Chemical Data Collections最新文献_第8页

PVC-DOS membrane immobilized with 2-amino-4-(3-chloro-phenylazo) pyridine-3-ol for environmentally friendly detection of Cd(II) ions 2-氨基-4-(3-氯苯基偶氮)吡啶-3-醇固定化PVC-DOS膜用于环境检测Cd(II)离子

IF 2.218

Chemical Data Collections Pub Date : 2023-11-07 DOI: 10.1016/j.cdc.2023.101098

Reem F. Alshehri , Alaa S. Amin , Mai Aish

{"title":"PVC-DOS membrane immobilized with 2-amino-4-(3-chloro-phenylazo) pyridine-3-ol for environmentally friendly detection of Cd(II) ions","authors":"Reem F. Alshehri , Alaa S. Amin , Mai Aish","doi":"10.1016/j.cdc.2023.101098","DOIUrl":"10.1016/j.cdc.2023.101098","url":null,"abstract":"<div>The present study demonstrates the green selective microdetermination of Cd2+employing a newly established polymer inclusion membrane (PIM) in an environmental process. The PIM is made up of 40 % di(2-ethylhexyl) phosphoric acid (D2EHPA), 9 % dioctyl sebacate (DOS), and 50 % polyvinyl chloride (PVC). 2-Amino-4-(3-chlorophenylazo) pyridine-3-ol (ACPAP) is the colorimetric reagent utilized to determine Cd2+ concentration. Cd2+ is elicited into the PIM in this system as the cadmium-D2EHPA complex, which then reacts with ACPAP. ACPAP yields a violet Cd2+−ACPAP complex. The λmax for the PIM based optode was 657 nm. The variables pH, quantity of reagent, quantity of additive, and duration of response, which substantially influence the response of the proposed optode, were optimized using design of experiment (DOE) statistical method. At ideal conditions, the optode membrane's reproducibility, high stability, and relatively extended lifetime indicate its potential for accurate and precise monitoring of Cd2+ ion concentration. Under ideal conditions, the optode has a detection limit of 1.60 ng mL−1 and a measurement (quantification) limit of 5.0 ng mL−1. The PIM-ACPAP system was utilized effectively to detect Cd2+ ions in environmental real samples.</div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"48 ","pages":"Article 101098"},"PeriodicalIF":2.218,"publicationDate":"2023-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135514665","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

Phytochemical evaluation, antioxidant, and antibacterial activity of extracts of Ammi visnaga Lam 紫花莲提取物的植物化学评价及抗氧化和抗菌活性

IF 2.218

Chemical Data Collections Pub Date : 2023-11-05 DOI: 10.1016/j.cdc.2023.101096

Fouzia Mgamat , Mohamed Benaddou , Sara Haida , Asmaa Oubihi , Hamid El Ibaoui , Rachid Zouhair , Abderahim Kribii , Rachida El Ayadi , Driss Hmouni

{"title":"Phytochemical evaluation, antioxidant, and antibacterial activity of extracts of Ammi visnaga Lam","authors":"Fouzia Mgamat , Mohamed Benaddou , Sara Haida , Asmaa Oubihi , Hamid El Ibaoui , Rachid Zouhair , Abderahim Kribii , Rachida El Ayadi , Driss Hmouni","doi":"10.1016/j.cdc.2023.101096","DOIUrl":"https://doi.org/10.1016/j.cdc.2023.101096","url":null,"abstract":"<div>This study aimed to identify chemical components and evaluate the antioxidant and antibacterial activities of ethanolic and dichloromethane extracts of Ammi visnaga (L.). Both extracts contained flavonoids, coumarins, and glycosides, with the ethanolic extract also exhibiting tannins and reducing sugars. Qualitative HPLC/UV-ESI-MS analysis revealed abundant polyphenols, particularly flavonoids and furanochromones, such as rhamnazin, kaempferol, rhamnetin, khellin, visnagin, khellinin, and khellol. Antimicrobial activity against Gram-positive and Gram-negative bacteria was assessed, with Klebsiella pneumoniae showing sensitivity to the ethanol extract, resulting in a 9 mm inhibition zone. The dichloromethane extract exhibited a 9 mm inhibition zone against Acinetobacter baumannii, with a minimum inhibitory concentration (MIC) of 10 µL/mL for both extracts and all susceptible strains. Antioxidant activity, measured by radical DPPH∙ radical reduction test revealed significant reducing power in the ethanolic extract, with an IC50 = 1.383 ± 0.069 mg/mL, compared to IC50 = 0.095 ± 0.009 mg/mL for ascorbic acid, used as reference.</div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"48 ","pages":"Article 101096"},"PeriodicalIF":2.218,"publicationDate":"2023-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"92281723","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

