Hongchen Du, Rongkai Pan, Weiwei Huan, Jie Li, Lijuan Feng
The molecular and crystal structures of myricetin have been studied using density functional theory. The geometry parameters are calculated based on the optimized molecular structure, and the thermodynamic properties “heat capacity, enthalpy and entropy” are performed using our self-programmed programme, the calculated results are consistent with literature reports. Crystal structures were predicted using the Dreiding force field and refined by DFT-GGA-RPBE method. The crystal form tends to crystalline in P-1 space group. The large calculated band gap (Eg) of the crystal proves it is stable, which is consistent with the conclusion from gas phase. The conduction band (LUCO) is mainly contributed from the p state of C atom and valence band (HOCO) from the p state of O atom. KEY WORDS: Molecular structure, Crystal structure, Myricetin, Theoretical study Bull. Chem. Soc. Ethiop. 2024, 38(5), 1469-1478. DOI: https://dx.doi.org/10.4314/bcse.v38i5.21
利用密度泛函理论对杨梅素的分子结构和晶体结构进行了研究。根据优化后的分子结构计算了几何参数，并利用自编程序对热力学性质 "热容、热焓和热熵 "进行了计算，计算结果与文献报道一致。利用 Dreiding 力场预测了晶体结构，并采用 DFT-GGA-RPBE 方法对晶体结构进行了精炼。晶体形态趋向于 P-1 空间群结晶。该晶体的计算带隙（Eg）较大，证明它是稳定的，这与气相的结论一致。导带（LUCO）主要来自 C 原子的 p 态，价带（HOCO）来自 O 原子的 p 态。关键字：分子结构，晶体结构，杨梅素，理论研究 Bull.Chem.Soc.2024, 38(5), 1469-1478. DOI: https://dx.doi.org/10.4314/bcse.v38i5.21
{"title":"Theoretical study on the molecular and crystal structures of myricetin","authors":"Hongchen Du, Rongkai Pan, Weiwei Huan, Jie Li, Lijuan Feng","doi":"10.4314/bcse.v38i5.21","DOIUrl":"https://doi.org/10.4314/bcse.v38i5.21","url":null,"abstract":"The molecular and crystal structures of myricetin have been studied using density functional theory. The geometry parameters are calculated based on the optimized molecular structure, and the thermodynamic properties “heat capacity, enthalpy and entropy” are performed using our self-programmed programme, the calculated results are consistent with literature reports. Crystal structures were predicted using the Dreiding force field and refined by DFT-GGA-RPBE method. The crystal form tends to crystalline in P-1 space group. The large calculated band gap (Eg) of the crystal proves it is stable, which is consistent with the conclusion from gas phase. The conduction band (LUCO) is mainly contributed from the p state of C atom and valence band (HOCO) from the p state of O atom. \u0000KEY WORDS: Molecular structure, Crystal structure, Myricetin, Theoretical study \u0000Bull. Chem. Soc. Ethiop. 2024, 38(5), 1469-1478. \u0000DOI: https://dx.doi.org/10.4314/bcse.v38i5.21","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2024-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141834453","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}
Beriwan M. H. Ameen, Hikmat A. Mohamad (Deceased), Subhi A. Al-Jibori
The synthesis and characterization of platinum(II) and palladium(II) mixed ligand complexes, [M(mtzS)2(dppm)] (M = Pt or Pd), have been described. These complexes were synthesized through a one-pot reaction involving K2MCl4, KmtzS (prepared from HmtzS and KOH), and dppm. The prepared complexes 1 and 2 have been characterized by using various analytical techniques including conductivity measurements, IR spectroscopy, UV-Vis spectroscopy, 31P and 1H NMR spectroscopy and 1 by X-ray crystallographic studies. The in vitro anti-cancer activity of complexes 1 and 2 against breast cancer cells (MCF7 cell line), was evaluated using the MTT assay showed a moderate activity with an IC50 value of 27.59 µg/ml for 1 and 28.82 µg/ml for 2. Additionally, the ligands and complexes underwent full geometry optimization using density functional theory (DFT). The calculated geometric and spectral data were found to be in good agreement with the experimental results. Theoretical calculations of molecular orbitals (HOMO-LUMO) and their energies suggested the occurrence of charge transfer within the complexes. KEY WORDS: Platinum(II), Palladium(II), Thiolate, Diphosphine, X-ray crystallography Bull. Chem. Soc. Ethiop. 2024, 38(5), 1261-1273. DOI: https://dx.doi.org/10.4314/bcse.v38i5.6
