Chemical Data Collections最新文献_第6页

Seasonal variation in essential oil composition of Artemisia herba-alba and their effects on antioxidant, antibacterial, and antifungal activities 艾蒿精油成分的季节性变化及其对抗氧化、抗菌和抗真菌活性的影响

IF 2.218

Chemical Data Collections Pub Date : 2024-01-09 DOI: 10.1016/j.cdc.2024.101118

Hayat Elwardani , Asmaa Oubihi , Sara Haida , Rabab Ez-Zriouli , Karima El Kabous , Mohammed Ouhssine

{"title":"Seasonal variation in essential oil composition of Artemisia herba-alba and their effects on antioxidant, antibacterial, and antifungal activities","authors":"Hayat Elwardani , Asmaa Oubihi , Sara Haida , Rabab Ez-Zriouli , Karima El Kabous , Mohammed Ouhssine","doi":"10.1016/j.cdc.2024.101118","DOIUrl":"10.1016/j.cdc.2024.101118","url":null,"abstract":"<div>This study aimed to compare the essential oil yield and chemical composition of Artemisia herba-alba in the Anti-Atlas region, considering different harvest dates. The antibacterial and antifungal properties were also evaluated. Essential oils yields were 1.87 %, 1.85 %, and 2.35 % for the April, June and October harvests, respectively. Chromatographic analysis identified 21 compounds, with camphor, 1,8-cineole, and camphene as the main constituents. Artemisia herba-alba essential oils exhibited significant antibacterial and antifungal activities. The October-harvested oil showed notable antibacterial effects against Staphylococcus epidermidis (20 mm), while the June-collected essential oil demonstrated strong activity with a 20.66 mm inhibition zone against Acinobacter baumannii. Furthermore, the June-collected oil displayed significant antifungal activity with a 70.58 % inhibition index against Fusarium culmorum. Despite varying reducing powers with IC50 values, the antioxidant activity of the essential oils was relatively weaker compared to l-ascorbic acid, possibly due to the prevalence of non-phenolic compounds.</div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"50 ","pages":"Article 101118"},"PeriodicalIF":2.218,"publicationDate":"2024-01-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139415267","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Studies on molecular interactions through thermophysical properties and FTIR analysis of binary systems of a green solvent furfuryl alcohol with 2-alkoxyethanols 通过对绿色溶剂糠醇与 2-烷氧基乙醇二元体系的热物理性质和傅立叶变换红外光谱分析研究分子相互作用

IF 2.218

Chemical Data Collections Pub Date : 2024-01-07 DOI: 10.1016/j.cdc.2024.101115

K.A. Sasikala , G.Srinivasa Rao , P.V.S. Sairam , M. Silpa , K.Rayapa Reddy

{"title":"Studies on molecular interactions through thermophysical properties and FTIR analysis of binary systems of a green solvent furfuryl alcohol with 2-alkoxyethanols","authors":"K.A. Sasikala , G.Srinivasa Rao , P.V.S. Sairam , M. Silpa , K.Rayapa Reddy","doi":"10.1016/j.cdc.2024.101115","DOIUrl":"10.1016/j.cdc.2024.101115","url":null,"abstract":"<div>The present paper provides the physiochemical properties of binary systems of a bio-derived, eco-sustainable solvent furfuryl alcohol with 2-alkoxyethanols. Speed of ultrasound (U), density (ρ) of pure liquids and binaries of furfuryl alcohol with 2-methoxyethanol, 2-ethoxyethanol and 2-butoxyethanol have been measured at four temperatures from 303.15 K to 318.15 K (with interval as 5 K). From the measured experimental data, excess free length (<math><msubsup><mi>L</mi><mi>f</mi><mi>E</mi></msubsup></math>), excess volume per mole (<math><msubsup><mi>V</mi><mi>m</mi><mi>E</mi></msubsup></math>) and isentropic compressibility deviation (∆κs) have been calculated. For fitting the data of excess parameters, Redlich-Kister polynomial equation has been used and the corresponding standard deviation is computed. The variations in the parameters under investigation indicated molecular associations among the components of the mixture. Partial molar studies have approved these results. Further, FTIR spectral analysis has been undertaken to confirm the interactions of furfuryl alcohol and 2-alkoxyethanols. The FTIR analysis is well agreed with the thermodynamic findings.</div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"50 ","pages":"Article 101115"},"PeriodicalIF":2.218,"publicationDate":"2024-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139396779","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Exploring citrus waste's potential as an antioxidant, antibacterial, and anti-corrosion agent 探索柑橘废料作为抗氧化剂、抗菌剂和防腐剂的潜力

