Sami Publishing CompanyAdvanced Journal of Chemistry, Section A2645-77684420210701Thermodynamic and Exergy Analysis of Cogeneration Cycles of Electricity and Heat Integrated with a Solid Oxide Fuel Cell Unit24425713144010.22034/ajca.2021.283638.1255ENNima NorouziDepartment of Energy Engineering and Physics, Amirkabir University of Technology (Tehran Polytechnic), 424 Hafez Avenue, PO. Box 15875-4413, Tehran, Iran0000-0002-2546-4288Journal Article20210427Among the items that have been widely used as a solution to reduce energy consumption and air pollution are cycles of simultaneous generation of electricity and heat or CHP. In such cycles, the gas turbine’s exhaust gases enter the steam production unit to produce the required steam or hot water. In the meantime, and due to the increasing use of oxidized fuel cells, combined circuits including fuel cells, gas turbines, and recovery boilers have been considered. In this paper, the combined cycle, including fuel, gas turbine, and recovery boiler, was thermodynamically analyzed, and its performance results are compared with a normal CHP cycle. Electrochemical and chemical modeling of fuel cells and exergy and thermodynamic analysis of all cycle components have been performed. In the cycle, performance changes with basic cycle parameters such as the temperature of the combustion products entering the gas turbine, the boiler steam pressure, the pinch point, the flow intensity, and the fuel cell stack temperature were analyzed. According to the results, the efficiency of the combined cycle with a fuel cell, is much higher, 61% compared with the 50% of the normal CHP.http://www.ajchem-a.com/article_131440_79dfd90ae60456d7b7d93e01d1fe0033.pdfSami Publishing CompanyAdvanced Journal of Chemistry, Section A2645-77684420210701Conductometric Approach to the Thermodynamic of Micellization of Anionic Surfactants in the Presence of Procaine Hydrochloride25826913295610.22034/ajca.2021.285094.1258ENOlaseni SegunEsanDepartment of Chemical Sciences, Adekunle Ajasin University, Akungba-Akoko, Nigeria0000-0003-0159-0113Owolabi MutolibBankoleDepartment of Chemical Sciences, Adekunle Ajasin University, Akungba-Akoko, NigeriaOwoyomi OlanrewajuDepartment of Chemistry Obafemi Awolowo University, Ile -Ife, NigeriaAdeyemo AkintundeMosesDepartment of Chemical Sciences, Adekunle Ajasin University, Akungba-Akoko, NigeriaJournal Article20210509This study underscores the teleology of micellization behaviours of sodium dodecyl sulphate (SDS) and sodium lauroyl sarcosinate (SLS), an anionic surfactant. The configuration of SDS/SLS water soluble in the presence of 4.0 x 10<sup>-5 </sup>moldm<sup>-3</sup> aqueous solution of procaine hydrochloride within the temperature range of 293.15 K to 313.15 K was observed. Critical micelle concentration (CMC), and degree of counter ion binding (<em>β</em>) were determined from conductivity data. The CMC of SDS and SLS decreased to reach a minimum (T= 308.15 K and 303.15 K for SDS and SLS) and then increased with increasing temperature. On applying mass action model, the obtained CMC values were used to determine the thermodynamic parameters (i.e. free energy of micellization (<em>ΔG<sup>°</sup><sub>m</sub></em>), enthalpy of micellization (<em>ΔH<sup>°</sup><sub>m</sub></em>) and entropy of micellization (<em>ΔS<sup>°</sup><sub>m</sub></em>)). As a function of temperature, the value was negative and the negativity was enhanced in surfactants-PHC medium as compared with aqueous medium. This is an indication that spontaneity increases in micelle formation in