Bulletin of the Chemical Society of Ethiopia最新文献_第6页

Exploring the effect of chromium doping on electronic properties, half-metallic and ferromagnetism on AlSb DMS compound through first-principles calculations 通过第一原理计算探索铬掺杂对 AlSb DMS 化合物的电子特性、半金属性和铁磁性的影响

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-01-23 DOI: 10.4314/bcse.v38i2.2

Zakaria El Merzouki, Elhassan Benhsin, Mohammed Cherraj

{"title":"Exploring the effect of chromium doping on electronic properties, half-metallic and ferromagnetism on AlSb DMS compound through first-principles calculations","authors":"Zakaria El Merzouki, Elhassan Benhsin, Mohammed Cherraj","doi":"10.4314/bcse.v38i2.2","DOIUrl":"https://doi.org/10.4314/bcse.v38i2.2","url":null,"abstract":"With the aim of improving and investigating magnetocaloric insights for spintronic applications, we investigated the electronic structure of Cr-doped AlSb compounds via first-principles calculations using the KKR-CPA-DFT method. Here, we investigated the stability of alloy materials as a function of magnetic contamination. A stable semimetallic ferromagnetic phase can be obtained by introducing the Cr element into AlSb, which is inherent in nonmagnetic semiconductors. The total magnetic moment of the doped material changes from 0.1167 μB to 0.716 μB for 4% and 25% Cr, respectively. Curie temperature changed to 740 K at 25% Cr concentration. \u0000KEY WORDS: Magnetic materials, Semiconductor, Alloys, Impurities \u0000Bull. Chem. Soc. Ethiop. 2024, 38(2), 297-304. \u0000DOI: https://dx.doi.org/10.4314/bcse.v38i2.2 ","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139604585","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

Ce and Fe complexes as potent antifungal agents for wallpapers 作为墙纸防霉剂的 Ce 和 Fe 复合物

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-01-23 DOI: 10.4314/bcse.v38i2.7

Rania H. Taha, Nowarah J Almutlq, Tarek A. Seaf Elnasr, Mutairah S. Alshammari, Sabrein H. Mohamed, Shaimaa M.N. Moustafa

引用次数: 0

Fabrication of and corrosion prevention mechanisms of tin oxide (SnO2) decorated reduced graphene oxide (rGO) for anodic protection of Zn metal surfaces 用于锌金属表面阳极保护的氧化锡（SnO2）装饰还原氧化石墨烯（rGO）的制备和防腐蚀机理

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-01-23 DOI: 10.4314/bcse.v38i2.12

Haewon Byeon, V. Puvana Devi, P. Peter Anandkumar, Ashwini Balakumar, S. Bharathi Raja, D. Prince Sahaya Sudherson, J. Sunil

{"title":"Fabrication of and corrosion prevention mechanisms of tin oxide (SnO2) decorated reduced graphene oxide (rGO) for anodic protection of Zn metal surfaces","authors":"Haewon Byeon, V. Puvana Devi, P. Peter Anandkumar, Ashwini Balakumar, S. Bharathi Raja, D. Prince Sahaya Sudherson, J. Sunil","doi":"10.4314/bcse.v38i2.12","DOIUrl":"https://doi.org/10.4314/bcse.v38i2.12","url":null,"abstract":"The hydrothermal approach was utilized to prepare SnO2 and rGO-SnO2 composite, and its physicochemical properties and corrosion resistance application are examined in this study. The results suggest that the SnO2, rGO-SnO2 composite exhibits a well-defined and uniform morphology, with SnO2 NPs homogeneously distributed and anchored on the rGO. XRD analysis confirms the crystalline tetragonal structure with 19.1 nm and 20.8 crystalline size. Further, the corrosion resistance application of the rGO-SnO2 composite is evaluated through electrochemical measurements, such as potentiodynamic polarization and electrochemical impedance spectroscopy (EIS). The composite-coated substrate is subjected to NaCl electrolyte using a Zn plate. The corrosion performance is compared with that of bare Sn and rGO-SnO2 counterparts to assess the synergistic effect of the composite which exhibits enhanced anticorrosion properties. The synergistic effect of Sn and rGO in the composite offers superior corrosion resistance, making it a promising material for various corrosion-prone applications. Overall, the findings contribute to developing novel and effective strategies for combating corrosion, ensuring the durability and reliability of materials in diverse industrial environments. \u0000KEY WORDS: Sn-rGO composite, Tafel plot, Corrosion protection, Surface analysis, Synergistic effect \u0000Bull. Chem. Soc. Ethiop. 2024, 38(2), 445-456. \u0000DOI: https://dx.doi.org/10.4314/bcse.v38i2.12","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139604997","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

