Chemical Data Collections最新文献_第10页

Synthesis, spectral characteristics and molecular structure of N-(2,2,2-trichloro-1-(hydrazinecarbothioamido)ethyl)carboxamides N-(2,2,2-三氯-1-(肼基硫代氨基)乙基)羧酰胺的合成、光谱特征和分子结构。

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Chemical Data Collections Pub Date : 2024-06-01 Epub Date: 2024-04-25 DOI: 10.1016/j.cdc.2024.101137

Valeriia V. Pavlova, Pavlo V. Zadorozhnii, Vadym V. Kiselev, Aleksandr V. Kharchenko

引用次数: 0

Comments on “volumetric properties of binary mixtures of (ethylene glycol or glycerol + benzene or cyclohexane or hexane) at varying temperatures” 关于 "不同温度下（乙二醇或甘油 + 苯或环己烷或正己烷）二元混合物的体积特性 "的评论

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Chemical Data Collections Pub Date : 2024-06-01 Epub Date: 2024-03-15 DOI: 10.1016/j.cdc.2024.101130

William E. Acree

引用次数: 0

Hexavalent chromium removal by electrocoagulation using iron scrap electrodes: Optimization and kinetic modeling 使用铁屑电极电凝去除六价铬：优化和动力学建模

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Chemical Data Collections Pub Date : 2024-06-01 Epub Date: 2024-04-26 DOI: 10.1016/j.cdc.2024.101138

Gabriel André Tochetto , Vilson Conrado da Luz , Adriana Dervanoski , Gean Delise Leal Pasquali

引用次数: 0

Investigating lipophilicity of boron dipyrromethenes using experimental and computational approaches 利用实验和计算方法研究二吡咯烷硼的亲油性

IF 2.218

Chemical Data Collections Pub Date : 2024-06-01 Epub Date: 2024-03-11 DOI: 10.1016/j.cdc.2024.101129

Matvey S. Horetski , Yuliya A. Chylik , Vladimir M. Shkumatov

引用次数: 0

Measurement & correlation of isobaric vapor-liquid equilibrium (VLE) data of methyl tert‑butyl ether (MTBE) + acetic acid (AA) system 甲基叔丁基醚（MTBE）+乙酸（AA）体系等压气液平衡（VLE）数据的测量与相关性分析

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Chemical Data Collections Pub Date : 2024-06-01 Epub Date: 2024-03-24 DOI: 10.1016/j.cdc.2024.101134

Priyank Khirsariya , Vyomesh M. Parsana , Kedar Joshi

引用次数: 0

Corrosion mitigation of (E)-N-benzylidene-4-nitrobenzenamine on mild steel in acidic medium: Experimental and Theoretical Analysis 酸性介质中(E)-N-亚苄基-4-硝基苯胺对低碳钢的腐蚀缓解作用：实验和理论分析

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Chemical Data Collections Pub Date : 2024-06-01 Epub Date: 2024-05-14 DOI: 10.1016/j.cdc.2024.101143

Ragini L. Minagalavar , S.K. Rajappa , Manohar R. Rathod , Ashok M. Sajjan

{"title":"Corrosion mitigation of (E)-N-benzylidene-4-nitrobenzenamine on mild steel in acidic medium: Experimental and Theoretical Analysis","authors":"Ragini L. Minagalavar , S.K. Rajappa , Manohar R. Rathod , Ashok M. Sajjan","doi":"10.1016/j.cdc.2024.101143","DOIUrl":"10.1016/j.cdc.2024.101143","url":null,"abstract":"<div><p>The current study focuses on investigating the corrosion-inhibitory characteristics of the Schiff base (E)-N-benzylidene-4-nitrobenzenamine. The efficacy of the compound in preventing mild steel (MS) corrosion in a 1 M HCl solution was assessed using mass loss, potentiodynamic polarization, and electrochemical impedance spectroscopy techniques (EIS). In addition, measurements of polarization resistance suggested that the substance functions as a mixed-type inhibitor, primarily functioning as a cathodic inhibitor. EIS revealed that the compound impedes corrosion by increasing the charge transfer resistance at the interfaces between the metal and solution. The (E)-N-benzylidene-4-nitrobenzenamine compound conformed to the Langmuir adsorption isotherm. Additional confirmation of the development of a protective layer on MS surfaces was established through examinations using SEM (Scanning Electron Microscopy), and AFM (Atomic Force Microscopy). DFT (Density Functional Theory) studies and MD simulations were utilized to augment comprehension of corrosion inhibition mechanisms and adsorption characteristics.</p></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"51 ","pages":"Article 101143"},"PeriodicalIF":2.218,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141050512","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