the SDS+PHC and SLS+PHC systems than water. Entropy-enthalpy compensation were observed on applying Lumry-Rajender-entropy compensation model. The observed compensation temperatures, <em>T</em><sub>c</sub>, for SDS and SLS, were not the same with and without PHC. SDS had <em>T<sub>c </sub></em>values of 302.8±3.14 and 307.7±1.63, while for SLS, Tc=305.46±3.14 and 307.33±2.18. A clear indication of enthalpy–entropy compensation phenomenon was observed.http://www.ajchem-a.com/article_132956_c0cb559ccb42b15e0c3cbdb4cbaf9e51.pdfSami Publishing CompanyAdvanced Journal of Chemistry, Section A2645-77684420210701Effective Removal of Methyl Green from Aqueous Solution Using Epichlorohydrine Cross-Linked Chitosan27027713337710.22034/ajca.2021.285520.1259ENZahra BashandehDepartment of Chemistry, Faculty of Science, Golestan University, Gorgan, IranAliakbar Dehno KhalajiDepartment of Chemistry, Faculty of Science, Golestan University, Gorgan, Iran0000-0002-1787-2951Journal Article20210509Epichlorohydrin cross-linked chitosan (EP-Cs) was prepared was characterized using Fourier transform infrared spectroscopy (FT-IR), X-ray powder diffraction (XRD), thermal gravimetry (TG-DTA) and differential calorimetric analysis (DSC), and used as adsorbent for methyl green (MG) removal. Epy-Chit was soaked in methyl green solution with concentration of 40 mg/L using a batch adsorption system, to measure the adsorption capacity of the EP-Cs and the percentage of MG removed from the aqueous solution. The optimum MG adsorption on EP-Cs occurred at pH 7.8, agitation time of 60 minute and adsorbent dosage of 0.02 g were observed. Adsorption results show that the EP-Cs exhibited the excellent performance for the MG removal from aqueous solution. This study suggests that EP-Cs could be explored as an adsorbent for removing other organic pollutants.http://www.ajchem-a.com/article_133377_217bd07b899168f799c77d16195b072d.pdfSami Publishing CompanyAdvanced Journal of Chemistry, Section A2645-77684420210701Action of 4-[(Z)-(4-Methoxybenzylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol as Chemosensor for the Trace Amount of Copper in Aqueous Media27828713369510.22034/ajca.2021.276483.1252ENAshwini PrasadDepartment of Chemistry, St. Aloysius College, Mangalore-575003, Karnataka, India0000-0001-7191-9784Gopalakrishna BhatNellikayaDepartment of Chemistry, Srinivas Institute of Technology, Mangalore, Valachil, IndiaRonald AquinNazarethDepartment of Chemistry, St. Aloysius College, Mangalore-575003, Karnataka, IndiaJournal Article20210408This research study evaluates a novel, sensitive, and selective spectrophotometric method for the estimation of copper(II) by using a new chromogenic reagent 4-[(<em>Z</em>)-(4-methoxybenzylidene) amino]-5-methyl-4<em>H</em>-1,2,4-triazole-3-thiol (MAMTT) (Schiff base). The maximum absorbance was found to be at 613 nm. Experimental conditions were optimized. Beer’s law was seen in 12.7-50.83 µg/mL of copper concentration range. Calculated molar absorptivity, detection limit and quantification limit of the complex were 0.307x10<sup>4 </sup>L mol<sup>-1</sup>.cm<sup>-1</sup>, 6.328 µg/cm<sup>3</sup> and 19.177 µg/cm<sup>3</sup>, respectively. The study of interference of common ions was carried out. The current process was enforced for the estimation of copper in water samples.http://www.ajchem-a.com/article_133695_199481810692c0bcdea2950b7ec29bb7.pdfSami Publishing CompanyAdvanced Journal of Chemistry, Section A2645-77684420210701Investigation of Amino Chalcone Derivatives as Anti-Proliferative Agents against