Efficacy of fumigant compounds from essential oil of feverfew (Chrysanthemum parthenium L.) against maize weevil (Sitophilus zeamais Mots.): Fumigant toxicity test and in-silico study 发烟草（Chrysanthemum parthenium L.）精油中的熏蒸剂化合物对玉米象鼻虫（Sitophilus zeamais Mots.）的功效：熏蒸剂毒性试验和微观研究

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-01-23 DOI: 10.4314/bcse.v38i2.13

Fekade Beshah Tessema, Aweke Mulu Belachew, Yilma Hunde Gonfa, Tilahun Belayneh Asfaw, Zelalem Gizachew Admassie, Archana Bachheti, Rakesh Kumar Bachheti, Mesfin Getachew Tadesse

{"title":"Efficacy of fumigant compounds from essential oil of feverfew (Chrysanthemum parthenium L.) against maize weevil (Sitophilus zeamais Mots.): Fumigant toxicity test and in-silico study","authors":"Fekade Beshah Tessema, Aweke Mulu Belachew, Yilma Hunde Gonfa, Tilahun Belayneh Asfaw, Zelalem Gizachew Admassie, Archana Bachheti, Rakesh Kumar Bachheti, Mesfin Getachew Tadesse","doi":"10.4314/bcse.v38i2.13","DOIUrl":"https://doi.org/10.4314/bcse.v38i2.13","url":null,"abstract":"Post-harvest insects are among the significant problems in the agricultural sector. The most accessible tools available for managing post-harvest arthropod-pests are fumigants because of the convenience of their applications and fast action in disinfecting. This study aimed to examine the fumigant toxicity of essential oil (EO) against maize weevil and identify the specific fumigants among the major components. The EO was extracted from aerial part of Chrysanthemum parthenium L. using Clevenger apparatus and was tested for fumigant toxicity. GC-MS was used to determine the chemical composition of EO. The major components were identified and screened virtually using Auto dock vina 1.2. in PyRx 0.8 platform. Dm AChE PDB ID: 6XYY was used as a target for molecular docking and malathion and pirimiphusmethyl were used as a reference for comparison. From the results of binding affinities, most of the major EO components showed better fumigant activity than the reference fumigants. More specifically 1,6-dioxaspiro[4,4]non-ene, b-farensen, bornyl-tiglate, g-terpinene, p-cymene, bornyl-acetate, bornyl-isovalerate, terpinen-4-ol, trans-chrysanthenyl-acetate and a-phellandrene were found to be effective fumigants against maize weevil. The above findings suggest that the EO of the aerial part of C. parthenium can be a potential candidate for the development of novel natural fumigants for stored products. \u0000KEY WORDS: Essential oil, Fumigants, Insecticides, Binding affinity, Maize weevil \u0000Bull. Chem. Soc. Ethiop. 2024, 38(2), 457-472. \u0000DOI: https://dx.doi.org/10.4314/bcse.v38i2.13","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139604256","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

Employing zinc oxide nanoparticle coating as a corrosion inhibitor for magnesium alloys in distinct aqueous electrolyte 使用氧化锌纳米粒子涂层作为镁合金在不同水性电解液中的缓蚀剂

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-01-23 DOI: 10.4314/bcse.v38i2.10

Haewon Byeon, V. S. Sreenivasan, Amaravadi Rama Krishna, Charudatta P. Thosar, Shrikant B. Randhavane, Deepak Singh Baghel, J. Sunil

{"title":"Employing zinc oxide nanoparticle coating as a corrosion inhibitor for magnesium alloys in distinct aqueous electrolyte","authors":"Haewon Byeon, V. S. Sreenivasan, Amaravadi Rama Krishna, Charudatta P. Thosar, Shrikant B. Randhavane, Deepak Singh Baghel, J. Sunil","doi":"10.4314/bcse.v38i2.10","DOIUrl":"https://doi.org/10.4314/bcse.v38i2.10","url":null,"abstract":"In this investigation, zinc oxide nanoparticles were synthesised using a straightforward microwave-assisted technique. Results showed that the synthesised nanoparticles were hexagonal wurtzite ZnO-nanoparticles with a crystallite size of 6.76 nm, as determined by physio-chemical methods. It reveals, at varying magnifications, the irregularly aggregated, spherically shaped sponge-like structure. Using Fourier transform infrared spectroscopy, corresponding functional groups on ZnO surfaces have been observed. According to absorption measurements, the direct optical bandgap is around 3.29 eV. The photoluminescence spectra may be used to detect crystal defects in the ZnO lattice by looking for red emission and blue band edge emission. An investigation into the anticorrosion capabilities of zinc oxide nanoparticles was conducted, which revealed that the particles have beneficial characteristics when coated with magnesium (Mg) substrates. These materials are evaluated for corrosive resistance with and without a protective coating. Results show that coating significantly increased the protection rate under different electrolyte conditions. Compared to bare Mg plate, the charge transfer resistance Rct was increased when ZnO nanoparticles were coated. \u0000KEY WORDS: Zinc oxide nanoparticle, Microwave irradiation, Corrosion resistance, magnesium alloy \u0000Bull. Chem. Soc. Ethiop. 2024, 38(2), 417-430. \u0000DOI: https://dx.doi.org/10.4314/bcse.v38i2.10","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139604677","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