Comments regarding “volumetric and spectroscopic properties of binary liquid mixtures of 1,2-ethylenediamine with 1,4-butanediol at varying temperature” 关于 "1,2-乙二胺与 1,4-丁二醇二元液体混合物在不同温度下的体积和光谱特性 "的评论

IF 2.218

Chemical Data Collections Pub Date : 2023-10-29 DOI: 10.1016/j.cdc.2023.101095

Saikiran Motati, William E. Acree

引用次数: 0

Synthesis of (Z)-N,3-dicyclohexyl-6-substituted-4-(trichloromethyl)-3,4-dihydro-2H-1,3,5-oxadiazin-2-imines via [4 + 2] hetero Diels-Alder reaction: Their spectral characteristics and molecular structure [4 + 2]杂Diels-Alder反应合成(Z)- n,3-二环己基-6-取代-4-(三氯甲基)-3,4-二氢- 2h -1,3,5-恶二嗪-2-亚胺的光谱特征和分子结构

IF 2.218

Chemical Data Collections Pub Date : 2023-10-16 DOI: 10.1016/j.cdc.2023.101093

Pavlo V. Zadorozhnii, Ihor O. Pokotylo, Vadym V. Kiselev, Aleksandr V. Kharchenko

引用次数: 0

Computational investigation of structural-biological inhibitory activity for Au(III) porphyrin complexes against MCF-7 human breast cancer Au(III)卟啉复合物对MCF-7人乳腺癌的结构-生物抑制活性的计算研究

IF 2.218

Chemical Data Collections Pub Date : 2023-10-16 DOI: 10.1016/j.cdc.2023.101094

Marwa Alaqarbeh , Larbi El Mchichi , Amr S. Abouzied , Si Mohamed Bouzzine , Bader Huwaimel , Mohammed Bouachrine

引用次数: 0

Synthesis and biological evaluation of tetrazole fused imidazopyridine derivatives as anticancer agents 四唑融合咪唑吡啶衍生物抗癌剂的合成及生物学评价

IF 2.218

Chemical Data Collections Pub Date : 2023-10-03 DOI: 10.1016/j.cdc.2023.101092

Narendhar Reddy Vanam, Jaya Shree Anireddy

引用次数: 0

Molecular association studies through physicochemical properties and application of Prigogine-Flory-Patterson theory to binary liquid mixtures of furfuryl alcohol with acetophenone, cyclopentanone and cyclohexanone 呋喃醇与苯乙酮、环戊酮和环己酮二元液体混合物的理化性质及其应用

IF 2.218

Chemical Data Collections Pub Date : 2023-10-02 DOI: 10.1016/j.cdc.2023.101091

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

{"title":"Molecular association studies through physicochemical properties and application of Prigogine-Flory-Patterson theory to binary liquid mixtures of furfuryl alcohol with acetophenone, cyclopentanone and cyclohexanone","authors":"K.A. Sasikala , K. Rayapa Reddy , M. Silpa , P.V.S. Sairam , G. Srinivasa Rao","doi":"10.1016/j.cdc.2023.101091","DOIUrl":"https://doi.org/10.1016/j.cdc.2023.101091","url":null,"abstract":"<div>Speed of ultrasound (U), density (ρ) of pure and binary mixtures of furfuryl alcohol with three ketones, viz., acetophenone, cyclopentanone and cyclohexanone have been measured at temperatures 303.15 K - 318.15 K (∆T = 5 K), at atmospheric pressure. Excess/deviation parameters namely, excess intermolecular free length (<math><msubsup><mi>L</mi><mrow><mi>f</mi></mrow><mi>E</mi></msubsup></math>), excess volume per mole (<math><msubsup><mi>V</mi><mrow><mi>m</mi></mrow><mi>E</mi></msubsup></math>) and deviation in isentropic compressibility (∆κs) have been determined from the experimental data. Redlich-Kister polynomial equation has been considered for the fitting parameters of excess functions and the standard deviation is estimated. The results of excess properties are supported by partial volume per mole studies. To endorse the thermodynamic results, Prigogine–Flory–Patterson theory has been applied for excess molar volumes.</div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"48 ","pages":"Article 101091"},"PeriodicalIF":2.218,"publicationDate":"2023-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"92235442","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

Computational study of 2-aryl quinoxaline derivatives as α-amylase inhibitors 2-芳基喹喔啉衍生物作为α-淀粉酶抑制剂的计算研究

IF 2.218

Chemical Data Collections Pub Date : 2023-10-01 DOI: 10.1016/j.cdc.2023.101079

Lhoucine Naanaai , Abdellah El Aissouq , Hicham Zaitan , Mohammed Bouachrine , Fouad Khalil

