Bulletin of the Chemical Society of Ethiopia最新文献_第8页

Novel pyrrolo[2,3-b]pyridine and pyrrolo[2,3-d] pyrimidine derivatives: Design, synthesis, and structure elucidation 新型吡咯并[2,3-b]吡啶和吡咯并[2-3-d]嘧啶衍生物的设计、合成和结构鉴定

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2023-05-12 DOI: 10.4314/bcse.v37i4.14

Khaled M.H. Hilmy, Fawzya N.M. Kishk, Esmat B.A. Shahen, Mohamed A. Hawata

{"title":"Novel pyrrolo[2,3-b]pyridine and pyrrolo[2,3-d] pyrimidine derivatives: Design, synthesis, and structure elucidation","authors":"Khaled M.H. Hilmy, Fawzya N.M. Kishk, Esmat B.A. Shahen, Mohamed A. Hawata","doi":"10.4314/bcse.v37i4.14","DOIUrl":"https://doi.org/10.4314/bcse.v37i4.14","url":null,"abstract":"ABSTRACT. A cyclo condensation reaction is an effective method for a two-component reaction of 2-amino-1,5-diphenyl-1H-pyrrole-3-carbonitrile 3a-c and active methylene compounds in acetic acid and catalytic hydrochloric acid to produce new substituted 1H-pyrrolo[2,3-b]pyridine 4a-c, 5a-c, and 6a-c have been established. Additionally, a new series of substituted 1H-pyrrolo[2,3-d]pyrimidines 7a-c and 8a-c could be synthesized utilizing a feasible and efficient approach, including urea and thiourea substrates. Spectroscopic data IR, MS, 1H, and 13C NMR, as well as elemental analyses, elucidated these compounds' structures. \u0000 \u0000KEY WORDS: 1H-Pyrrolo[2,3-b]pyridine, 1H-Pyrrolo[2,3-d]pyrimidines, Active methylene compounds \u0000 \u0000Bull. Chem. Soc. Ethiop. 2023, 37(4), 983-992. \u0000DOI: https://dx.doi.org/10.4314/bcse.v37i4.14 ","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":" ","pages":""},"PeriodicalIF":1.2,"publicationDate":"2023-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44561945","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

Effect of chemical composition on the electrochemical and wear behavior of boron carbide reinforced copper composites 化学成分对碳化硼增强铜复合材料电化学和磨损行为的影响

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2023-05-12 DOI: 10.4314/bcse.v37i4.12

T. Albert, D. Prince Sahaya Sudherson, K. Kalaiselvan, N. Leema

{"title":"Effect of chemical composition on the electrochemical and wear behavior of boron carbide reinforced copper composites","authors":"T. Albert, D. Prince Sahaya Sudherson, K. Kalaiselvan, N. Leema","doi":"10.4314/bcse.v37i4.12","DOIUrl":"https://doi.org/10.4314/bcse.v37i4.12","url":null,"abstract":"ABSTRACT. In this work, the Copper composites Cu-x wt. % B4C (x = 0, 5, 10, 15, 20) were fabricated for the metallurgical and mechanical property evaluation as per ASTM standards. The metallurgical characterization tests on the samples include x-ray diffraction, optical microscopy, and scanning electron microscopy with EDX. Further, pin-on-disc apparatus was used to investigate the tribological behavior of composite specimens. An SEM micrograph of the worn surface and wear debris, along with the Gwyddion software, has been used to discuss the wear mechanisms in detail. The Artificial Neural Networks (ANN) classifier model is also constructed to describe the wear behavior in more detail. The experimental results inferred that the addition of Boron carbide particles has enhanced the Copper's corrosion resistance in a 1 M HCl electrolyte solution from 30.34% to 74.2%, 75.08%, and 83.29% with B and C ions. Also, it significantly enhance the mechanical and tribological characteristics considerably. \u0000 \u0000KEY WORDS: Powder metallurgy, Cu-B4C, Gwyddion, Wear, Artificial Neural Network \u0000 \u0000Bull. Chem. Soc. Ethiop. 2023, 37(4), 959-972. \u0000DOI: https://dx.doi.org/10.4314/bcse.v37i4.12 ","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":" ","pages":""},"PeriodicalIF":1.2,"publicationDate":"2023-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43959366","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