Antioxidant novel activities of curcumin complexes with Mg(II), Ca(II), Cu(II), Cr(III) and Se(IV) metal ions: synthesis and spectral studies 姜黄素与 Mg(II)、Ca(II)、Cu(II)、Cr(III) 和 Se(IV) 金属离子复合物的新型抗氧化活性：合成与光谱研究

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-01-23 DOI: 10.4314/bcse.v38i2.6

Samy M. El-Megharbel, Safa H. Qahl, Khaled Althobaiti, Eman H. Al-Thubaiti, Reham Z. Hamza

{"title":"Antioxidant novel activities of curcumin complexes with Mg(II), Ca(II), Cu(II), Cr(III) and Se(IV) metal ions: synthesis and spectral studies","authors":"Samy M. El-Megharbel, Safa H. Qahl, Khaled Althobaiti, Eman H. Al-Thubaiti, Reham Z. Hamza","doi":"10.4314/bcse.v38i2.6","DOIUrl":"https://doi.org/10.4314/bcse.v38i2.6","url":null,"abstract":"Curcumin (Cur) metal complexes of Mg(II), Ca(II), Cu(II), Cr(III), and Se(IV) were prepared and characterized using elemental analysis, molar conductance, IR, UV-spectra, 1H NMR, SEM, TEM, and X-ray diffraction. The very low values of molar conductance confirm that Cl- ions are absent inside or outside the chelation sphere confirming their non-electrolytic nature, while for Cr(III) Cur is high compared to other curcumin complexes, confirming that Cl- ions are inside the complexation sphere. Based on IR and electronic spectra, the Cur C=O group in enol form chelated to Mg(II), Ca(II), Cu(II), Cr(III), and tetravalent metal (Se). The surface morphology of the curcumin chelates showed an increase in particle size and irregular grains shaped with an elongated morphology. Transmission electron microscopy revealed that the Cur chelates have spherical black spots like shape with a particle size of 72.21-88.75 nm, 34.89-57.33 nm, and 80.71-100 nm for Cu(II), Zn(II), and Se(IV) Cur respectively. X–ray powder diffraction patterns for Cu(II) Cur complexes showed particle size within 70-90 nm; the antioxidant activities of Cur and its metal complexes were assessed. Results showed that the Cur complexes with Cr, Mg, Ca, Cu, or Se showed potent antioxidant activities. Further studies could evaluate the potency of these complexes to elevate the antioxidant defense system and enhance body functions against degenerative diseases, such as aging, Alzheimer's disease, and viral diseases. \u0000KEY WORDS: Curcumin, Mg/Cur, Cu/Cur, Se/Cur, Electronic spectra, Antioxidant, Oxidative stress \u0000Bull. Chem. Soc. Ethiop. 2024, 38(2), 347-363. \u0000DOI: https://dx.doi.org/10.4314/bcse.v38i2.6","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139603292","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

Spectroscopic, physicochemical characterizations and photonics applications on boron subphthalocyanine chloride as organic electronics 氯化亚酞菁硼作为有机电子器件的光谱、物理化学特征和光子学应用

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-01-23 DOI: 10.4314/bcse.v38i2.19

Arwa Alrooqi, Amal A. Alshehri, Zahra M. Al-Amshany, Laila M. Al-Harbi, Tariq A. Altalhi, M. S. Refat, A. A. Atta, Gaber A. M. Mersal, A. M. Hassanien, Kareem A. Asla

