Chemical Data Collections最新文献

One-pot synthesis of multifunctional magnetic activated carbon from fallen saman leaves to activate persulfate for acid red 18 degradation 利用落叶合成多功能磁性活性炭，以活化过硫酸盐降解酸性红 18

IF 2.218

Chemical Data Collections Pub Date : 2024-10-29 DOI: 10.1016/j.cdc.2024.101170

Hung Minh Nguyen , Huy Quoc Do , Hau Bui Doan Tran , Huy Hoang Ngoc Nguyen , Thy Tan Tam Nguyen , Tuyet Thi Pham , Tuyet-Mai Tran-Thuy , Long Quang Nguyen , Dung Van Nguyen

{"title":"One-pot synthesis of multifunctional magnetic activated carbon from fallen saman leaves to activate persulfate for acid red 18 degradation","authors":"Hung Minh Nguyen , Huy Quoc Do , Hau Bui Doan Tran , Huy Hoang Ngoc Nguyen , Thy Tan Tam Nguyen , Tuyet Thi Pham , Tuyet-Mai Tran-Thuy , Long Quang Nguyen , Dung Van Nguyen","doi":"10.1016/j.cdc.2024.101170","DOIUrl":"10.1016/j.cdc.2024.101170","url":null,"abstract":"<div><div>Herein, magnetic activated carbon (MAC) was prepared via one-pot pyrolysis of FeCl<sub>3</sub>- and ZnCl<sub>2</sub>-loaded fallen saman leaves (FSLs). As a result, different metal-based nanoparticles (Fe(0), FeO, Fe<sub>3</sub>O<sub>4</sub>, and ZnO) were identified and evenly distributed within the activated carbon (AC) framework. MAC had a high S<sub>BET</sub> of 479 m<sup>2</sup>/g, a large V<sub>total</sub> of 0.30 cm<sup>3</sup>/g, and a M<sub>S</sub> of 3.71 emu/g for magnetic separation. For application, 0.100 g/L MAC activated 2.00 mM persulfate (PS) at initial pH 3.0 to rapidly eliminate 96.5 ± 0.4 % of 50 ppm acid red 18 (AR18) within 60 min. Furthermore, quenching experiments indicated that the MAC+PS system might produce both reactive sulfate (SO<sub>4</sub><sup>•−</sup>) and hydroxyl (•OH) radicals during AR18 treatment. Summarily, the findings highlighted the potential of multifunctional FSL-derived MAC due to its magnetic separability and effective PS activation ability towards AR18 degradation.</div></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"54 ","pages":"Article 101170"},"PeriodicalIF":2.218,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142578547","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

Interfacial properties, and micellization of surface-active ionic liquid in presence of polymeric solutions 表面活性离子液体在聚合物溶液存在下的界面特性和胶束化