{"title":"Platinum(II) and palladium(II) thiolate complexes; synthesis, characterization, crystal structure, DFT, Hirshfeld surface analysis and anticancer studies","authors":"Beriwan M. H. Ameen, Hikmat A. Mohamad (Deceased), Subhi A. Al-Jibori","doi":"10.4314/bcse.v38i5.6","DOIUrl":"https://doi.org/10.4314/bcse.v38i5.6","url":null,"abstract":"The synthesis and characterization of platinum(II) and palladium(II) mixed ligand complexes, [M(mtzS)2(dppm)] (M = Pt or Pd), have been described. These complexes were synthesized through a one-pot reaction involving K2MCl4, KmtzS (prepared from HmtzS and KOH), and dppm. The prepared complexes 1 and 2 have been characterized by using various analytical techniques including conductivity measurements, IR spectroscopy, UV-Vis spectroscopy, 31P and 1H NMR spectroscopy and 1 by X-ray crystallographic studies. The in vitro anti-cancer activity of complexes 1 and 2 against breast cancer cells (MCF7 cell line), was evaluated using the MTT assay showed a moderate activity with an IC50 value of 27.59 µg/ml for 1 and 28.82 µg/ml for 2. Additionally, the ligands and complexes underwent full geometry optimization using density functional theory (DFT). The calculated geometric and spectral data were found to be in good agreement with the experimental results. Theoretical calculations of molecular orbitals (HOMO-LUMO) and their energies suggested the occurrence of charge transfer within the complexes. \u0000KEY WORDS: Platinum(II), Palladium(II), Thiolate, Diphosphine, X-ray crystallography \u0000Bull. Chem. Soc. Ethiop. 2024, 38(5), 1261-1273. \u0000DOI: https://dx.doi.org/10.4314/bcse.v38i5.6","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2024-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141834405","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}
Mashooq A. Bhat, Burak Tüzün, Ismail Koyuncu, Ebru Temiz, Parham Taslimi, Ahmed M. Naglah, Mohamed A. Al-Omar, H. Džudžević-Čančar
The enaminone derivatives of sulfonamides (1–11) were obtained in good yield and high purity. Choline esterase (ChE) inhibitory activities of the novel compounds against AChE and BChE were determined by Ellman’s method. Ki values of compounds for AChE and BChE enzymes were obtained in the ranges of 14.28˗160.17 µM, and 8.30˗324.27 µM, respectively. Compound, 9 presented good activity towards AChE and BChE with Ki values of 14.28 µM and 8.30 µM, respectively. Compounds 2 and 10 were found to be the most potent compounds showing cytotoxic effect (IC50 = 71.54 µg/mL and IC50 = 83.59 µg/mL), respectively, on lung cancer cell line (A549) and normal cells (Beas-2B) (IC50 = 164.62 µg/mL and IC50 = 155.64 µg/mL), respectively. The compounds have interacted with various proteins like AChE enzyme protein (PDB ID: 4M0E) and BChE enzyme protein (PDB ID: 5NN0). Finally, ADME/T analysis was performed to predict the movements of molecules in human metabolism. KEY WORDS: Sulfonamides, Enaminone, Enzyme inhibition, Molecular docking Bull. Chem. Soc. Ethiop. 2024, 38(5), 1351-1368. DOI: https://dx.doi.org/10.4314/bcse.v38i5.13
{"title":"Synthesis, molecular modelling and choline esterase enzyme inhibitory activity of novel enaminone derivatives of sulfonamides","authors":"Mashooq A. Bhat, Burak Tüzün, Ismail Koyuncu, Ebru Temiz, Parham Taslimi, Ahmed M. Naglah, Mohamed A. Al-Omar, H. Džudžević-Čančar","doi":"10.4314/bcse.v38i5.13","DOIUrl":"https://doi.org/10.4314/bcse.v38i5.13","url":null,"abstract":"The enaminone derivatives of sulfonamides (1–11) were obtained in good yield and high purity. Choline esterase (ChE) inhibitory activities of the novel compounds against AChE and BChE were determined by Ellman’s method. Ki values of compounds for AChE and BChE enzymes were obtained in the ranges of 14.28˗160.17 µM, and 8.30˗324.27 