{"title":"Spectroscopic, physicochemical characterizations and photonics applications on boron subphthalocyanine chloride as organic electronics","authors":"Arwa Alrooqi, Amal A. Alshehri, Zahra M. Al-Amshany, Laila M. Al-Harbi, Tariq A. Altalhi, M. S. Refat, A. A. Atta, Gaber A. M. Mersal, A. M. Hassanien, Kareem A. Asla","doi":"10.4314/bcse.v38i2.19","DOIUrl":"https://doi.org/10.4314/bcse.v38i2.19","url":null,"abstract":"This work shows the structural, thermogravimetric, optical, and electrochemical properties of boron subphthalocyanine chloride (B-subPc-Cl) as organic electronic material. The Fullprof Suite program and Rietveld analysis were used to refine and index the crystal structure of B-subPc-Cl. The thermogravimetric analysis (TGA) and the differential thermogravimetric analysis (dTG) were used to study the kinetic thermogravimetric factors using the Horowitz-Metzger's and Coats-Redfern methods. The absorption spectra of B-subPc-Cl contain two strong absorption bands (Soret-like band and Q-like band). The oscillator strength and electrical dipole strength were estimated by using a Gaussian fitting of the molar absorptivity (εmolar) of the B-subPc-Cl. The HOMO-LUMO and the band gap of B-subPc-Cl were calculated by using cyclic voltammetry measurement. Details of the UV-Vis –NIR absorption spectra and optical band gap for B-subPc-Cl are also provided. Density-functional theory (DFT) method has been utilized to obtain geometrically optimized structure for the studied compound. The theoretical calculations agreed with the experimental results. The obtained results point out the prospects of B-subPc-Cl for the organic electronic applications. \u0000KEY WORDS: Subphthalocyanine, Optical properties, TGA, Cyclic voltammetry, DFT method \u0000Bull. Chem. Soc. Ethiop. 2024, 38(2), 527-538. \u0000DOI: https://dx.doi.org/10.4314/bcse.v38i2.19 \u0000 ","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139603356","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

Three Co(II), Ni(II) and Cu(II) Schiff base complexes incorporating 2-[(4-{[(4-methylphenyl)sulfonothioyl]oxy}phenyl)methylene] amino}benzoic acid: Synthesis, structural, dft, biological and molecular docking investigation 含有 2-[(4-{[(4-甲基苯基)磺噻酰]氧基}亚苯基)亚甲基]氨基}苯甲酸的三种 Co(II)、Ni(II) 和 Cu(II) 席夫碱配合物：合成、结构、DFT、生物学和分子对接研究

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-01-23 DOI: 10.4314/bcse.v38i2.5

W. Derafa, Nadia A.A. Elkanzi, Ali M. Ali, A. Abdou

{"title":"Three Co(II), Ni(II) and Cu(II) Schiff base complexes incorporating 2-[(4-{[(4-methylphenyl)sulfonothioyl]oxy}phenyl)methylene] amino}benzoic acid: Synthesis, structural, dft, biological and molecular docking investigation","authors":"W. Derafa, Nadia A.A. Elkanzi, Ali M. Ali, A. Abdou","doi":"10.4314/bcse.v38i2.5","DOIUrl":"https://doi.org/10.4314/bcse.v38i2.5","url":null,"abstract":"New 2-[(4-[(4-methylphenyl)sulfonothioyl)methylene]aminobenzoic acid ligand-Co(II), Ni(II), and Cu(II) complexes are synthesized and characterized in this article. Elemental analysis, mass spectroscopy, conductivity tests, magnetic susceptibility, Fourier transform infrared spectroscopy, thermogravimetric analysis, electronic absorption spectroscopy, and density functional theory calculations were used to determine the coordination mode, and geometry of the synthesized compounds. The Schiff-base ligand was shown to be mono-negatively charged and coordinate to metal ions in a bi-dentate mode through azomethine nitrogen (-CH=N-) and carboxylic Oxygen (-COOH). Density functional theory (DFT) calculations were performed in addition to the experimental data to assess the most probable structures of the complexes. In addition, the biological activities of these compounds were evaluated by in vitro antibacterial and antifungal assays. These novel Co(II), Ni(II), and Cu(II) compounds were shown to be active against a wide variety of microorganisms, including Gram-positive and Gram-negative bacteria, as well as fungi. Following that, molecular docking was used to analyze the complexes' interactions with bacterial proteins, validating the therapeutic potential of the metal-containing compounds. \u0000KEY WORDS: Metal complexes, Schiff-base, DFT, Antibacterial, Antifungal, Molecular docking \u0000Bull. Chem. Soc. Ethiop. 2024, 38(2), 325-346. \u0000DOI: https://dx.doi.org/10.4314/bcse.v38i2.5","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139604640","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