IF 2.218

Chemical Data Collections Pub Date : 2024-10-26 DOI: 10.1016/j.cdc.2024.101168

Rajat Sinhmar, Vickramjeet Singh

{"title":"Interfacial properties, and micellization of surface-active ionic liquid in presence of polymeric solutions","authors":"Rajat Sinhmar, Vickramjeet Singh","doi":"10.1016/j.cdc.2024.101168","DOIUrl":"10.1016/j.cdc.2024.101168","url":null,"abstract":"<div><div>Interfacial properties of newly synthesized surface-active ionic liquid 1-tetradecyl-3-methylimidazolium bromide [C<sub>14</sub>mim]Br were studied in aqueous solutions of non-ionic polymeric co-solute polyvinylpyrrolidone (PVP) and polyethylene glycol (PEG-200). The interfacial and micellization properties of [C<sub>14</sub>mim]Br were determined considering various concentrations of PVP and PEG. The critical micelle concentration (CMC) was evaluated using conductivity, contact angle, and surface tension measurements. Thermodynamic properties such as standard enthalpy of micellization, ΔH°<sub>m,</sub> standard Gibb's free energy of micellization, ΔG°<sub>m</sub>, and standard entropy of micellization ΔS°<sub>m</sub>, calculated from micellization and degree of counterion binding (α) values. As the concentration of PEG-200 polymer increased from 1 wt% to 2 wt%, the CMC of SAIL decreased, but CMC increased with temperatures. However, in the case of PVP polymer, the CMC values increased with PVP concentration and temperature. This observation illustrates how the electrostatic and hydrophobic interactions of SAIL with polymers (PEG-200 and PVP) influence SAIL micellization. From the surface tension measurements, CMC, surface tension at CMC (γ<sub>cmc</sub>), surface excess concentration (Г<sub>max</sub>), surface pressure (π<sub>cmc</sub>), and minimum surface area per molecule (A<sub>min</sub>) have also been evaluated in water and the presence of polymers (PEG-200 and PVP).</div></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"54 ","pages":"Article 101168"},"PeriodicalIF":2.218,"publicationDate":"2024-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142560612","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, characterization, invitro anticancer evaluation, computational studies, and in silico ADME assessment of New N-(5-o-tolyl-1,3,4-oxadiazol-2-yl) alkanamides 新型 N-(5-邻甲苯基-1,3,4-恶二唑-2-基)烷酰胺的设计、合成、表征、体外抗癌评价、计算研究和硅学 ADME 评估

IF 2.218

Chemical Data Collections Pub Date : 2024-10-22 DOI: 10.1016/j.cdc.2024.101167

Kadeer Md , Ravi Kumar Parangi , Ramesh Domala

{"title":"Design, synthesis, characterization, invitro anticancer evaluation, computational studies, and in silico ADME assessment of New N-(5-o-tolyl-1,3,4-oxadiazol-2-yl) alkanamides","authors":"Kadeer Md , Ravi Kumar Parangi , Ramesh Domala","doi":"10.1016/j.cdc.2024.101167","DOIUrl":"10.1016/j.cdc.2024.101167","url":null,"abstract":"<div><div>The present article focuses on the synthesis, docking, and anticancer efficacy of a new class of N-(5-o-tolyl-1,3,4-oxadiazol-2-yl) alkanamides (<strong>3a–j).</strong> <sup>1</sup>HNMR, <sup>13</sup>CNMR, Mass and Infrared spectral data established structures of all the analogues. We employed the MTT assay to estimate the potential anticancer efficacy of all the prepared analogues on MCF-7 cell lines. Among the derivatives tested, N-(5-o-tolyl-1,3,4-oxadiazol-2-yl)octanamide (<strong>3g</strong>) and N-(5-o-tolyl-1,3,4-oxadiazol-2-yl)dodecanamide (<strong>3j</strong>) exhibited remarkable anticancer activity; cisplatin is used as a standard reference. The active position of the EGFR protein complex with erlotinib (PDB ID: 1M17) was utilized for molecular docking analysis of the titled analogues. Among all the synthesized compounds <strong>3j</strong> (-7.89 kcal/mol), <strong>3g (</strong>-7.72 kcal/mol) and <strong>3h (</strong>-7.34 kcal/mol) showed good binding affinity. An insilico ADME evaluation was conducted to estimate the drug likeness of synthesized compounds.</div></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"54 ","pages":"Article 101167"},"PeriodicalIF":2.218,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142554576","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

Chemical characterization, antioxidant activity and toxicity of sugars present in Annona cornifolia (Annonaceae) seeds 玉米葵（Annona cornifolia）种子中糖的化学特性、抗氧化活性和毒性

IF 2.218

Chemical Data Collections Pub Date : 2024-10-18 DOI: 10.1016/j.cdc.2024.101166

Luciana Alves Rodrigues dos Santos Lima , Lucas Santos Azevedo , Maria Amélia Diamantino Boaventura , Lúcia Pinheiro Santos Pimenta