µM, respectively. Compound, 9 presented good activity towards AChE and BChE with Ki values of 14.28 µM and 8.30 µM, respectively. Compounds 2 and 10 were found to be the most potent compounds showing cytotoxic effect (IC50 = 71.54 µg/mL and IC50 = 83.59 µg/mL), respectively, on lung cancer cell line (A549) and normal cells (Beas-2B) (IC50 = 164.62 µg/mL and IC50 = 155.64 µg/mL), respectively. The compounds have interacted with various proteins like AChE enzyme protein (PDB ID: 4M0E) and BChE enzyme protein (PDB ID: 5NN0). Finally, ADME/T analysis was performed to predict the movements of molecules in human metabolism. \u0000KEY WORDS: Sulfonamides, Enaminone, Enzyme inhibition, Molecular docking \u0000Bull. Chem. Soc. Ethiop. 2024, 38(5), 1351-1368. \u0000DOI: https://dx.doi.org/10.4314/bcse.v38i5.13 ","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":null,"pages":null},"PeriodicalIF":1.3,"publicationDate":"2024-07-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141834581","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}
Pushpa Thirubuvanesvari-Duraivelu, Siti Salwa Abd Gani, Masriana Hassan, Mohd Izuan Effendi Halmi, Reem Fawaz Abutayeh, Mohammad A.A. Al-Najjar, Ala’ Abu-Odeh
In response with the demand in date industry finding on sustainable solution for date seeds management and its bioactive rich constituent, current study envisaged the optimum condition for the ultrasound extraction of Phoenix dactylifera L. Medjool date seeds and its antioxidative activity by employing a three-level three-factor Box–Behnken design via response surface methodology (RSM). Ethanol (EtOH) concentration (50-80%), time (30-90 min) and temperature (40-70 °C) were the independent variables investigated for ABTS•+ scavenging antioxidant activity and subjected to analysis of variance (ANOVA). The optimum conditions for maximum antioxidant activity (60.93% ± 0.021) were achieved at 80% EtOH, 44 min and at 57 °C, where the effect of EtOH concentration were notably significant. The observed agreement between the experimental (60.93% ± 0.021) and predicted (60.35%) values indicated the employed model suitability while substantiates the successful implementation of RSM for optimizing extraction parameters. The optimized extract characterized through UPLC-QTOF/MS and GC-MS/MS, detailed the presence of saccharides (isomaltose, mannotriose and stachyose) and volatile compounds, namely 5 saturated fatty acids that encompassed within the 8.42% (w/w) of total fat obtained. This verifies the ability of the solvent mixture extracting fatty acids and saccharides even under high EtOH concentration. KEY WORDS: Date seeds, Response surface methodology (RSM), Antioxidant, Saccharide, GC-MS/MS, UPLC-QTOF/MS Bull. Chem. Soc. Ethiop. 2024, 38(3), 547-562. DOI: https://dx.doi.org/10.4314/bcse.v38i3.1
{"title":"Ultrasonication and RSM-based optimization of antioxidant activity, saccharide composition and fatty acids from Phoenix dactylifera L. Medjool date seeds influenced by ethanol","authors":"Pushpa Thirubuvanesvari-Duraivelu, Siti Salwa Abd Gani, Masriana Hassan, Mohd Izuan Effendi Halmi, Reem Fawaz Abutayeh, Mohammad A.A. Al-Najjar, Ala’ Abu-Odeh","doi":"10.4314/bcse.v38i3.1","DOIUrl":"https://doi.org/10.4314/bcse.v38i3.1","url":null,"abstract":"In response with the demand in date industry finding on sustainable solution for date seeds management and its bioactive rich constituent, current study envisaged the optimum condition for the ultrasound extraction of Phoenix dactylifera L. Medjool date seeds and its antioxidative activity by employing a three-level three-factor Box–Behnken design via response surface methodology (RSM). Ethanol (EtOH) concentration (50-80%), time (30-90 min) and temperature (40-70 °C) were the independent variables investigated for ABTS•+ scavenging antioxidant activity and subjected to analysis of variance (ANOVA). The optimum conditions for maximum antioxidant activity (60.93% ± 0.021) were