MCF-7 Breast Cancer Cell Lines-DFT, Molecular Docking and Pharmacokinetics Studies28829913374010.22034/ajca.2021.285869.1261ENOluwatoba EmmanuelOyeneyinTheoretical and Computational Chemistry Unit, Adekunle Ajasin University, Akungba-Akoko, Ondo State, Nigeria Department of Chemical Sciences, Adekunle Ajasin University, Akungba-Akoko, Ondo state, Nigeria0000-0001-5709-0244Toluwalope GbemilekeAbayomiDepartment of Chemical Sciences, Adekunle Ajasin University, Akungba-Akoko, Ondo state, NigeriaNureni IpinlojuTheoretical and Computational Chemistry Unit, Adekunle Ajasin University, Akungba-Akoko, Ondo State, Nigeria Department of Chemical Sciences, Adekunle Ajasin University, Akungba-Akoko, Ondo state, Nigeria0000-0002-2683-7146Eric BamideleAgbaffaDepartment of Physical Sciences, Wesley University, Ondo City, NigeriaDaniel DadaAkereleDepartment of Chemical Sciences, Adekunle Ajasin University, Akungba-Akoko, Ondo state, NigeriaOluwatobiloba AmusaArobadadeDepartment of Biochemistry, Adekunle Ajasin University, Akungba-Akoko, Ondo state, NigeriaJournal Article20210512Breast cancer is one of the most lethal diseases that has resulted in many deaths in the world. Development of new compounds and repurposing of approved drugs have become very attractive in the field of drug design. Computer-aided drug design has become popular because it is cost effective and time saving. In this work, the molecular descriptors of some amino chalcone derivatives were derived using the density functional theory; some of the optimized molecules were also docked at the active site of a human serine/threonine-protein kinase receptor, 3FC2, to obtain their binding affinities. The potential surface energies for all compounds range from -190.4 kJ/mol to -172.3 kJ/mol for low energy regions and 199.8 kJ/mol to 263.3 kJ/mol for high energy regions indicating that the ligands would bind well with receptors. All compounds have higher binding energy than the standard drug, 5-Fu (-6.19 kcal/mol) when docked into the active site of 3FC2 and their mode of interaction are just like it was in 5-Fu. Our observations are still subject to confirmation via clinical and pre-clinical investigations.http://www.ajchem-a.com/article_133740_dc901fdc8e370a31a915ff73bf2962ec.pdfSami Publishing CompanyAdvanced Journal of Chemistry, Section A2645-77684420210701Synthesis of New Polyurethanes Based on 2,3-Dihidro-1,4-Phthalazinedione30030713437910.22034/ajca.2021.286663.1262ENHossein MighaniFaculty of science, Department of Chemistry, Golestan University, Gorgan, P. O. Box 155, Iran0000-0002-8316-5614Seied Morteza SajadiniaCollege of Chemistry, Shahrood University of Technology, Shahrood, 3619995161, IranHossein Nasr-IsfahaniCollege of Chemistry, Shahrood University of Technology, Shahrood, 3619995161, IranMohammad BakheradCollege of Chemistry, Shahrood University of Technology, Shahrood, 3619995161, IranJournal Article20210517In this work, to synthesis the 2-(2-hydroxy ethyle)-2,3-dihydro-1,4-phthalazinedione and 2,3-bis(2-hydroxyethyle)-2,3-dihydro-1,4-phthalazinedione, 2-boromoethanol was reacted with phthalhydrazide in DMAc at presence of triethylamine in mole ratio of 1.5:1 and 3:1 respectively. The structure of the monomers was evaluated using the IR and <sup>1</sup>H-NMR spectra. New polyurethanes were synthesized by reaction of the monomers with various diisocyanates including, tolylene diisocyanate, isophorane diisocyanate and hexamethylene diisocyanate. The measured viscosity for these polymers was found to be at the range of 0.45-0.6 dlg<sup>-1</sup>. The