Synthesis and characterization of quercetin-layer double hydroxide (LDH) nanohybrid and their enhanced antioxidant activity 槲皮素层双氢氧化物(LDH)纳米杂化物的合成、表征及其抗氧化活性的增强

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2023-05-12 DOI: 10.4314/bcse.v37i4.10

Y. Christabel Shaji, D. DeenaRose, C. Ramesh Kannan, M. Aruna, Y. Brucely

{"title":"Synthesis and characterization of quercetin-layer double hydroxide (LDH) nanohybrid and their enhanced antioxidant activity","authors":"Y. Christabel Shaji, D. DeenaRose, C. Ramesh Kannan, M. Aruna, Y. Brucely","doi":"10.4314/bcse.v37i4.10","DOIUrl":"https://doi.org/10.4314/bcse.v37i4.10","url":null,"abstract":"ABSTRACT. This research included the synthesis of pristine nitrate-type Zn2Al-LDH by means of Co-precipitation, which was then followed by hydrothermal treatment. Ion exchange is used to stabilize the produced pristine LDH nano layer, which is used for the encapsulation of bioactive molecules. Quercetin, which has an antioxidant function, is used. XRD was used to investigate the newly synthesized quercetin-LDH (QC-LDH) compound. Quercetin was discovered to be entirely deprotonated as a result of XRD research, and it was also shown to be stabilized in between LDH lattices as a result of electrostatic contact. On the basis of the diphenyl picrylhydrazyl (DPPH) method, the anti-oxidant property was discussed, and it was discovered that the quercetin that was free from the LDH layer helped as an owing antioxidant to scavenge DPPH radicals in ethanol solvent at concentrations ranging from 80-100%, depending on the concentration level. The powder X-ray diffraction patterns indicate that the incorporation of quercetin into the interlayer led to an expansion of the interlayer arrangement to 0.88 and 1.46 nm, respectively. According to the findings of a variety of characterization techniques, the QC-LDH may be regarded as a good antioxidant material with potential drug delivery system. \u0000 \u0000KEY WORDS: Layer double hydroxide, Antioxidant activity, Quercetin, Biocompatibility \u0000Bull. Chem. Soc. Ethiop. 2023, 37(4), 917-929. \u0000DOI: https://dx.doi.org/10.4314/bcse.v37i4.9","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":" ","pages":""},"PeriodicalIF":1.2,"publicationDate":"2023-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45079627","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

Syntheses of novel disperse dyes based on arylazophenols: Synthesis, characterizations and applications 芳基苯氧基新型分散染料的合成、表征及应用

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2023-05-12 DOI: 10.4314/bcse.v37i4.15

Morsy Ahmed El-Apasery, Mahmoud Elsayed Ahmed Abdellatif, Fathy Ahmed Yassin, Sara Morsy Ahmed