Cholinesterase inhibitors for the treatment of Alzheimer's disease: Synthesis, biological analysis and molecular docking study of sulphur containing heterocyclic analogues 治疗阿尔茨海默病的胆碱酯酶抑制剂：含硫杂环类似物的合成、生物学分析和分子对接研究

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Chemical Data Collections Pub Date : 2024-06-01 Epub Date: 2024-03-18 DOI: 10.1016/j.cdc.2024.101132

Hayat Ullah , Fazal Rahim , Imad Uddin , Muhammad Taha , Misbah Ullah Khan , Fahad Khan , Shoaib Khan , Rafaqat Hussain , Amjad Hussain , Naveed Iqbal , Farzana Gul

{"title":"Cholinesterase inhibitors for the treatment of Alzheimer's disease: Synthesis, biological analysis and molecular docking study of sulphur containing heterocyclic analogues","authors":"Hayat Ullah , Fazal Rahim , Imad Uddin , Muhammad Taha , Misbah Ullah Khan , Fahad Khan , Shoaib Khan , Rafaqat Hussain , Amjad Hussain , Naveed Iqbal , Farzana Gul","doi":"10.1016/j.cdc.2024.101132","DOIUrl":"10.1016/j.cdc.2024.101132","url":null,"abstract":"<div><p>In synthetic medicinal chemistry thiophene and their analogues play a vital role due to the wide range of pharmacological properties. In current studies, we have synthesized a new class of thiophene-bearing sulfonamide analogues (<strong>1–11</strong>) as cholinesterase inhibitors. These newly synthesized upon esterification, hydrazide formation and finally through sulfonamide mode of synthesis and were characterized through <sup>1</sup>H, <sup>13</sup>C NMR and HREI-MS spectroscopic techniques. Synthesized analogues showed an excellent to moderate cholinesterase inhibitory potential. Analogues <strong>10, 7, 9</strong> and <strong>11</strong> showed an excellent potency against cholinesterase inhibition as compared to standard Donepezil. The binding interactions of the most potent analogues were confirmed through molecular docking studies. All Compounds were verified for cytotoxicity against 3T3 mouse fibroblast cell line and detected non-toxic.</p></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"51 ","pages":"Article 101132"},"PeriodicalIF":2.218,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140151706","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

Use of Erythrina Variegata Linn as green corrosion inhibitor for steel in 0.5 M Sulphuric acid 将 Erythrina Variegata Linn 用作钢在 0.5 M 硫酸中的绿色缓蚀剂

IF 2.218

Chemical Data Collections Pub Date : 2024-06-01 Epub Date: 2024-05-09 DOI: 10.1016/j.cdc.2024.101142

Swagata Kalita, Jasdeep Kaur, Akhil Saxena

{"title":"Use of Erythrina Variegata Linn as green corrosion inhibitor for steel in 0.5 M Sulphuric acid","authors":"Swagata Kalita, Jasdeep Kaur, Akhil Saxena","doi":"10.1016/j.cdc.2024.101142","DOIUrl":"https://doi.org/10.1016/j.cdc.2024.101142","url":null,"abstract":"<div><p>The potential anti-corrosion effect of <em>Erythrina Variegata Linn</em> leaf extract on steel in 0.5 M H<sub>2</sub>SO<sub>4</sub> solution is investigated in this work. On the steel surface, the extract created a layer of protection, which showed maximal efficiency in resisting the corrosion at 88.88%, this was particularly evident at a 1000 mg/L concentration. To verify its potential to inhibit corrosion, a range of analytical methods were used, such as UV, SEM, phytochemical screening, electrochemical measurements, and quantum chemical investigations. The presence of double bonds and heteroatoms in the chemical constituent is responsible for inhibiting corrosion. Instrumentation such as UV analysis provides detailed insights into molecular interactions, aiding in the understanding of inhibitive mechanisms. The corrosion inhibition capacity rises up on increasing <em>Erythrina Variegata Linn</em> till 1000 ppm. Based upon quantum chemical calculations, 6‑hydroxy genistein has more adsorption capacity than Alpinum Isoflavone. This investigation determined the potential utility of <em>Erythrina Variegata Linn</em> leaf extract as a sustainable, environmentally benign inhibitor of steel corrosion in harsh environments like 0.5 M H<sub>2</sub>SO<sub>4.</sub></p></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"51 ","pages":"Article 101142"},"PeriodicalIF":2.218,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140947156","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