structure of the polymers was proved by IR, <sup>1</sup>HNMR spectra and CHN analysis. The TGA and DTG results confirmed high thermal stability for the synthesized polymers.http://www.ajchem-a.com/article_134379_b793f9305daae334a8ce43e1bc899d2d.pdfSami Publishing CompanyAdvanced Journal of Chemistry, Section A2645-77684420210701Medicinal Value of Some Bioactive Compounds from Three Species of Striga Grass (S. hermontheca, S. aciatica and S. gesnerioides) Extractions30831613461010.22034/ajca.2021.282292.1263ENMohammed MusaLawanDepartment of Chemistry, Yobe State University, Damaturu, Yobe State, NigeriaIdris BabaMai GarbaDepartment of Chemistry, Yobe State University, Damaturu, Yobe State, Nigeria0000-0002-1252-6208Journal Article20210526The control of Striga infestation in agricultural produce proved to be difficult especially in Africa. This study therefore aimed at finding a way of making the plant useful. The results revealed that all the plants contain flavonoids, glycosides, tannins, phenols, oxalate and carbohydrates. Alkaloid and saponnins were only found to be present in <em>S</em>. <em>gesnerioides</em>. A relative high amount of flavonoids (6.86+0.42 mgRutin/g) and phenols in the stem (9.36+0.55 mgGAE/g) of <em>S</em>. <em>gesnerioides</em> closely followed by leaves of <em>S. hermontheca</em> 4.06+0.25 mgRutin/g, 13.06+0.32 mgGAE/g respectively. The presence of these bioactive components indicates the plant’s potential as a source of major secondary metabolites that may serve as novel medicines. The percentage inhibition concentration at 50% (IC<sub>50</sub>)<sub> </sub>of <em>S. hermontheca</em> stem, root and leaves were 73.13 µg/g, 41.39 µg/g and 207.01 µg/g respectively. The stem, roots and haustorium of <em>S. gesneriodes</em> indicated an IC<sub>50 </sub>of 70.39 µg/g, 55.33 µg/g and 55.07 µg/g respectively while <em>S. aciatica</em> 52.35 µg/g, and 72.71 µg/g respectively. Compared to standard ascorbic acid with IC<sub>50 </sub>of 57.78 µg/g, the three species have relative significant antioxidant activity. Further successive extraction, purification and characterization of the bioactive components found present in this research will make further research interesting.http://www.ajchem-a.com/article_134610_a7537669bead004ec3cf00b4ebb16dc3.pdfSami Publishing CompanyAdvanced Journal of Chemistry, Section A2645-77684420210701α-Fe2O3 Nanoparticles: Synthesis, Characterization, Magnetic Properties and Photocatalytic Degradation of Methyl Orange31732613476810.22034/ajca.2021.292396.1268ENAliakbar Dehno KhalajiDepartment of Chemistry, Faculty of Science, Golestan University, Gorgan, Iran0000-0002-1787-2951Pavel MachekInstitute of Physic of the Czech Academy of Sciences, Na Slovance 2, 182 21 Prague, Czech Republic0000-0003-0599-6639Marketa JarosovaInstitute of Physic of the Czech Academy of Sciences, Na Slovance 2, 182 21 Prague, Czech RepublicJournal Article20210627α-Fe<sub>2</sub>O<sub>3</sub> magnetic nanoparticles (MNPs) (Fe-1, Fe-2 and Fe-3) were prepared by a simple wet chemical precipitation route and characterized by Fourier transform infrared spectroscopy (FT‑IR), X‑ray diffraction (XRD) and transmission electron microscopy (TEM). The magnetic behaviors of the as‑prepared Fe<sub>3</sub>O<sub>4</sub> nanoparticles were done using vibrating sample magnetometer (VSM). In addition, the as‑prepared α‑Fe<sub>2</sub>O<sub>3</sub> nanoparticles were used as photocatalyst for degradation and removal of methyl orange (MO) dye under visible light irradiation from aqueous solution. The influence of various