadecadienal, oleic Acid and stigmasterol. Therefore, optimization of soil with different ratios of sewage sludge is carried out and 60% ratio of sewage sludge in soil is recommended for the promising growth of Momordicacharantia.
Momordicacharantia L.属于葫芦科。这种植物已被广泛报道在传统医疗系统中用于治疗糖尿病、风湿病、肠道气体和疟疾。夏莲属植物分布在亚洲、非洲和欧洲的一些地方,在那里它被认为是可以食用的。污水污泥是污水处理厂的副产品,含有几种营养物质。众所周知,这些营养物质有利于植物的更好生长和高产。本研究的目的是优化不同污泥比例的土壤,以促进沙兰菌生物活性成分的生长。这种植物生长在六个地方;在含20%、40%、60%和80%污泥比的土壤中,以及在纯土壤和纯污泥中。果实在75天后收获。采用气相色谱-质谱联用技术对charantia (Fruit)甲醇提取物进行分析。对7,11-十六烯二醛、油酸和豆甾醇进行了比较定量。研究发现,污泥含量为60%的土壤中7,11-十六烯二醛、油酸和豆甾醇的产量最高。因此,对不同污泥配比的土壤进行了优化,建议土壤中污泥的比例为60%,以保证Momordicacharantia的良好生长。
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引用次数: 0
Utility of Spectroscopic Studies for Quantification of Cefditoren Pivoxil in Commercial Samples 光谱研究在商业样品中头孢地酮酯定量中的应用
IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2021-01-01 DOI: 10.52568/000587
Salma Ali Al Tamimi Salma Ali Al Tamimi, Norah Sultan Abdulaziz Al Motlaq and Fatma Ahmed Aly Norah Sultan Abdulaziz Al Motlaq and Fatma Ahmed A
The current study is devoted to suggest new simple spectrophotometric probes for the estimation and quantification of cefditoren pivoxil (CFP) either in authentic or in commercial samples. Three simple kinetic and derivatize sensitive spectrophotometric methods were established. Two kinetic techniques (method A) and (method B) were based on the estimation of CFP using the oxidation properties of alkaline potassium permanganate at ambient temperature and the relation between the reduction in the absorbance of KMnO4 and the added CFP were also investigated. The intensity of absorbance (A) of the colored MnO4- ions were recorded at wavelengths 610 and 525 NM for the two methods, respectively. Method C was based on derivatization of CFP with 1,2-naphthoquinone-4-sulphonate reagent in a basic solution (pH=11) to produce an orange red colored solution exhibited the highest absorption peak (λmax) at 411 nm. The proposed systems displayed linearity over the concentration ranges of 1.0-16.0, 1.0-10.0 and 0.5-7.0 and#181;g mL-1.The suggested systems were validated obeying analytical methodology guidelines and the acceptance criteria for accuracy, precision, linearity, selectivity, and robustness were met in all cases.
目前的研究致力于提出一种新的简单的分光光度法,用于在真实或商业样品中估计和定量头孢地托林酯(CFP)。建立了三种简单的动力学和衍生化灵敏分光光度法。利用碱性高锰酸钾在常温下的氧化特性来估算CFP的两种动力学方法(方法A)和(方法B),并研究了CFP的加入与KMnO4吸光度的降低之间的关系。分别在610和525 NM波长处记录了有色MnO4-离子的吸光度(A)。方法C在碱性溶液(pH=11)中,用1,2-萘醌-4-磺酸盐试剂衍生化CFP,制得在411 nm处吸收峰最大(λmax)的橘红色溶液。所提出的体系在1.0-16.0、1.0-10.0、0.5-7.0和#181;g mL-1的浓度范围内呈线性。所建议的系统符合分析方法学指南,并且在所有情况下都符合准确性、精密度、线性、选择性和鲁棒性的接受标准。
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引用次数: 0
Theoretical Study of the Complexation of Lidocaine by α- and β-Cyclodextrins α-和β-环糊精络合利多卡因的理论研究
IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2021-01-01 DOI: 10.52568/000593
Nourredine Meddah Araibi Nourredine Meddah Araibi, Teffaha Fergoug Teffaha Fergoug, Mansour Azayez Mansour Azayez, Cherifa Zelmat Cherifa Zelmat, Jendara Ali Cherif and Youcef Bouhadda Jendara Ali Cherif and Youcef Bouhadda