IF 2.218

Chemical Data Collections Pub Date : 2024-01-07 DOI: 10.1016/j.cdc.2024.101114

A. Najem , M. Boudalia , M. Sabiha , A. Laqhaili , A. Chibani , N. Chahboun , A. Bellaouchou , A. Zarrouk

{"title":"Exploring citrus waste's potential as an antioxidant, antibacterial, and anti-corrosion agent","authors":"A. Najem , M. Boudalia , M. Sabiha , A. Laqhaili , A. Chibani , N. Chahboun , A. Bellaouchou , A. Zarrouk","doi":"10.1016/j.cdc.2024.101114","DOIUrl":"10.1016/j.cdc.2024.101114","url":null,"abstract":"<div>Citrus reticulata Blanco essential oil was extracted using hydrodistillation, and its chemical profile was analyzed via GC/MS to give limonene as the major component (81.90 %). C. reticulata demonstrated remarkable antioxidant potential in DPPH (1,1-diphenyl-2-picrylhydrazyl) with in IC50 (2.01 ± 0.01 mg/mL), ABTS (bleaching assay) (3.47 ± 0.02 mg/mL), and FRAP (iron reduction) (4.71 ± 0.43 mg/mL) assays, surpassing pure limonene. A synergistic effect was a key feature. In antibacterial tests, C. reticulata exhibited significant activity with a minimum inhibitory concentration (MIC) ranging from 12.5 to 25 µL/mL against four various bacteria (Staphylococcus aureus, Bacillus subtilis, Proteus mirabilis and Escherichia coli). Moreover, C. reticulata displayed impressive anti-corrosion capabilities, achieving up to 92.5 % protection at 1000 ppm using PDP, and 93.1 % using EIS and 90.1 % using WL. Langmuir adsorption isotherm analysis supported inhibitor adsorption, and potentiodynamic polarization curves confirmed its mixed-type action. These findings highlight C. reticulata's promise as a natural antioxidant, antimicrobial, and anti-corrosion agent.</div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"50 ","pages":"Article 101114"},"PeriodicalIF":2.218,"publicationDate":"2024-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139396569","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","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 molecular docking study of thiophene-bearing thiourea derivatives as potential acetylcholinesterase, and butyrylcholinesterase inhibitors 作为潜在乙酰胆碱酯酶和丁酰胆碱酯酶抑制剂的噻吩硫脲衍生物的合成与分子对接研究

IF 2.218

Chemical Data Collections Pub Date : 2024-01-06 DOI: 10.1016/j.cdc.2024.101113

Hayat Ullah , Maria Bashir , Fahad Khan , Iram Iqbal , Aroosa Iqbal , Fazal Rahim

{"title":"Synthesis and molecular docking study of thiophene-bearing thiourea derivatives as potential acetylcholinesterase, and butyrylcholinesterase inhibitors","authors":"Hayat Ullah , Maria Bashir , Fahad Khan , Iram Iqbal , Aroosa Iqbal , Fazal Rahim","doi":"10.1016/j.cdc.2024.101113","DOIUrl":"10.1016/j.cdc.2024.101113","url":null,"abstract":"<div>A new series of thiophene-bearing thiourea derivatives (1–11) were synthesized and characterized through 13C NMR, 1H NMR and HR-EIMS. The synthesized derivatives were screened against acetylcholinesterase, and butyrylcholinesterase inhibitory potentials. All derivatives display a variable degree of inhibitory potential ranging from 0.40 ± 0.05 to 26.40 ± 0.40 µM (against AChE) and 1.80 ± 0.10 to 36.80 ± 0.90 µM (against BuChE) as compared to standard drug donepezil (IC50 = 2.16 ± 0.12 µM and 4.5 ± 0.11 µM, respectively). In both cases, among the series analogues 3, 5, 7, 9, and 10 showed many folds better activity than standard drug donepezil. Structure-activity relationship has been also established for all newly synthesized compounds, mainly based on substitution patterns on the phenyl ring. The binding interaction of the most active derivatives with the active site of enzymes was confirmed through a molecular docking study. To evaluate the stability of the protein-ligand complexes 10 ns MD simulation was carried out. The most potent compound such as compound 3 revealed great stability during the 10 ns simulation.</div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"50 ","pages":"Article 101113"},"PeriodicalIF":2.218,"publicationDate":"2024-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139375037","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Volumetric properties of binary mixtures of (ethylene glycol or glycerol + benzene or cyclohexane or hexane) at varying temperatures 乙二醇或甘油 + 苯或环己烷或正己烷）二元混合物在不同温度下的体积特性