{"title":"Syntheses of novel disperse dyes based on arylazophenols: Synthesis, characterizations and applications","authors":"Morsy Ahmed El-Apasery, Mahmoud Elsayed Ahmed Abdellatif, Fathy Ahmed Yassin, Sara Morsy Ahmed","doi":"10.4314/bcse.v37i4.15","DOIUrl":"https://doi.org/10.4314/bcse.v37i4.15","url":null,"abstract":"ABSTRACT. Three compounds, phenyl propenone, p-tolyl propenone, and bromo phenylpropenone derivatives 3a-c were produced in good yields via condensation derivatives of acetophenone with dimethyl formamide dimethyl acetal (DMFDMA) in presence of xylene as a solvent. Compounds 5a-f were produced by coupling the enaminones 3a-c with diazonium chloride 4a or 4b. Compounds 5a-f were reacted with acetone to create novel disperse dyes 9a-f. Mass spectra, (FT-IR), elemental analysis, and 1H-NMR spectra were used to confirm the chemical structure of the new dyes. The new disperse dyes were used in dyeing polyester fabrics at low temperature, and fabrics with colors ranging from yellowish brown to dark yellowish brown were obtained. Thus, the different fastness properties of these dyed fabrics were studied, which gave excellent results. Finally, the biological activity of these new dyes was studied, which showed that they have biological activity against bacteria and fungi. \u0000 \u0000KEY WORDS: Azo dye, Carrier, Low temperature dyeing, Arylazophenols, Color fastness \u0000Bull. Chem. Soc. Ethiop. 2023, 37(4), 993-1002. \u0000DOI: https://dx.doi.org/10.4314/bcse.v37i4.15 ","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":" ","pages":""},"PeriodicalIF":1.2,"publicationDate":"2023-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47578518","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

Synthesis, characterization, antimicrobial studies, and molecular docking studies of transition metal complexes formed from a benzothiazole-based azo ligand 苯并噻唑偶氮配体过渡金属配合物的合成、表征、抗菌研究和分子对接研究

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2023-05-12 DOI: 10.4314/bcse.v37i4.9

Saud I. Al-Resayes, Amer J. Jarad, Jinan M. M. Al-Zinkee, T. H. Al-Noor, M. M. El-ajaily, Mohnad Abdalla, Kim Min, M. Azam, R. K. Mohapatra

{"title":"Synthesis, characterization, antimicrobial studies, and molecular docking studies of transition metal complexes formed from a benzothiazole-based azo ligand","authors":"Saud I. Al-Resayes, Amer J. Jarad, Jinan M. M. Al-Zinkee, T. H. Al-Noor, M. M. El-ajaily, Mohnad Abdalla, Kim Min, M. Azam, R. K. Mohapatra","doi":"10.4314/bcse.v37i4.9","DOIUrl":"https://doi.org/10.4314/bcse.v37i4.9","url":null,"abstract":"ABSTRACT. The azo ligand obtained from the diazotization reaction of 2-aminobenzothiazole and 4-nitroaniline yielded a novel series of complexes with Co(II), Ni(II), Cu(II), and Zn(II) ions. The complexes were investigated using spectral techniques such as UV-Vis, FT-IR, 1H and 13C NMR spectroscopic analyses, LC-MS and atomic absorption spectrometry, electrical conductivity, and magnetic susceptibility. The molar ratio of the synthesized compounds was determined using the ligand exchange ratio, which revealed the metal-ligand ratios in the isolated complexes were 1:2. The synthesized complexes were tested for antimicrobial activity against S. aureus, E. coli, C. albicans, and C. tropicalis bacterial species. Additionally, their binding affinities were predicted using molecular docking analysis, and their pharmacokinetic and drug-likeness properties were evaluated. \u0000 \u0000KEY WORDS: Azo ligand, Metal complexes, Antimicrobial studies, Molecular docking study \u0000 \u0000Bull. Chem. Soc. Ethiop. 2023, 37(4), 931-944. \u0000DOI: https://dx.doi.org/10.4314/bcse.v37i4.10","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":" ","pages":""},"PeriodicalIF":1.2,"publicationDate":"2023-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47812203","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

Optimization of modified QuEChERS method for extraction of selected pharmaceuticals from vegetable samples using HPLC 改良QuEChERS高效液相色谱法提取蔬菜样品中选定药物的优化研究

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2023-05-12 DOI: 10.4314/bcse.v37i4.3