Geometry optimization and energy parameter calculations using density-functional theory method and molecular docking of anticonvulsant therapeutic metal complexes of gabapentin 利用密度泛函理论方法对加巴喷丁的抗惊厥治疗金属复合物进行几何优化和能量参数计算以及分子对接

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-01-23 DOI: 10.4314/bcse.v38i2.18

Amnah Mohammed Alsuhaibani, M. S. Refat, Abdel Majid A. Adam, Mohamed I. Kobeasy, M. Y. El-Sayed, Kareem A. Asla

{"title":"Geometry optimization and energy parameter calculations using density-functional theory method and molecular docking of anticonvulsant therapeutic metal complexes of gabapentin","authors":"Amnah Mohammed Alsuhaibani, M. S. Refat, Abdel Majid A. Adam, Mohamed I. Kobeasy, M. Y. El-Sayed, Kareem A. Asla","doi":"10.4314/bcse.v38i2.18","DOIUrl":"https://doi.org/10.4314/bcse.v38i2.18","url":null,"abstract":"This work aims to give computational studies of Mn(II), Co(II), Ni(II) and Cu(II) complexes of gabapentin (Gpn), formulized as [M(Gpn)(H2O)3(Cl)].nH2O complexes (where n = 2-6), using DFT method. They were previously synthesized and characterized. DFT calculations are in good agreement with practical studies. Bond lengths of metal complexes reduced or increased rather than that of ligand due to complexation. Bond angles of complexes predict the octahedral environment around the central metal ions predicting sp3d2 or d2sp3hybridization. The calculated energy parameters are negative indicating stability of metal complexes. The small energy band gap of compounds predicts the higher biological activity and high tendency of electron transfer. The comparable frequencies of theoretical and experimental IR may be attributed to different phases of measurement. The induced fit docking SP G-score of the molecular interactions of drug (Gpn) and its metal(II) complexes show that all investigated compounds have a good interaction towards sertonine receptor 5-HT2C and D2 dopamine receptor proteins. Co(II)-Gpn interacts with active site residues of sertonine receptor 5-HT2C with an excellent dock score of -7.370 kcal/mol and RMSD = 1.581 Å. On the other hand, Ni(II)-Gpn has the best dock score of -6.638 kcal/mol and RMSD = 1.995 Å with D2 dopamine receptor. \u0000KEY WORDS: Gabapentin, Transition metals, DFT-method, molecular docking \u0000Bull. Chem. Soc. Ethiop. 2024, 38(2), 511-526. \u0000DOI: https://dx.doi.org/10.4314/bcse.v38i2.18","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139605407","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

Investigation and characteristics of AZ91 magnesium metal matrix composite using the powder metallurgy process 使用粉末冶金工艺研究 AZ91 镁金属基复合材料及其特性

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-01-23 DOI: 10.4314/bcse.v38i2.3

A. Vennimalai Rajan, B. Radha Krishnan, C. Mathalai Sundaram

{"title":"Investigation and characteristics of AZ91 magnesium metal matrix composite using the powder metallurgy process","authors":"A. Vennimalai Rajan, B. Radha Krishnan, C. Mathalai Sundaram","doi":"10.4314/bcse.v38i2.3","DOIUrl":"https://doi.org/10.4314/bcse.v38i2.3","url":null,"abstract":"This paper aims to investigate the mechanical and metallurgical properties of magnesium AZ91 composite. Zinc and Aluminium were selected as reinforcement particles in the Magnesium metal matrix composite. The composites 88.5%Mg-9%Al-1.5%Mn-1%Zn, 87.5%Mg-9%Al-2.5%Mn-1%Zn, 86.5%Mg-9%Al-3.5%Mn- 1%Zn, 85.5Mg-9%Al-4.5%Mn-1%Zn, 84.5%Mg-9%Al-5.5%Mn-1%Zn and 83.5%Mg-9%Al-6.5%Mn-1%Zn are prepared through powder metallurgy. The hardness and compressive tests are used to investigate the mechanical properties of the magnesium composite. The results of the mechanical properties indicate that manganese plays a vital role in improving the hardness of the AZ91 composite. The thermogravimetric analysis investigated the weight ratio % at the 400OC. The scanning electron. microscopic analysis was used to investigate the reinforcement particle's bonding level and the defects on the composite. Based on the results, the manganese plays a vital role in improving the mechanical properties of the AZ91 composite. \u0000KEY WORDS: Magnesium, Composite, Mechanical properties, Hardness, Compressive, Corrosive behaviour \u0000Bull. Chem. Soc. Ethiop. 2024, 38(2), 305-312. \u0000DOI: https://dx.doi.org/10.4314/bcse.v38i2.3","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139605514","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