IF 2.218

Chemical Data Collections Pub Date : 2023-12-29 DOI: 10.1016/j.cdc.2023.101109

M. Ramadevi, S. Kavitha, E.Jagadeesh Kumar, J.Kumara Swamy, B. Satheesh

{"title":"Volumetric properties of binary mixtures of (ethylene glycol or glycerol + benzene or cyclohexane or hexane) at varying temperatures","authors":"M. Ramadevi, S. Kavitha, E.Jagadeesh Kumar, J.Kumara Swamy, B. Satheesh","doi":"10.1016/j.cdc.2023.101109","DOIUrl":"10.1016/j.cdc.2023.101109","url":null,"abstract":"<div>The density values were measured as a function of mole fraction [(ethylene glycol or glycerol] for binary liquid systems such as [ethylene glycol or glycerol + (hexane or cyclohexane or benzene] at a temperature between 283.15 K and 328.15 K and atmospheric pressure. Using density data, the values of molar volumes, excess molar volume, and apparent molar volumes were calculated. Further, excess molar volume was correlated with the Redlich–Kister model. It is observed that in all systems, density data was decreased with an increase in the temperature and also increased with the concentration of ethylene glycol and glycerol. Excess molar volume for all the binary systems were positive deviations over the entire composition range. Each system exhibited more positive at a higher temperature. The obtained results are discussed in terms of packing efficiency, <math><mrow><mi>π</mi><mo>−</mo><mtext>OH</mtext></mrow></math> bonding, and dispersion forces.</div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"49 ","pages":"Article 101109"},"PeriodicalIF":2.218,"publicationDate":"2023-12-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2405830023001209/pdfft?md5=81634d6e178d4900890ada7538c1b3df&pid=1-s2.0-S2405830023001209-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139064263","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Preparation and Rheological Characterization of Water-Soluble Boger Fluids 水溶性博格流体的制备和流变特性分析

IF 2.218

Chemical Data Collections Pub Date : 2023-12-28 DOI: 10.1016/j.cdc.2023.101112

Amanjot Kaur, Amit Sobti, Ravinder Kumar Wanchoo

{"title":"Preparation and Rheological Characterization of Water-Soluble Boger Fluids","authors":"Amanjot Kaur, Amit Sobti, Ravinder Kumar Wanchoo","doi":"10.1016/j.cdc.2023.101112","DOIUrl":"10.1016/j.cdc.2023.101112","url":null,"abstract":"<div>The primary focus of the study is to prepare and characterize water-soluble Boger fluids as they offer improved handling characteristics. The fluids have been prepared in the concentration range of 0.02–0.05 % (wt/vol.) Polyacrylamide (PAA) in a mixture of 80 % glycerol and 20 % distilled water by volume. Dynamic and steady shear data are represented in the temperature range of 15–35 °C. The shear mode data were fitted to power law model to calculate the flow consistency index (K) and flow behavior index (n). With increase in PAA concentration, the fluid character shifts from Boger to shear thinning viscoelastic fluid. Fluid relaxation time (λ) was calculated by fitting the oscillatory data to four mode Maxwell model. Empirical equations for the prediction of K, n, and λ are proposed by incorporating simultaneous effect of polymer concentration and temperature. Presented data could be of great use in unit operations such as fixed and fluidized beds dealing with Boger fluids.</div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"49 ","pages":"Article 101112"},"PeriodicalIF":2.218,"publicationDate":"2023-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2405830023001234/pdfft?md5=33989d9275f60610613ef9fc93730665&pid=1-s2.0-S2405830023001234-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139052924","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Understanding the thermomechanical behavior of geopolymer foams: Influence of rate and type of foaming agent and stabilizer 了解土工聚合物泡沫的热力学行为：发泡剂和稳定剂的速度和类型的影响