Study of the inhibition of carbon steel corrosion by two pyridazin derivatives in 1 M HCl: Experimental study and theoretical approach✰ 两种哒嗪衍生物在 1 M HCl 中抑制碳钢腐蚀的研究：实验研究与理论方法✰

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Chemical Data Collections Pub Date : 2024-06-01 Epub Date: 2024-04-30 DOI: 10.1016/j.cdc.2024.101140

H. Zarrok , S. Daoui , N. Benzbiria , A. Barrahi , F. Benhiba , M. Galai , M. Ebn Touhami , I. Warad , K. Karrouchi , N. Benchat , A. Zarrouk

{"title":"Study of the inhibition of carbon steel corrosion by two pyridazin derivatives in 1 M HCl: Experimental study and theoretical approach✰","authors":"H. Zarrok , S. Daoui , N. Benzbiria , A. Barrahi , F. Benhiba , M. Galai , M. Ebn Touhami , I. Warad , K. Karrouchi , N. Benchat , A. Zarrouk","doi":"10.1016/j.cdc.2024.101140","DOIUrl":"https://doi.org/10.1016/j.cdc.2024.101140","url":null,"abstract":"<div><p>The assessment of the corrosion inhibitory efficacy of two novel pyridine derivatives, specifically (E)-2-(5-(2-chlorobenzyl)-6-oxo-3-styrylpyridazin-1(6H)-yl)acetic acid (CO4) and (E)-6-(4-hydroxystyryl)pyridazin-3(2H)-one (CO38), was conducted through Numerous methods, such as Potentiodynamic polarization (PDP), electrochemical impedance spectroscopy (EIS), scanning electron microscopy (SEM) and Energy Dispersive X-ray (EDX) analysis, UV–visible spectroscopy, and theoretical calculations, were used to evaluate the effectiveness in preventing corrosion for carbon steel (C.S). In response to the increasing demand for environmentally friendly and biodegradable products, CO38 and CO4 inhibitors were used. Tests revealed that CO38 and CO4 inhibitory efficacy increased with concentration, reaching 96.2 % and 93.7 %, respectively. In a 1 M HCl solution, PDP investigations demonstrated that these inhibitors act as mixed-type inhibitors. Scanning electron microscopy (SEM) revealed the creation of protective layers that prevent C.S dissolution in the acid solution. These findings were supported by theoretical investigations that employed density functional theory (DFT) and molecular dynamics (MD) simulations.</p></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"51 ","pages":"Article 101140"},"PeriodicalIF":2.218,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141090810","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

Design, synthesis and anticancer evaluation of substituted aryl-1,3-oxazole incorporated pyrazole-thiazole derivatives 作为抗癌剂的取代芳基-1,3-恶唑并入吡唑-噻唑衍生物的设计、合成和抗癌评估

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Chemical Data Collections Pub Date : 2024-06-01 Epub Date: 2024-03-01 DOI: 10.1016/j.cdc.2024.101127

P. Venkata Ramana Reddy , E. Shivakumar , Dittakavi Ramachandran

{"title":"Design, synthesis and anticancer evaluation of substituted aryl-1,3-oxazole incorporated pyrazole-thiazole derivatives","authors":"P. Venkata Ramana Reddy , E. Shivakumar , Dittakavi Ramachandran","doi":"10.1016/j.cdc.2024.101127","DOIUrl":"10.1016/j.cdc.2024.101127","url":null,"abstract":"<div><p>A new library of different types of aryl ring attached pyrazole-thiazole-oxazoles (<strong>11a-j</strong>) was prepared and their structures were characterized by <sup>1</sup>HNMR, <sup>13</sup>CNMR and mass spectral data. Further, these compounds were evaluated for anticancer effects towards a panel of four human cancer cell lines including SiHa (cervix cancer), A549 (lung cancer), MCF-7 (breast cancer) and Colo-205 (colon cancer) by the MTT method, with etoposide used as a reference drug. Most of the tested compounds exhibited good anticancer activity with IC<sub>50</sub> values ranging from 0.13±0.046 µM to 18.6 ± 6.34 µM and the reference drug showed values ranging from 0.14 ± 0.017 µM to 3.11±0.11 µM, respectively. Among these compounds <strong>11e, 11f, 11 g</strong> and <strong>11 h</strong> displayed more potent anticancer activity as etoposide. All compounds showed selective cytotoxicity against cancer cells but not against normal Vero cells (IC<sub>50</sub> = >24 µM), justifying the designing approach to develop a selective anticancer agent.</p></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"51 ","pages":"Article 101127"},"PeriodicalIF":2.218,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140087414","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