achieved at 80% EtOH, 44 min and at 57 °C, where the effect of EtOH concentration were notably significant. The observed agreement between the experimental (60.93% ± 0.021) and predicted (60.35%) values indicated the employed model suitability while substantiates the successful implementation of RSM for optimizing extraction parameters. The optimized extract characterized through UPLC-QTOF/MS and GC-MS/MS, detailed the presence of saccharides (isomaltose, mannotriose and stachyose) and volatile compounds, namely 5 saturated fatty acids that encompassed within the 8.42% (w/w) of total fat obtained. This verifies the ability of the solvent mixture extracting fatty acids and saccharides even under high EtOH concentration. \u0000KEY WORDS: Date seeds, Response surface methodology (RSM), Antioxidant, Saccharide, GC-MS/MS, UPLC-QTOF/MS \u0000Bull. Chem. Soc. Ethiop. 2024, 38(3), 547-562. \u0000DOI: https://dx.doi.org/10.4314/bcse.v38i3.1 ","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140248599","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}
This work aimed to evaluate the anticancer potential of the novel 5,6,7,8-tetrahydro-4H-chromenes against selected six cancer cell lines together with the prostate cancer cell line PC-3. A novel series of substituted 5,6,7,8-tetrahydro-4H-chromenes were synthesized through feasible synthetic strategy. The synthetic schemes involve firstly the multi-component reactions of dimedone with the aromatic aldehydes and ethyl acetoacetate to produce the 5,6,7,8-tetrahydro-4H-chromenes derivatives. On the other hand, carrying the same reactions using NH4OAc produced the hexahydroquinoline compounds. Anti-proliferative evaluations and inhibitions for all synthesized compounds toward selected cancer cell lines were carried out and the results revealed that many of them exhibited high inhibitions. Morphology of A549 cell line by the effect of compounds 14f and 16c was performed. KEY WORDS: Anti-proliferative activity, Chromene derivatives, Morphology, Multi-component reactions Bull. Chem. Soc. Ethiop. 2024, 38(3), 775-798. DOI: https://dx.doi.org/10.4314/bcse.v38i3.18
{"title":"New approaches for the synthesis of chromene and quinoline derivatives and their anti-proliferative, morphological studies","authors":"Rafat Milad Mohareb, Hanan Maged Labib","doi":"10.4314/bcse.v38i3.18","DOIUrl":"https://doi.org/10.4314/bcse.v38i3.18","url":null,"abstract":"This work aimed to evaluate the anticancer potential of the novel 5,6,7,8-tetrahydro-4H-chromenes against selected six cancer cell lines together with the prostate cancer cell line PC-3. A novel series of substituted 5,6,7,8-tetrahydro-4H-chromenes were synthesized through feasible synthetic strategy. The synthetic schemes involve firstly the multi-component reactions of dimedone with the aromatic aldehydes and ethyl acetoacetate to produce the 5,6,7,8-tetrahydro-4H-chromenes derivatives. On the other hand, carrying the same reactions using NH4OAc produced the hexahydroquinoline compounds. Anti-proliferative evaluations and inhibitions for all synthesized compounds toward selected cancer cell lines were carried out and the results revealed that many of them exhibited high inhibitions. Morphology of A549 cell line by the effect of compounds 14f and 16c was performed. \u0000KEY WORDS: Anti-proliferative activity, Chromene derivatives, Morphology, Multi-component reactions \u0000Bull. Chem. Soc. Ethiop. 2024, 38(3), 775-798. \u0000DOI: https://dx.doi.org/10.4314/bcse.v38i3.18 ","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140249379","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}