Structure and stability of an eventual inclusion complex formed by Lidocaine and two cyclodextrins (α- and β-CD) were investigated using molecular mechanics and quantum-chemical methods in the gas phase and in water. The molecular docking and quantum chemical calculations results show that no inclusion complex is formed between α-CD and Lidocaine molecule, while the conformational research allowed observing two minimum-energy structures between this molecule and β-CD. From a potential energy scan, a partial inclusion of the two ends of Lidocaine by the secondary face of the cavity of β-CD is observed with a better stability for the complex including the ((-N(C2H5)2) group in it. The minimum energy conformers, obtained by semi empirical method (PM3), have been exposed to fully geometry optimization employing ONIOM2 calculations by combining PM3 method with B3LYP, M06-HF and WB97XD functionals at 6-311G (d,p) basis set. The results show that complexation reactions are thermodynamically favored (Gand#176; ˂ 0) and the inclusion complexes are energetically stables and well structured (Sand#176; ˂ 0). According to the analysis of natural bond orbitals, the Van der Waals interactions are the sole driving forces that ensure the stability of the formed complexes.
采用分子力学和量子化学方法研究了利多卡因与两种环糊精(α-和β-CD)在气相和水中形成的包合物的结构和稳定性。分子对接和量子化学计算结果表明,α-CD与利多卡因分子之间没有形成包合物,构象研究允许观察到该分子与β-CD之间的两个最小能量结构。从势能扫描中,观察到利多卡因的两端被β-CD腔的二次面部分包涵,其中包含((-N(C2H5)2)基团的复合物具有更好的稳定性。将PM3方法与B3LYP、M06-HF和WB97XD泛型相结合,在6-311G (d,p)基集上,利用ONIOM2计算方法对半经验方法得到的最小能量构象(PM3)进行了完全几何优化。结果表明,络合反应在热力学上是有利的(Gand#176;小于0),并且包合物能量稳定且结构良好(Sand#176;根据自然键轨道的分析,范德瓦尔斯相互作用是保证形成的配合物稳定的唯一驱动力。
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引用次数: 0
Characterization of Synthesized SnO2 Nanoparticles and its Application for the Photo Catalytic Degradation of Eosin Y in Aqueous Solution 合成SnO2纳米颗粒的表征及其光催化降解水溶液中伊红Y的应用
IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2021-01-01 DOI: 10.52568/000013
Fazal Akbar Jan Fazal Akbar Jan, Muhammad Aamir Muhammad Aamir, Naimat Ullah and Husaain Gulab Naimat Ullah and Husaain Gulab
The synthesized oxide (SnO2) nanoparticles by sol-gel method were characterized using UV-Visible spectroscopy (UV-Vis), Fourier Transform Infrared spectroscopy (FTIR), X-rays diffraction(XRD) and Scanning electron microscopy(SEM). Using X-rays diffraction analysis different parameter were calculated such as crystallite size, d-spacing, dislocation density, number of unit cell, cell volume, morphological index, micro strain and instrumental broadening. The average particle size was 28.396 nm. Scanning electron microscopy revealed that SnO2 nanopartcles are uniformly distributed. Optical properties such as band gap (energy gap = 3.6 eV) was calculated from UV-Visible spectroscopy. The characterized particles were used as photocatalyst for the degradation of Eosin dye in aqueous solution under UV light. The effect of different parameters i.e irradiation time, initial dye concentration, pH of the medium and catalyst weight on percent degradation was also studied. Mmaximum dye degradation was found at 220 minutes time interval that was 92 % using 10 ppm solution. At pH 5 the degradation of dye was found to be 94%. The catalyst dose of 0.06 g was found to be the optimum weight for the best photo catalytic degradation of Eosin Y.