IF 2.218

Chemical Data Collections Pub Date : 2023-12-25 DOI: 10.1016/j.cdc.2023.101111

Ghizlane Moutaoukil , Isabel Sobrados , Saliha Alehyen , M'hamed Taibi

{"title":"Understanding the thermomechanical behavior of geopolymer foams: Influence of rate and type of foaming agent and stabilizer","authors":"Ghizlane Moutaoukil , Isabel Sobrados , Saliha Alehyen , M'hamed Taibi","doi":"10.1016/j.cdc.2023.101111","DOIUrl":"10.1016/j.cdc.2023.101111","url":null,"abstract":"<div>This study assesses the impact of foaming agent type/content (hydrogen peroxide and Zn powder) and stabilizer content on the mechanical, thermal and microstructural of the elaborated geopolymer foams. Eighteen geopolymer foams were synthesized and their microstructure, density, porosity and compressive strength were analyzed before and after exposure to high temperatures (300 and 600 °C). To characterize the raw materials and the samples, several techniques were used, including X-ray fluorescence, X-ray diffraction, Magic-Angle Spinning Nuclear Magnetic Resonance Spectroscopy (29Si and 27Al MAS NMR), scanning electron microscopy (SEM), and porosity measurements. Thermogravimetric analysis was also performed to assess the thermal stability of the geopolymer foams with different foaming agent content and type. According to the results, the geopolymer foam with Zn powder as a foaming agent was more stable after exposure to the high temperature. The porosity increased after exposure to 300 °C, meanwhile decreasing after annealing at 600 °C.</div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"50 ","pages":"Article 101111"},"PeriodicalIF":2.218,"publicationDate":"2023-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139053193","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Unveiling the degradation and stability of the insulating properties of Epoxy/CaCO3 derived from snail shell bio-composite 揭示蜗牛壳生物复合材料环氧树脂/CaCO3 绝缘特性的降解和稳定性

IF 2.218

Chemical Data Collections Pub Date : 2023-12-21 DOI: 10.1016/j.cdc.2023.101110

Egoigwe Vincent Sochima , Victor Sunday Aigbodion , Patrick Udeme-Obong Akpan

引用次数: 0

Unveiling the Degradation and Stability of the insulating properties of Epoxy/CaCO3 derived from snail shell bio-composite 揭示蜗牛壳生物复合材料环氧树脂/CaCO3 绝缘特性的降解和稳定性

IF 2.218

Chemical Data Collections Pub Date : 2023-12-21 DOI: 10.1016/j.cdc.2023.101110

Egoigwe Vincent Sochima, Victor Sunday Aigbodion, Patrick Udeme-Obong Akpan

引用次数: 0

Synthesis and biological evaluation of amide derivatives of 1,2,4-thiadiazole-thiazole-pyridine as anticancer agents 作为抗癌剂的 1,2,4-噻二唑-噻唑-吡啶酰胺衍生物的合成与生物学评价

IF 2.218

Chemical Data Collections Pub Date : 2023-12-15 DOI: 10.1016/j.cdc.2023.101108

Somaiah Nalla , Y. Pavani , Ravi kumar Gollapudi , Sumalatha Poodari , Subbarao Mannam

{"title":"Synthesis and biological evaluation of amide derivatives of 1,2,4-thiadiazole-thiazole-pyridine as anticancer agents","authors":"Somaiah Nalla , Y. Pavani , Ravi kumar Gollapudi , Sumalatha Poodari , Subbarao Mannam","doi":"10.1016/j.cdc.2023.101108","DOIUrl":"10.1016/j.cdc.2023.101108","url":null,"abstract":"<div>A new series of amide derivatives (10a–j) were designed and synthesized and their structures were confirmed by analytical data. Further, all these derivatives (10a–j) were examined for in vitro antitumor activity against four human cancer cell lines like MCF-7 (breast), A549 (lung), Col-205 (colon) and A2780 (ovarian) by using of the MTT assay. All the derivatives (10a–j) were exhibited remarkable anticancer effects on four cell lines as compared with etoposide used as a positive control. The IC50 values range of tested compounds from 0.11 ± 0.051 µM to 7.42 ± 5.89 µM; whereas, positive control showed IC50 values ranges from 0.17 ± 0.034 µM to 3.34 ± 0.152 µM, respectively. Among these derivatives, four compounds 10a, 10b, 10c & 10d demonstrated more potent activities than the positive control.</div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"49 ","pages":"Article 101108"},"PeriodicalIF":2.218,"publicationDate":"2023-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2405830023001192/pdfft?md5=54995a8ec02965d22e92794c51f9f41a&pid=1-s2.0-S2405830023001192-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138688373","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0