In this study a paper-based analytical device was developed using screen printing technique for the determination of particulate iron from welding fumes. The operational parameters such as volume and concentration of 1,10-phenanthroline, volume and concentration of hydroxylamine were optimized by the Box Behnken Design (BBD) using Minitab. Additionally, the µ-PAD's sample solution holding capacity and reaction time were also optimized. Under the optimized condition, particulate metal concentrations were colorimetrically quantified usinga handheld mobile phone and image processing software, ImageJ. Very good analytical performance such as good linearity of the calibration curve and better selectivity was observed by the developed method. The limit of detection for Fe3+ assay was 4.6 mg/L; which is adequate to determine the threshold concentration limit of particulate iron set by the regulatory bodies (6 mg/L). The µ-PAD revealed 95-99% recovery compared with the UV-Vis spectrophotometry (98-100%). Furthermore, welding fume samples were collected in Addis Ababa over five days, using mixed cellulose ester filters and the findings show a high concentration that exceeds the standard levels. Analyzing particulate iron with µ-PADs yielded results consistent with UV-Vis spectrophotometry, suggesting µ-PADs' potential application for occupational particulate iron exposure measurement, eliminating the need for expensive analytical devices. KEY WORDS: µ-PADs, Particulate iron, Response surface methodology, Wax screen-printing, Welding fume, Colorimetric detection Bull. Chem. Soc. Ethiop. 2024, 38(3), 563-576. DOI: https://dx.doi.org/10.4314/bcse.v38i3.2
{"title":"Wax screen-based fabrication of paper devices for the determination of iron in particulates of selected welding fumes in Addis Ababa, Ethiopia","authors":"Gizachew Wendimu, Ahmed Hussen, R. Mohan B.","doi":"10.4314/bcse.v38i3.2","DOIUrl":"https://doi.org/10.4314/bcse.v38i3.2","url":null,"abstract":"In this study a paper-based analytical device was developed using screen printing technique for the determination of particulate iron from welding fumes. The operational parameters such as volume and concentration of 1,10-phenanthroline, volume and concentration of hydroxylamine were optimized by the Box Behnken Design (BBD) using Minitab. Additionally, the µ-PAD's sample solution holding capacity and reaction time were also optimized. Under the optimized condition, particulate metal concentrations were colorimetrically quantified usinga handheld mobile phone and image processing software, ImageJ. Very good analytical performance such as good linearity of the calibration curve and better selectivity was observed by the developed method. The limit of detection for Fe3+ assay was 4.6 mg/L; which is adequate to determine the threshold concentration limit of particulate iron set by the regulatory bodies (6 mg/L). The µ-PAD revealed 95-99% recovery compared with the UV-Vis spectrophotometry (98-100%). Furthermore, welding fume samples were collected in Addis Ababa over five days, using mixed cellulose ester filters and the findings show a high concentration that exceeds the standard levels. Analyzing particulate iron with µ-PADs yielded results consistent with UV-Vis spectrophotometry, suggesting µ-PADs' potential application for occupational particulate iron exposure measurement, eliminating the need for expensive analytical devices. \u0000KEY WORDS: µ-PADs, Particulate iron, Response surface methodology, Wax screen-printing, Welding fume, Colorimetric detection \u0000Bull. Chem. Soc. Ethiop. 2024, 38(3), 563-576. \u0000DOI: https://dx.doi.org/10.4314/bcse.v38i3.2 \u0000 ","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140249698","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}
Faeza Alkorbi, Mahmoud A. Abdelaziz, Wafa Mazi, Noha Omer, Rasha Jame, Mohamed A. Gad, Omran A. Omran, Ali M. Ali