B. Tegegne, Bhagwan Singh Chandravanshi, F. Zewge, L. Chimuka

{"title":"Optimization of modified QuEChERS method for extraction of selected pharmaceuticals from vegetable samples using HPLC","authors":"B. Tegegne, Bhagwan Singh Chandravanshi, F. Zewge, L. Chimuka","doi":"10.4314/bcse.v37i4.3","DOIUrl":"https://doi.org/10.4314/bcse.v37i4.3","url":null,"abstract":" \u0000ABSTRACT. Optimized QuEChERS (quick, easy, cheap, effective, rugged and safe) method of sample preparation was employed for five selected pharmaceutical compounds on its advantage of simplicity, less extraction solvent and extraction time. Different parameters affecting the extraction efficiency of the target analyte was optimized. Since QuEChERS was developed for pesticides, uses of the method for pharmaceuticals need modification and evaluation of different parameters. Clean-up sorbents were evaluated for their matrix effect removal after extraction and a combination of d-SPE sorbent, MgSO4, PSA, C18 and diatomaceous earth found to be selective clean-up sorbent for the targeted compounds. The addition and amount of diatomaceous earth and EDTA during the clean-up and extraction steps, respectively, were also examined and the amount was optimized. Solvent type and composition, salt type and extraction time were also optimized and methanol, MgSO4 with NaCl salt and 5 min extraction time was obtained. The method was successfully applied to different vegetable samples collected from Addis Ababa, Ethiopia and Johannesburg, South Africa (carrot, cabbage and lettuce) and none of the target analytes were found in the sample investigated. The matrix effect study on vegetable samples collected was found very high that suppresses the signal during analysis. \u0000 \u0000KEY WORDS: QuEChERS, EDTA, Pharmaceuticals, Vegetable, HPLC \u0000Bull. Chem. Soc. Ethiop. 2023, 37(4), 831-844. \u0000DOI: https://dx.doi.org/10.4314/bcse.v37i4.3","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":" ","pages":""},"PeriodicalIF":1.2,"publicationDate":"2023-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46186661","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

Design, synthesis, and cytotoxic activity of some novel N-(substituted) benzamide derivatives bearing coumarin and 1-azocoumarin compounds 一些含有香豆素和1-偶氮香豆素化合物的新型N-(取代)苯酰胺衍生物的设计、合成和细胞毒性活性

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2023-05-12 DOI: 10.4314/bcse.v37i4.16

G. H. Al-Hazmi

{"title":"Design, synthesis, and cytotoxic activity of some novel N-(substituted) benzamide derivatives bearing coumarin and 1-azocoumarin compounds","authors":"G. H. Al-Hazmi","doi":"10.4314/bcse.v37i4.16","DOIUrl":"https://doi.org/10.4314/bcse.v37i4.16","url":null,"abstract":"ABSTRACT. Among oxygen-containing heterocyclic compounds such as coumarin and azacoumarin derivatives, the scaffold has become an important construction motif for developing new drugs. Coumarin and its derivatives possess many types of biological activities and have been reported to show significant cytotoxic activity. N-(6,8-disubstituted coumarin-3-yl)benzamides (8a-c) namely (3-N-(benzoyl) aminocoumarin-6-ylmethyl acetate (8a); N-[6-(1-acetylpyrazol-3-yldiazineyl) coumarin-3-yl] benzamide (8b); N-(8-methoxy-6-bromo-coumarin-3-yl) benzamide (8c), were synthesized via a cyclocondensation reaction of 5-(chloromethyl)-2-hydroxybenzaldehyde (3), 5-(pyrazol-3-yl-diazineyl)-2-hydroxybenzaldehyde (4), and 5-bromo-3-methoxy- 2-hydroxybenzaldehyde (5) with N-benzoylglycine (7), in good yield. Treatment of compound 8c with ammonia in the presence of anhydrous potassium carbonate to yield N-(5-bromo-8-methoxy-1-azocoumarin-3-yl) benzamide (9). Compound (9) was acetylated with acetic anhydride to give N-(2-acetoxy-5-bromo-8-methoxyquinolin-3-yl) benzamide (10). N-(substituted coumarin and azacoumarin-3-yl) benzamides (8-10) were tested for their in vitro cytotoxic activity against (HepG2) cell line. Furthermore, DNA flow cytometry investigation over HepG2 cells indicated that compound 8a demonstrated arrest at G1/S stages of the cell cycle and induction of apoptosis by rising pre-G1 stage. Compound 8a displayed a significant tubulin polymerization inhibition. \u0000 \u0000KEY WORDS: Synthesis, Coumarin, Azacoumarin, Drugs, Cytotoxicity \u0000Bull. Chem. Soc. Ethiop. 2023, 37(4), 1003-1019. \u0000DOI: https://dx.doi.org/10.4314/bcse.v37i4.16","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":" ","pages":""},"PeriodicalIF":1.2,"publicationDate":"2023-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41921477","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