采用溶胶-凝胶法制备的氧化SnO2纳米颗粒,采用紫外可见光谱(UV-Vis)、傅里叶变换红外光谱(FTIR)、x射线衍射(XRD)和扫描电镜(SEM)对其进行了表征。利用x射线衍射分析计算了晶体尺寸、d间距、位错密度、晶胞数、晶胞体积、形态指数、微应变和仪器展宽等参数。平均粒径为28.396 nm。扫描电镜显示,SnO2纳米颗粒分布均匀。利用紫外可见光谱法计算带隙(能隙= 3.6 eV)等光学性质。用所表征的颗粒作为光催化剂,在紫外光下降解水溶液中的伊红染料。考察了辐照时间、初始染料浓度、介质pH和催化剂质量对降解率的影响。使用10 ppm溶液,在220分钟的时间间隔内染料降解率达到92%。在pH为5时,染料的降解率为94%。结果表明,光催化降解伊红Y的最佳催化剂用量为0.06 g。
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引用次数: 0
Highly Active and Selective PtSnM1/γ-Al2O3 Catalyst for Direct Propane Dehydrogenation 高效选择性PtSnM1/γ-Al2O3丙烷直接脱氢催化剂
IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2021-01-01 DOI: 10.52568/000574
Arshid M Ali Arshid M Ali, Abdulrahim A Zahrani Abdulrahim A Zahrani, Muhammad A Daous Muhammad A Daous, Muhammad Umar Seetharamulu Podila and Lachezar A Petrov Muhammad Umar Seetharamulu Podila and Lachezar A P
This study is aimed to understand the role of alkaline earth elements (AEE) to the catalytic performance of PtSnM1/γ-Al2O3catalystfor the direct propane dehydrogenation (where M1 = Mg, Ca, Sr, Ba). All the catalysts were prepared by using wet impregnation.The overall catalytic performance of all the catalysts was studied at different reaction temperatures, feed composition ratios and GHSV. The best operating reaction conditions were575and#186;C, feed composition ratio of C3H8:H2:N2 = 1.0:0.5:5.5 and GHSV of 3800h-1. An optimal addition of “Ca” to PtSn//γ-Al2O3 catalyst, enhanced the catalytic activity of PtSnM1/γ-Al2O3 catalyst in comparison to other studied AEE. This catalyst had shown the highest propane conversion (~ 55.8 %) with 95.7 % propylene selectivity and least coke formation (7.11 mg.g-1h-1). In general, the increased catalytic activity of PtSnM1/γ-Al2O3 is attributed to the reduced coking extent during the reaction. In addition, the enhanced thermal stability of the PtSnCa/γ-Al2O3catalystis because of the protective layer betweenγ-Al2O3 and active metal, which allows the formation of active species such as PtSn, PtCa2 and Pt2Al phases?
本研究旨在了解碱土元素(AEE)对PtSnM1/γ- al2o3催化剂丙烷直接脱氢(M1 = Mg, Ca, Sr, Ba)催化性能的影响。所有催化剂均采用湿浸渍法制备。在不同的反应温度、进料比和GHSV条件下,研究了所有催化剂的整体催化性能。最佳操作条件为575℃和186℃,原料组成比为C3H8:H2:N2 = 1.0:0.5:5.5, GHSV为3800h-1。在PtSn//γ-Al2O3催化剂中添加“Ca”,可以提高PtSnM1/γ-Al2O3催化剂的催化活性。该催化剂丙烷转化率最高(~ 55.8%),丙烯选择性95.7%,焦炭生成最少(7.11 mg.g-1h-1)。总的来说,PtSnM1/γ-Al2O3催化活性的提高是由于反应过程中焦化程度的降低。此外,由于γ- al2o3和活性金属之间的保护层,PtSnCa/γ- al2o3催化剂的热稳定性增强,使得活性物质如PtSn、PtCa2和Pt2Al相的形成成为可能。
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引用次数: 1
Comparative Biocompatibilities of Various Sizes of AgCIT and AgPVP with their Protein Coronas Nanoparticles 不同尺寸AgCIT和AgPVP与其蛋白冠状粒子的生物相容性比较
IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2021-01-01 DOI: 10.52568/000594
Abdul Hameed Abdul Hameed, Komal Saba Komal Saba, Raheela Taj Raheela Taj, Andaleeb Azam Andaleeb Azam, Rohullah and Amna Paracha Rohullah and Amna Paracha
Biocompatibilities of nanoparticles are crucial for biomedical applications. Diverse silver nanoparticles (5 nm, 10 nm, 20 nm, 40 nm and 80 nm) caped with citrate and polyvinylpyrrolidone (PVP) were synthesized and primed their protein coronas. Nanoparticles were characterized with UV-visible spectroscope, Dynamic light scattering (DLS) and Transmission Electron Microscope (TEM). Comparative biocompatibilities were verified and recorded using MTS techniques. Human hepatoma carcinoma HepG2) cell line was used for measuring cytotoxic effect by MTS assays. Deleterious and comparative behaviors of citrate and PVP supported nanoparticles with varied dimensions were investigated and concluded; that citrate caped nanoparticles are comparatively less toxic and independent of size than PVP supported nanoparticles, having increased cytotoxicity with increasing size. The cytotoxic effect of citrate caped and its protein coronas nanoparticles was insignificant, while the boosted concentration of PVP supported nanoparticles enhanced the toxic effect, which endorsed enlarged size and amount of PVP supported nanoparticles. As medicinal precursors, the overwhelming use of PVP nanoparticles should be avoided, and a unique protocol must be designed if its use is crucial and unavoidable.