In the present work, novel series of Schiff base 2-7 were synthesized via treatment of p-tosyloxy benzaldehyde with some indole and quinoxaline derivatives in ethanol under reflux. All product structures were verified using elemental analysis and spectroscopic investigations, including 13C NMR, 1H NMR, and IR. Our research was conducted on the insecticidal activity, and biological effects of the recently synthesized Schiff bases on S. frugiperda. The results showed that compound 5 was the most active insecticide, nearly surpassing methomyl as a reference, with LC50 values of 46.35 mg/L for second-instar larvae and 97.37 mg/L for fourth-instar larvae. This research opened up new avenues for the search for a novel class of insecticide. KEY WORDS: Schiff bases, Spodoptera frugiperda, Insecticidal activity, Biological aspects, Toxicity Bull. Chem. Soc. Ethiop. 2024, 38(3), 765-774. DOI: https://dx.doi.org/10.4314/bcse.v38i3.17
{"title":"Design, synthesis of novel Schiff bases as potential insecticidal agents against Spodoptera frugiperda (Lepidoptera: Noctuidae)","authors":"Faeza Alkorbi, Mahmoud A. Abdelaziz, Wafa Mazi, Noha Omer, Rasha Jame, Mohamed A. Gad, Omran A. Omran, Ali M. Ali","doi":"10.4314/bcse.v38i3.17","DOIUrl":"https://doi.org/10.4314/bcse.v38i3.17","url":null,"abstract":"In the present work, novel series of Schiff base 2-7 were synthesized via treatment of p-tosyloxy benzaldehyde with some indole and quinoxaline derivatives in ethanol under reflux. All product structures were verified using elemental analysis and spectroscopic investigations, including 13C NMR, 1H NMR, and IR. Our research was conducted on the insecticidal activity, and biological effects of the recently synthesized Schiff bases on S. frugiperda. The results showed that compound 5 was the most active insecticide, nearly surpassing methomyl as a reference, with LC50 values of 46.35 mg/L for second-instar larvae and 97.37 mg/L for fourth-instar larvae. This research opened up new avenues for the search for a novel class of insecticide. \u0000KEY WORDS: Schiff bases, Spodoptera frugiperda, Insecticidal activity, Biological aspects, Toxicity \u0000Bull. Chem. Soc. Ethiop. 2024, 38(3), 765-774. \u0000DOI: https://dx.doi.org/10.4314/bcse.v38i3.17 ","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140248691","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}
The combination of flow injection technique and spectrophotometric detection can be employed for the rapid and low-cost methods for antibiotic assay. In this work, two flow injection analysis (FIA) systems, normal and reverse (nFIA and rFIA), combined with UV-Vis spectrophotometric technique were used for amoxicillin determination in its pure and pharmaceutical preparations. A colorimetric coupling reaction between amoxicillin and diazotized p-toluidine produced a bright yellow azo dye and quantified at a maximum wavelength of 426 nm. For nFIA and rFIA procedures, the amoxicillin calibration graphs had an RSD of less than 2% and were linear in the ranges of 5-200 and 1-140 µg/mL, respectively. The limits of detection and quantification were 1.41 and 4.71 µg/mL of amoxicillin for nFIA and 0.39 and 1.31 µg/mL for rFIA, respectively. The physical and chemical factors that could influence color sensitivity were investigated. Various commercial formulations containing different amounts of amoxicillin were successfully tested using the developed approaches, which demonstrated to be easy, rapid, reproducible, and interference-free. KEY WORDS: Amoxicillin, Normal FIA, Reverse FIA, p-Toluidine, Diazotization reaction Bull. Chem. Soc. Ethiop. 2024, 38(3), 577-590. DOI: https://dx.doi.org/10.4314/bcse.v38i3.3
{"title":"Spectrophotometric determination of amoxicillin in pharmaceutical formulations using normal and reverse flow injection analysis systems: A comparison study","authors":"Tabarak Mohammed, H. Hadi","doi":"10.4314/bcse.v38i3.3","DOIUrl":"https://doi.org/10.4314/bcse.v38i3.3","url":null,"abstract":"The combination of flow injection technique and spectrophotometric detection can be employed for the rapid and low-cost methods for antibiotic assay. In this work, two flow injection analysis (FIA) systems, normal and reverse (nFIA and rFIA), combined with UV-Vis spectrophotometric technique were used for amoxicillin determination