引用次数: 0

Synthesis, in vitro α-glucosidase, α-amylase inhibitory potentials and molecular docking study of benzimidazole bearing sulfonamide analogues 含苯并咪唑类磺胺类似物的合成、α-葡萄糖苷酶、α-淀粉酶体外抑制电位及分子对接研究

IF 2.218

Chemical Data Collections Pub Date : 2023-10-01 DOI: 10.1016/j.cdc.2023.101070

Hayat Ullah , Tayyaba Batool , Ayesha Nawaz , Fazal Rahim , Fahad Khan , Amjad Hussain

{"title":"Synthesis, in vitro α-glucosidase, α-amylase inhibitory potentials and molecular docking study of benzimidazole bearing sulfonamide analogues","authors":"Hayat Ullah , Tayyaba Batool , Ayesha Nawaz , Fazal Rahim , Fahad Khan , Amjad Hussain","doi":"10.1016/j.cdc.2023.101070","DOIUrl":"10.1016/j.cdc.2023.101070","url":null,"abstract":"<div>We synthesized fourteen benzimidazole-containing sulfonamide analogs (1–14), characterized them using methods including NMR and HR-EIMS. The synthesized analogs were then tested against the enzymes α-glucosidase and α-amylase showing IC50 values ranging from 9.20 ± 0.10 to 38.30 ± 0.40 μM (for α-glucosidase) and 5.20 ± 0.30 to 18.20 ± 0.30 μM (for α-amylase), all analogues show good inhibitory capability when compared to the reference medication acarbose (IC50 = 38.45 ± 0.80 & 11.12 ± 0.15 μM, respectively). The strongest inhibitor among the series for α-amylase analogues was 3 (IC50 = 5.20±0.30 μM), whereas the strongest inhibitor in the series for α-glucosidase was analog 6 (IC50 = 9.20 0.10 μM). All other analogs showed excellent potency against the α-glucosidase enzyme while in case of α-amylase analogs showed excellent to moderate potency. The structure-activity relationship was established for determining the increase/decrease in potency due to quantity, type, position, and electron-donating/withdrawing effects of the substituent/s on the phenyl ring. To demonstrate the binding interaction of the most potent analogues with the enzyme's active sites, a molecular docking research was performed.</div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"47 ","pages":"Article 101070"},"PeriodicalIF":2.218,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43979029","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: 2

Synthesis, crystal structure and Hirshfeld surface analysis of ethyl 4-hydroxy-2-(4-hydroxyphenyl)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate 4-羟基-2-(4-羟基苯基)-1-甲基-5-氧-2,5-二氢- 1h -吡咯-3-羧酸乙酯的合成、晶体结构和Hirshfeld表面分析

IF 2.218

Chemical Data Collections Pub Date : 2023-10-01 DOI: 10.1016/j.cdc.2023.101064

Fatin Nur Ain Abdul Rashid , Siti Syaida Sirat , Husna Izzati Muhammad Nor Azharan , Muhamad Zulfaqar Bacho , Alexandra M.Z. Slawin , Mohd Fazli Mohammat , Mohd Fadhlizil Fasihi Mohd Aluwi , Nor Saliyana Jumali , Mohd Abdul Fatah Abdul Manan

{"title":"Synthesis, crystal structure and Hirshfeld surface analysis of ethyl 4-hydroxy-2-(4-hydroxyphenyl)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate","authors":"Fatin Nur Ain Abdul Rashid , Siti Syaida Sirat , Husna Izzati Muhammad Nor Azharan , Muhamad Zulfaqar Bacho , Alexandra M.Z. Slawin , Mohd Fazli Mohammat , Mohd Fadhlizil Fasihi Mohd Aluwi , Nor Saliyana Jumali , Mohd Abdul Fatah Abdul Manan","doi":"10.1016/j.cdc.2023.101064","DOIUrl":"10.1016/j.cdc.2023.101064","url":null,"abstract":"<div>Ethyl 4‑hydroxy-2-(4-hydroxyphenyl)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxylate, C14H15NO5 (1) was synthesized via multicomponent reaction (MCR) of sodium diethyl oxalacetate, methylamine, and 4-hydroxybenzaldehyde. The structure of 1 was elucidated by using FT-IR, NMR and GCMS. These results were further confirmed by means of single crystal X-ray crystallography. The results showed that 1 was crystallized in orthorhombic space group Pca21 where a = 17.102(4), b = 9.923(2), c = 16.037(4), Å. The quantification of intermolecular interactions in the crystal structure was obtained by Hirshfeld surface analysis and showed that the H···H contacts were the most dominant interactions.</div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"47 ","pages":"Article 101064"},"PeriodicalIF":2.218,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2405830023000757/pdfft?md5=e0d571e1daa4088184c3887cee2923dd&pid=1-s2.0-S2405830023000757-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44536238","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