Bulletin of the Chemical Society of Ethiopia最新文献_第3页

Theoretical study on the molecular and crystal structures of myricetin 关于杨梅素分子结构和晶体结构的理论研究

IF 1.3 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-07-12 DOI: 10.4314/bcse.v38i5.21

Hongchen Du, Rongkai Pan, Weiwei Huan, Jie Li, Lijuan Feng

引用次数: 0

Platinum(II) and palladium(II) thiolate complexes; synthesis, characterization, crystal structure, DFT, Hirshfeld surface analysis and anticancer studies 铂（II）和钯（II）硫酸盐配合物；合成、表征、晶体结构、DFT、Hirshfeld 表面分析和抗癌研究

IF 1.3 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-07-12 DOI: 10.4314/bcse.v38i5.6

Beriwan M. H. Ameen, Hikmat A. Mohamad (Deceased), Subhi A. Al-Jibori

{"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}

引用次数: 0

Synthesis, molecular modelling and choline esterase enzyme inhibitory activity of novel enaminone derivatives of sulfonamides 新型磺酰胺烯酮衍生物的合成、分子建模和胆碱酯酶抑制活性

IF 1.3 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-07-12 DOI: 10.4314/bcse.v38i5.13

Mashooq A. Bhat, Burak Tüzün, Ismail Koyuncu, Ebru Temiz, Parham Taslimi, Ahmed M. Naglah, Mohamed A. Al-Omar, H. Džudžević-Čančar

{"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}

引用次数: 0

Ultrasonication and RSM-based optimization of antioxidant activity, saccharide composition and fatty acids from Phoenix dactylifera L. Medjool date seeds influenced by ethanol 基于超声波和 RSM 法优化受乙醇影响的 Phoenix dactylifera L. Medjool date 种子中的抗氧化活性、糖组成和脂肪酸

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-03-12 DOI: 10.4314/bcse.v38i3.1

Pushpa Thirubuvanesvari-Duraivelu, Siti Salwa Abd Gani, Masriana Hassan, Mohd Izuan Effendi Halmi, Reem Fawaz Abutayeh, Mohammad A.A. Al-Najjar, Ala’ Abu-Odeh

{"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}

引用次数: 0

New approaches for the synthesis of chromene and quinoline derivatives and their anti-proliferative, morphological studies 合成铬烯和喹啉衍生物的新方法及其抗增殖和形态学研究

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-03-12 DOI: 10.4314/bcse.v38i3.18

Rafat Milad Mohareb, Hanan Maged Labib

{"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}

引用次数: 0

Wax screen-based fabrication of paper devices for the determination of iron in particulates of selected welding fumes in Addis Ababa, Ethiopia 在埃塞俄比亚亚的斯亚贝巴用蜡筛制造纸质装置，用于测定特定焊接烟尘微粒中的铁含量

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-03-12 DOI: 10.4314/bcse.v38i3.2

Gizachew Wendimu, Ahmed Hussen, R. Mohan B.

{"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}

引用次数: 0

Design, synthesis of novel Schiff bases as potential insecticidal agents against Spodoptera frugiperda (Lepidoptera: Noctuidae) 设计和合成新型席夫碱，作为潜在的杀虫药剂防治鞘翅目蛙蛾 (鳞翅目：夜蛾科)

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-03-12 DOI: 10.4314/bcse.v38i3.17

Faeza Alkorbi, Mahmoud A. Abdelaziz, Wafa Mazi, Noha Omer, Rasha Jame, Mohamed A. Gad, Omran A. Omran, Ali M. Ali

{"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}

引用次数: 0

Spectrophotometric determination of amoxicillin in pharmaceutical formulations using normal and reverse flow injection analysis systems: A comparison study 使用正向和反向流动注射分析系统分光光度法测定药物制剂中的阿莫西林：对比研究

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-03-12 DOI: 10.4314/bcse.v38i3.3

Tabarak Mohammed, H. Hadi

{"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}

引用次数: 0

Enoxacin fluoroquinolone antibacterial agent complexes with Pt(IV), Ru(III) and Ir(III) ions: Synthesis, spectroscopic, physicochemical characterizations and biological studies 依诺沙星氟喹诺酮类抗菌剂与 Pt(IV)、Ru(III) 和 Ir(III) 离子的配合物：合成、光谱、理化特性和生物学研究

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-03-12 DOI: 10.4314/bcse.v38i3.11

Abeer A. El-Habeeb, M. S. Refat

{"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}

引用次数: 0

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 在 283.15 K 至 323.15 K 温度范围内对两种酚类化合物在几种溶剂中的固液平衡进行热力学建模

IF 1.2 4区化学

Bulletin of the Chemical Society of Ethiopia Pub Date : 2024-03-12 DOI: 10.4314/bcse.v38i3.19

A. Noubigh

{"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}

引用次数: 1