Multi-response optimization of the characteristics of wooden fuel sources for boiler applications 锅炉用木质燃料源特性的多响应优化

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2023-05-12 DOI: 10.4314/bcse.v37i4.20

A. Karthick, N. Muthu Saravanan, A. Arul Marcel Moshi, S. Iyahraja

{"title":"Multi-response optimization of the characteristics of wooden fuel sources for boiler applications","authors":"A. Karthick, N. Muthu Saravanan, A. Arul Marcel Moshi, S. Iyahraja","doi":"10.4314/bcse.v37i4.20","DOIUrl":"https://doi.org/10.4314/bcse.v37i4.20","url":null,"abstract":"ABSTRACT. Various kinds of biomass fuels are used for boiler and other kinds of thermal applications. The presence of moisture, ash and calorific value are known to be the most significant quality factors which influence the effective performance of a biomass fuel for a plant. The reasons for measuring the above mentioned quality factors are to perform the economic analysis and to control the combustion. The relevant industries are interested to obtain a method for predicting these quality factors quickly and consistently; and also to identify biomass fuels containing optimal level of these factors. In the present work, five different biomass fuels have been considered such as rubber wood, eucalyptus wood, mixed wood (tamarind tree and neem tree woods), palm shell with fiber and juliflora woodchips. The moisture content in the considered woods have been found to be 27.74 wt.%, 37.78%, 30.19 wt.%, 23.26 wt.% and 37.01 wt.% respectively. The main objective of this work is to maximize the efficiency of production. Grey relational analysis has been carried out to optimize the moisture content, ash content and calorific value in order to achieve cost savings and fuel efficiency. Also, the economic analysis has been done with the operational costs. \u0000 \u0000KEY WORDS: Biomass, Fuels, Energy, Boiler, Optimization \u0000Bull. Chem. Soc. Ethiop. 2023, 37(4), 1055-1064. \u0000DOI: https://dx.doi.org/10.4314/bcse.v37i4.20","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":" ","pages":""},"PeriodicalIF":1.2,"publicationDate":"2023-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46222658","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

Assessment of polycyclic aromatic hydrocarbons (PAHs) in alcoholic beverages consumed in Awka, Southeast Nigeria 尼日利亚东南部奥卡消费的酒精饮料中多环芳烃（PAHs）的评估

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2023-05-12 DOI: 10.4314/bcse.v37i4.1

Vincent Nwalieji Okafor, Daniel Omeodisemi Omokpariola, Matthew Onyema Agu, Collins Chibuzor Odidika, Chiamaka Valerine Okabekwa, Lilian Chiamaka Ogbuo, Mary Cynthia Chizoba Obiatuegwu