parameters such as contact time and dosage of catalyst have been examined and discussed. The studies revealed that the degradation of MO reached to 95% (Fe‑1), 88% (Fe‑2) and 62% (Fe‑3) within 120 min by increasing of catalyst dosage from 0.02 g to 0.06 g. Degradation rates of MO by Fe‑1, Fe‑2 and Fe‑3 were 0.0249, 0.0177 and 0.0081 min<sup>‑1</sup>, respectively, indicating that the degradation depends on the crystalline size and morphology of the α‑Fe<sub>2</sub>O<sub>3</sub> magnetic nanoparticles.http://www.ajchem-a.com/article_134768_71a22417e136425b019f013ec066d0db.pdfSami Publishing CompanyAdvanced Journal of Chemistry, Section A2645-77684420210701Synthesis and Molecular Docking Studies of Some Thiohydantoin Derivatives as Potential Anticancer and Antimicrobial Agents32733813489410.22034/ajca.2021.291823.1266ENAysha BelgasemMezoughi †Chemistry Department, Faculty of Science, University of Tripoli, Tripoli, Libya0000-0001-9641-3026Wanisa Abdussalam-MohammedChemistry Department, Faculty of Science, Sebha University, Sebha, LibyaAshraf Ahmed AliAbdusalam †Department of Pharmaceutical Sciences, Faculty of Health Sciences, Sirte University, Sirte, LibyaJournal Article202106232-Thiohydantoin derivatives are most remarkably known because of their extensive applications including, hypolipidemic, anticarcinogenic, antimutagenic, antifungal, and antibacterial. For this reason, three of 5-aryl-2-thiohydantion derivatives <strong>(3-5)</strong> and the conversion of 2-thiohydantoin to thiol ether <strong>(7)</strong> by alkylation with methyl bromoacetate are successfully synthesized. To evaluate and understand the interactions and the orientation between the synthesized compounds and binding pocket of cancer and bacterial protein receptor, molecular docking studies using the Auto dock Vina were performed against three proteins including; isocitrate dehydrogenase (IDH1, PDB: 4UMX) and two bacterial proteins (LasR-OC12 HSL complex PDB:3IX3, and β-ketoacyl-acyl carrier protein synthase, PDB:1FJ4). The docking results demonstrated that lower free energy of binding (FEB) was obtained from the synthesized compounds ranging from −5.1 to −9.6 kcal/mol for 3IX3, −4.9 to −7.8 kcal/mol for 1FJ4, and −4.4 to −8.5 kcal/mol for 4UMX. http://www.ajchem-a.com/article_134894_f0312def6729c29ab930db6722a79c85.pdfSami Publishing CompanyAdvanced Journal of Chemistry, Section A2645-77684420210701ESKAPE Pathogens: Structure-Activity Relationships of 2,4-Diarylquinolines33934413535510.22034/ajca.2021.297580.1278ENKola AugustusOluwafemiDepartment of Chemical Sciences, Adekunle Ajasin University, Akungba-Akoko, Nigeria0000-0003-1480-0570Journal Article20210731Drug resistance by persisters is a global issue that requires urgent attention. Quinolines and quinolones have proven to be important cores in several bioactive organic chemotypes, based on this, the antimicrobial activity of six derivatives of 2,4-diarylquinolines was evaluated using the disc diffusion method at 5-20 µM/mL. The bioactivity evaluation was conducted on four bacteria examples, two of which are ESKAPE bacteria (<em>Staphylococcus aureus</em>, <em>Streptococcus pneumonia</em>, <em>Escherichia coli</em> and <em>Pseudomonas aeruginosa</em>). The results indicated promising minimum inhibitory concentrations (5 and 10 µM/mL in some cases) and encouraging zones of inhibition against the 4 germs while interesting and reasonable structure-activity relationships were established at the end of the study.http://www.ajchem-a.com/article_135355_8e225ab609979a7397232633e02e25eb.pdf