Journal of the chemical society of pakistan最新文献_第10页

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

Journal of the chemical society of pakistan 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

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

Journal of the chemical society of pakistan Pub Date : 2021-01-01 DOI: 10.52568/000585

Samadiy Murodjon

{"title":"Lithium Recovery from Water Resources by Ion Exchange and Sorption Method","authors":"Samadiy Murodjon","doi":"10.52568/000585","DOIUrl":"https://doi.org/10.52568/000585","url":null,"abstract":"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.","PeriodicalId":17253,"journal":{"name":"Journal of the chemical society of pakistan","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70696300","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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

Journal of the chemical society of pakistan 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

{"title":"Evaluating the Effect of Sewage Sludge on Bioactive Components of Momordicacharantia","authors":"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","doi":"10.52568/000582","DOIUrl":"https://doi.org/10.52568/000582","url":null,"abstract":"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.","PeriodicalId":17253,"journal":{"name":"Journal of the chemical society of pakistan","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70696411","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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

Journal of the chemical society of pakistan 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

{"title":"Utility of Spectroscopic Studies for Quantification of Cefditoren Pivoxil in Commercial Samples","authors":"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","doi":"10.52568/000587","DOIUrl":"https://doi.org/10.52568/000587","url":null,"abstract":"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.","PeriodicalId":17253,"journal":{"name":"Journal of the chemical society of pakistan","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70696764","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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

Journal of the chemical society of pakistan 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

{"title":"Theoretical Study of the Complexation of Lidocaine by α- and β-Cyclodextrins","authors":"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","doi":"10.52568/000593","DOIUrl":"https://doi.org/10.52568/000593","url":null,"abstract":"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.","PeriodicalId":17253,"journal":{"name":"Journal of the chemical society of pakistan","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70697027","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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

Journal of the chemical society of pakistan 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

{"title":"Characterization of Synthesized SnO2 Nanoparticles and its Application for the Photo Catalytic Degradation of Eosin Y in Aqueous Solution","authors":"Fazal Akbar Jan Fazal Akbar Jan, Muhammad Aamir Muhammad Aamir, Naimat Ullah and Husaain Gulab Naimat Ullah and Husaain Gulab","doi":"10.52568/000013","DOIUrl":"https://doi.org/10.52568/000013","url":null,"abstract":"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.","PeriodicalId":17253,"journal":{"name":"Journal of the chemical society of pakistan","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70695289","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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

Journal of the chemical society of pakistan 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

{"title":"Highly Active and Selective PtSnM1/γ-Al2O3 Catalyst for Direct Propane Dehydrogenation","authors":"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","doi":"10.52568/000574","DOIUrl":"https://doi.org/10.52568/000574","url":null,"abstract":"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?","PeriodicalId":17253,"journal":{"name":"Journal of the chemical society of pakistan","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70696190","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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

Journal of the chemical society of pakistan 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

{"title":"Comparative Biocompatibilities of Various Sizes of AgCIT and AgPVP with their Protein Coronas Nanoparticles","authors":"Abdul Hameed Abdul Hameed, Komal Saba Komal Saba, Raheela Taj Raheela Taj, Andaleeb Azam Andaleeb Azam, Rohullah and Amna Paracha Rohullah and Amna Paracha","doi":"10.52568/000594","DOIUrl":"https://doi.org/10.52568/000594","url":null,"abstract":"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.","PeriodicalId":17253,"journal":{"name":"Journal of the chemical society of pakistan","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70696684","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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

Journal of the chemical society of pakistan Pub Date : 2021-01-01 DOI: 10.52568/000602

Juhaina Alghdir and Ahmad Falah Juhaina Alghdir and Ahmad Falah

{"title":"Preparation of Poly(aniline-co-phenol) and Study Its Properties and Its Polymerization Kinetics Using Two Methods: UV-Vis and HPLC","authors":"Juhaina Alghdir and Ahmad Falah Juhaina Alghdir and Ahmad Falah","doi":"10.52568/000602","DOIUrl":"https://doi.org/10.52568/000602","url":null,"abstract":"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.","PeriodicalId":17253,"journal":{"name":"Journal of the chemical society of pakistan","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70697904","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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

Journal of the chemical society of pakistan 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

{"title":"(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","authors":"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","doi":"10.52568/000967/jcsp/43.06.2021","DOIUrl":"https://doi.org/10.52568/000967/jcsp/43.06.2021","url":null,"abstract":"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.","PeriodicalId":17253,"journal":{"name":"Journal of the chemical society of pakistan","volume":null,"pages":null},"PeriodicalIF":0.7,"publicationDate":"2021-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"70705660","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0