纳米粒子的生物相容性对生物医学应用至关重要。以柠檬酸盐和聚乙烯吡咯烷酮(PVP)为包覆层,合成了5 nm、10 nm、20 nm、40 nm和80 nm的纳米银微粒,并对其蛋白冠进行了引物处理。采用紫外可见光谱、动态光散射(DLS)和透射电子显微镜(TEM)对纳米颗粒进行了表征。使用MTS技术验证和记录比较生物相容性。用MTS法测定人肝癌HepG2细胞株的细胞毒作用。研究并总结了不同尺寸的柠檬酸盐和PVP负载纳米颗粒的有害行为和比较行为;柠檬酸盐包覆的纳米颗粒毒性相对较小,且与PVP支持的纳米颗粒大小无关,其细胞毒性随着尺寸的增加而增加。枸橼酸包膜及其蛋白冠状粒子的细胞毒作用不显著,而PVP负载纳米粒子浓度的增加则增强了其毒性作用,这表明PVP负载纳米粒子的大小和数量都有所增加。作为药用前体,PVP纳米颗粒的过度使用应该避免,如果它的使用是至关重要和不可避免的,必须设计一个独特的方案。
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引用次数: 0
Preparation of Poly(aniline-co-phenol) and Study Its Properties and Its Polymerization Kinetics Using Two Methods: UV-Vis and HPLC 聚苯胺-共酚的制备及其性能及聚合动力学研究
IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2021-01-01 DOI: 10.52568/000602
Juhaina Alghdir and Ahmad Falah Juhaina Alghdir and Ahmad Falah
The co-polymerization of polyaniline is one of the most important methods used to improve the electrical activity and thermal stability of polyaniline. Previously, electrochemical co-polymerization of phenol and aniline was performed on 304 stainless steel anodes. In this study, we present the co-polymerization of aniline and phenol chemically at laboratory temperature in an acidic medium with ammonium pyrosulfate as an oxidant. The Scanning Electron Microscopy (SEM) analysis of poly(aniline-co-phenol) sample shows a rough (non-smooth) surface with crystalline particles with microscopic diameters. We characterized the prepared polymer with DSC, DTA, and thermos gravimetric analysis (TGA). We found that the thermal decomposition of poly(aniline-co-phenol) was on six steps. The glass transition temperature of the co-polymer (Tg) was found at 863.89 and#176;C and the melting transition temperature was observed at 877.80 and#176;C. We studied the kinetics of Poly(aniline-co-phenol) using two methods: UV-Vis, HPLC. Then we determined the reaction order. It was found that the reaction was the zero-order reaction (n=0) in both previous two methods.