{"title":"Assessment of polycyclic aromatic hydrocarbons (PAHs) in alcoholic beverages consumed in Awka, Southeast Nigeria","authors":"Vincent Nwalieji Okafor, Daniel Omeodisemi Omokpariola, Matthew Onyema Agu, Collins Chibuzor Odidika, Chiamaka Valerine Okabekwa, Lilian Chiamaka Ogbuo, Mary Cynthia Chizoba Obiatuegwu","doi":"10.4314/bcse.v37i4.1","DOIUrl":"https://doi.org/10.4314/bcse.v37i4.1","url":null,"abstract":"ABSTRACT. The aim of this investigation was to assess the presence of 16 PAHs (naphthalene, acenaphthylene, acenaphthene, fluorene, anthracene, phenanthrene fluoranthene, benz[a]anthracene, pyrene, chrysene, benzo[b]fluoranthene, benzo[k]fluoranthene, benzo[a]pyrene, dibenzo[a,h]anthracene, benzo[ghi]perylene, and indeno[1,2,3-cd]pyrene with symbols Nap, Ace, Ane, Flu, Ant, Phe, Flt, BaA, Pyr, Chr, BbF, BkF, BaP, DahA, BghiP and InP, respectively) in alcoholic beverages consumed in Awka, Southeast Nigeria. The samples used were sourced from international, national, and local-based alcoholic beverages sold in Nigeria, which were analysed for the 16 priority PAHs components using gas chromatography-flame ionization detector (GC-FID) in order to quantify and offer advice to the public on the health implications of consuming these alcoholic beverages. The results show the absence of all the PAHs in all the alcoholic beverages, which could be due to lower temperature and shorter production duration utilized in the production process. This is because during the intense heating of raw materials or additives, PAHs are released. Therefore, the consumption of these alcoholic beverages is safe for consumers and poses no health risk that is detrimental to adults or children. As such, further research into other micropollutants and toxins is advocated to maintain current good manufacturing practices for quality. \u0000KEY WORDS: Alcoholic beverages, Food analysis, Public health, PAHs, GC-FID, Southeast Nigeria \u0000 \u0000Bull. Chem. Soc. Ethiop. 2023, 37(4), 805-815. \u0000DOI: https://dx.doi.org/10.4314/bcse.v37i4.1 \u0000 ","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":" ","pages":""},"PeriodicalIF":1.2,"publicationDate":"2023-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49414540","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

Growth, characterization and chemical computations of guanidinium trichloroacetate (GTCA) single crystal – DFT approach 三氯乙酸胍(GTCA)单晶生长、表征及化学计算- DFT法

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2023-05-12 DOI: 10.4314/bcse.v37i4.18

R. Sreedevi, A. S.I. Joy Sinthiya, T. Joselin Beaula, T. Balu, P. Murugakoothan

{"title":"Growth, characterization and chemical computations of guanidinium trichloroacetate (GTCA) single crystal – DFT approach","authors":"R. Sreedevi, A. S.I. Joy Sinthiya, T. Joselin Beaula, T. Balu, P. Murugakoothan","doi":"10.4314/bcse.v37i4.18","DOIUrl":"https://doi.org/10.4314/bcse.v37i4.18","url":null,"abstract":"ABSTRACT. Nonlinear optical (NLO) active guanidinium trichloroacetate (GTCA) crystal was synthesised and grown by using slow evaporation solution growth technique from mixed solvent. The grown crystal was characterized by single crystal X-ray diffraction (SXRD) and powder X-ray diffraction (PXRD) analysis. Fourier transform infrared (FTIR) spectrum of GTCA was recorded and the frequency assignments of various functional groups were compared with theoretical values. Mechanical strength of the grown crystal was studied using Vickers micro hardness tester. Thermal stability was studied using TG/DTA analyser. UV-Vis-NIR spectrum was recorded and the band gap energy was calculated. Geometry optimizations, first order hyperpolarizability, HOMO-LUMO energy gap, global reactive constants, thermodynamic properties, molecular electrostatic potential (MESP) and charge population were computed using B3LYP/6-31 G(d,p) basis set and DFT method and analysed. \u0000 \u0000KEY WORDS: PXRD, FTIR, TG-DTA, DFT, NBO, Charge population \u0000 \u0000Bull. Chem. Soc. Ethiop. 2023, 37(4), 1033-1045. \u0000DOI: https://dx.doi.org/10.4314/bcse.v37i4.18 ","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":" ","pages":""},"PeriodicalIF":1.2,"publicationDate":"2023-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42352167","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