in its pure and pharmaceutical preparations. A colorimetric coupling reaction between amoxicillin and diazotized p-toluidine produced a bright yellow azo dye and quantified at a maximum wavelength of 426 nm. For nFIA and rFIA procedures, the amoxicillin calibration graphs had an RSD of less than 2% and were linear in the ranges of 5-200 and 1-140 µg/mL, respectively. The limits of detection and quantification were 1.41 and 4.71 µg/mL of amoxicillin for nFIA and 0.39 and 1.31 µg/mL for rFIA, respectively. The physical and chemical factors that could influence color sensitivity were investigated. Various commercial formulations containing different amounts of amoxicillin were successfully tested using the developed approaches, which demonstrated to be easy, rapid, reproducible, and interference-free. \u0000KEY WORDS: Amoxicillin, Normal FIA, Reverse FIA, p-Toluidine, Diazotization reaction \u0000Bull. Chem. Soc. Ethiop. 2024, 38(3), 577-590. \u0000DOI: https://dx.doi.org/10.4314/bcse.v38i3.3 ","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140248840","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}
The synthesis, physicochemical characterizations, and biological investigations on the chelation of the antibiotic medication enoxacin (EXN) with certain vital metal ions, such as platinum(IV), ruthenium(III), and iridium(III) are discussed in this study. These compounds structures were interpreted based on elemental analysis and spectral measurements (FTIR, 1H-NMR, UV-Vis electronic, and XRD). The findings show that there is same coordination pathway for the chelation behavior of enoxacin complexes: a monodentate manner. The Pt(IV), Ru(III), and Ir(III) complexes are coordinated through the N atom of the piperazine ring, which is an unusual mode of coordination for this class of compounds. The dissolved complexes in DMSO were found to have non-electrolyte nature based on their molar conductance measurements. The formula for these complexes is [Pt(EXN)3(H2O)2Cl] (1), [Ru(EXN)3(H2O)3] (2), and [Ir(EXN)3(H2O)3] (3). Using scanning electron microscope (SEM) analysis and X-ray powder diffraction (XRD), the nano-scale range of the Pt(IV), Ru(III), and Ir(III) complexes has been determined. Results of in vitro cytotoxicity were examined using MCF-7 cells (human breast cancer cell line) and HepG-2 cells (human hepatocellular carcinoma) that had been grown. The cytotoxic activity of the metal complexes demonstrated a cytotoxic effect against the growth of human breast and liver cancer cell lines. KEY WORDS: Enoxacin, Platinum(IV), Complexity, Spectral analyses, Biological assessments Bull. Chem. Soc. Ethiop. 2024, 38(3), 685-699. DOI: https://dx.doi.org/10.4314/bcse.v38i3.11
{"title":"Enoxacin fluoroquinolone antibacterial agent complexes with Pt(IV), Ru(III) and Ir(III) ions: Synthesis, spectroscopic, physicochemical characterizations and biological studies","authors":"Abeer A. El-Habeeb, M. S. Refat","doi":"10.4314/bcse.v38i3.11","DOIUrl":"https://doi.org/10.4314/bcse.v38i3.11","url":null,"abstract":"The synthesis, physicochemical characterizations, and biological investigations on the chelation of the antibiotic medication enoxacin (EXN) with certain vital metal ions, such as platinum(IV), ruthenium(III), and iridium(III) are discussed in this study. These compounds structures were interpreted based on elemental analysis and spectral measurements (FTIR, 1H-NMR, UV-Vis electronic, and XRD). The findings show that there is same coordination pathway for the chelation behavior of enoxacin complexes: a monodentate manner. The Pt(IV), Ru(III), and Ir(III) complexes are coordinated through the N atom of the piperazine ring, which is an unusual mode of coordination for this class of compounds. The dissolved complexes in DMSO were found to have non-electrolyte nature based on their molar conductance measurements. The formula for these complexes is [Pt(EXN)3(H2O)2Cl] (1), [Ru(EXN)3(H2O)3] (2), and [Ir(EXN)3(H2O)3] (3). Using scanning electron microscope (SEM) analysis and X-ray powder diffraction (XRD), the nano-scale range of the Pt(IV), Ru(III), and Ir(III) complexes has been determined. Results of in vitro cytotoxicity were examined using MCF-7 cells (human breast cancer cell line) and HepG-2 cells (human hepatocellular carcinoma) that had been grown. The cytotoxic activity of the metal complexes demonstrated a cytotoxic effect against the growth of human breast and liver cancer cell lines. \u0000KEY WORDS: Enoxacin, Platinum(IV), Complexity, Spectral analyses, Biological assessments \u0000Bull. Chem. Soc. Ethiop. 2024, 38(3), 685-699. \u0000DOI: https://dx.doi.org/10.4314/bcse.v38i3.11 ","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140249795","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}
The solubility of two natural phenolic compounds (vanillic acid (VA) and vanillin (V)) in four individual solvents (ethanol, butan-2-ol, ethylene glycol, and ethyl acetate) was measured using the gravimetric method from 283.15 to 323.15 K at atmospheric pressure. The optimization of the complexes between VA–solvents and V–solvents using the B3LYP theoretic technique and the 6-31+G (d, p) basis set indicated that the absolute value of interaction energy was higher, suggesting that the interaction between solute and the solvent was stronger. In addition, two excellent activity coefficient models (NRTL and Wilson) were used to correlate and evaluate the equilibrium solubility results. The highest relative average deviation and root-mean-square deviation values for VA are 4.36% and 3.09 × 10-3, respectively, and 3.35% and 5.52 × 10-3 for V. Furthermore, the excess enthalpy of the solution was determined on the basis of thermodynamic relations and the Wilson model. The findings indicate that the dissolution process was endothermic. KEY WORDS: Solid-liquid equilibrium, Vanillin, Vanillic acid, NRTL and Wilson models, Thermodynamic parameters Bull. Chem. Soc. Ethiop. 2024, 38(3), 799-810. DOI: https://dx.doi.org/10.4314/bcse.v38i3.19
{"title":"Thermodynamic modeling of the solid-liquid equilibrium of two phenolic compounds in several solvents at temperatures ranging from 283.15 K to 323.15 K","authors":"A. Noubigh","doi":"10.4314/bcse.v38i3.19","DOIUrl":"https://doi.org/10.4314/bcse.v38i3.19","url":null,"abstract":"The solubility of two natural phenolic compounds (vanillic acid (VA) and vanillin (V)) in four individual solvents (ethanol, butan-2-ol, ethylene glycol, and ethyl acetate) was measured using the gravimetric method from 283.15 to 323.15 K at atmospheric pressure. The optimization of the complexes between VA–solvents and V–solvents using the B3LYP theoretic technique and the 6-31+G (d, p) basis set indicated that the absolute value of interaction energy was higher, suggesting that the interaction between solute and the solvent was stronger. In addition, two excellent activity coefficient models (NRTL and Wilson) were used to correlate and evaluate the equilibrium solubility results. The highest relative average deviation and root-mean-square deviation values for VA are 4.36% and 3.09 × 10-3, respectively, and 3.35% and 5.52 × 10-3 for V. Furthermore, the excess enthalpy of the solution was determined on the basis of thermodynamic relations and the Wilson model. The findings indicate that the dissolution process was endothermic. \u0000KEY WORDS: Solid-liquid equilibrium, Vanillin, Vanillic acid, NRTL and Wilson models, Thermodynamic parameters \u0000Bull. Chem. Soc. Ethiop. 2024, 38(3), 799-810. \u0000DOI: https://dx.doi.org/10.4314/bcse.v38i3.19 \u0000 ","PeriodicalId":9501,"journal":{"name":"Bulletin of the Chemical Society of Ethiopia","volume":null,"pages":null},"PeriodicalIF":1.2,"publicationDate":"2024-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140250538","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}
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