聚苯胺的共聚合是提高聚苯胺电活性和热稳定性的重要方法之一。此前,苯酚和苯胺在304不锈钢阳极上进行了电化学共聚合。在这项研究中,我们提出了在实验室温度下苯胺和苯酚在酸性介质中以焦硫酸铵作为氧化剂的化学共聚合。扫描电子显微镜(SEM)分析显示聚苯胺-共酚样品表面粗糙(不光滑),具有微观直径的结晶颗粒。我们用DSC, DTA和热重分析(TGA)对所制备的聚合物进行了表征。我们发现聚苯胺-共酚的热分解分为六个步骤。共聚物的玻璃化转变温度为863.89℃和#176℃,熔融转变温度为877.80℃和#176℃。采用紫外可见和高效液相色谱两种方法研究了聚苯胺-共酚的动力学。然后我们确定了反应顺序。发现前两种方法的反应均为零级反应(n=0)。
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引用次数: 0
(2E)-3-(1-benzothiophen-2-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one: Synthesis, Characterization (IR, NMR and UV-Vis) DFT Study and Antimicrobial Activity (2E)-3-(1-苯并噻吩-2-基)-1-(4-羟基苯基)pro- 2-en-1-one:合成、表征(IR、NMR和UV-Vis) DFT研究及抗菌活性
IF 0.7 4区 化学 Q4 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2021-01-01 DOI: 10.52568/000967/jcsp/43.06.2021
Nevin S leymano lu Nevin S leymano lu, Re at Ustaba Re at Ustaba, Fatih Eyduran Fatih Eyduran, ahin Direkel ahin Direkel, Yasemin nver Yasemin nver, Nuran Kahriman Nuran Kahriman
In this study new chalcone derivative (2E)-3-(1-benzothiophen-2-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one (I), which has important pharmacological applications, was designed and synthesized. IR, NMR and LC-MS/MS empirical methods were used in order to confirm the molecular structure of the synthesized compound I. Both two tautomeric forms of the molecule were optimized by using density functional theory (DFT) method. The structural parameters formed after optimization and structural parameters obtained from similar compounds by X-ray diffraction show a good correlation. The theoretical and experimental results of IR and NMR are generally compatible, but difference arises between some values. This difference shows the existence of O–Hand#183;and#183;and#183;O type intermolecular hydrogen bond. By using its UV-Vis data, the visible absorption maximums of the molecule were analyzed. Compound I was tested against kind of Leishmania major from the point of antileishmanial activity, against kind of Candida albicans from the point of antifungal activity and against fourteen kinds of bacteria from the point of antibacterial activity in this study. The test results showed, that compound I was effective on eight kinds of bacteria and the activity strength on six bacteria among the eight was MIC: 5000 μg/mL and on the rest two kinds MIC: 1250 μg/mL. Besides, it was also found out, that compound I has MIC: 5000 μg/mL antileishmanial activity. Since bacterial and parasitic infections form serious health problems globally, compound I may be a medication candidate in future; if its antibacterial and antiparasitic effect are taken into consideration.
本研究设计并合成了具有重要药理作用的新型查尔酮衍生物(2E)-3-(1-苯并噻吩-2-基)-1-(4-羟基苯基)prop-2-en-1-one (I)。采用IR、NMR和LC-MS/MS等经验方法确定了合成化合物1的分子结构,并利用密度泛函理论(DFT)方法对两种互变异构形式的分子进行了优化。优化后形成的结构参数与同类化合物x射线衍射得到的结构参数具有良好的相关性。红外光谱和核磁共振光谱的理论和实验结果基本一致,但也存在一些差异。这一差异说明O型手#183、#183、#183分子间氢键的存在。利用其UV-Vis数据,分析了该分子的可见吸收最大值。化合物1对一种主要利什曼原虫的抗利什曼原虫活性、对一种白色念珠菌的抗真菌活性和对14种细菌的抑菌活性进行了试验。实验结果表明,化合物1对8种细菌有效,其中6种细菌的活性强度为MIC: 5000 μg/mL,其余2种细菌的活性强度为MIC: 1250 μg/mL。此外,还发现化合物1具有MIC: 5000 μg/mL的抗利什曼原虫活性。由于细菌和寄生虫感染在全球范围内构成严重的健康问题,化合物1可能是未来的候选药物;如果考虑到它的抗菌和抗寄生虫作用。
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引用次数: 0
期刊
Journal of the chemical society of pakistan
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