{"title":"Chemical characterization, antioxidant activity and toxicity of sugars present in Annona cornifolia (Annonaceae) seeds","authors":"Luciana Alves Rodrigues dos Santos Lima , Lucas Santos Azevedo , Maria Amélia Diamantino Boaventura , Lúcia Pinheiro Santos Pimenta","doi":"10.1016/j.cdc.2024.101166","DOIUrl":"10.1016/j.cdc.2024.101166","url":null,"abstract":"<div><div><em>Annona cornifolia</em>, popularly known as “araticum das caatingas” and “araticum mirim,” is native to the Brazilian <em>Cerrado</em> and used to treat chronic ulcers. Seeds of this species were investigated by our group, yielding annonaceous acetogenins that displayed several biological activities, such as larvicidal, cytotoxic, and antioxidant properties. This work aimed to characterize two mixtures of sugars obtained from seeds using <sup>1</sup>H and <sup>13</sup>C NMR and evaluate their antioxidant and <em>Artemia salina</em> larvicidal activities. The hydromethanolic fraction from the ethanolic extract after solvent partition was fractionated on a silica gel preparative plate and on a Sephadex LH-20 column, yielding a brown solid. Another part of this fraction was acetylated with pyridine and acetic anhydride, and the resultant material was fractionated on a silica gel column, yielding other solids. Two solids were characterized as mixtures of sugars, identified as <em>β</em>-d-fructopyranose, <em>β</em>-d-fructofuranose, 1,2,3,4,6-<em>O</em>-acetyl-<em>α</em>-d-glucopyranose, 1,2,3,4,6-<em>O</em>-acetyl-<em>β</em>-d-glucopyranose, 1,2,3,4,6-<em>O</em>-acetyl-<em>α</em>-d-fructofuranose, and 1,2,3,4,6-<em>O</em>-acetyl-<em>β</em>-d-fructofuranose. The samples showed antioxidant potential in DPPH and FRAP assays. The mixture of acetylated sugars exhibited high toxicity on <em>A. salina</em> at all concentrations tested, with an LC<sub>50</sub> value of 0.311 µg/mL. This is the first report of the characterization of these sugars with these biological activities for this species.</div></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"54 ","pages":"Article 101166"},"PeriodicalIF":2.218,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142531095","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

A rapid, efficient microwave-assisted synthesis of novel bis-pyrazole analogues using non-toxic and cost-effective catalyst under green solvent medium 在绿色溶剂介质下使用无毒、经济高效的催化剂快速、高效地微波辅助合成新型双吡唑类似物

IF 2.218

Chemical Data Collections Pub Date : 2024-09-23 DOI: 10.1016/j.cdc.2024.101165

Komati Satish Kumar , Alice Rinky Robert , Adapaka Venkateswara Rao , Santosh Kumar Thainana , Singamsetty Harikrishna , Suresh Maddila

引用次数: 0

Effect of substituents in governing the homolytic gas-phase P–H bond dissociation enthalpies of phosphine-type oxides (R1R2P(=O)H) 取代基在调节膦类氧化物 (R1R2P(=O)H) 的均相气相 P-H 键解离焓方面的影响

IF 2.218

Chemical Data Collections Pub Date : 2024-09-23 DOI: 10.1016/j.cdc.2024.101164

Robert J. O'Reilly , Mannix P. Balanay

引用次数: 0

Methanolic extract of artemisia as a green corrosion inhibitor for copper in 0.5 M nitric acid 青蒿甲醇提取物作为铜在 0.5 M 硝酸中的绿色缓蚀剂

IF 2.218

Chemical Data Collections Pub Date : 2024-09-18 DOI: 10.1016/j.cdc.2024.101163

S. Echihi , N. Benzbiria , A. Thoume , M. Boudalia , A. Bellaouchou , M. Zertoubi , I. Warad , M. Tabyaoui , A. Zarrouk

{"title":"Methanolic extract of artemisia as a green corrosion inhibitor for copper in 0.5 M nitric acid","authors":"S. Echihi , N. Benzbiria , A. Thoume , M. Boudalia , A. Bellaouchou , M. Zertoubi , I. Warad , M. Tabyaoui , A. Zarrouk","doi":"10.1016/j.cdc.2024.101163","DOIUrl":"10.1016/j.cdc.2024.101163","url":null,"abstract":"<div><div>This work aims at studying the influence of Methanolic Extract of Artemisia (MEA) on copper corrosion inhibition in 0.5 M HNO<sub>3</sub>. The study introduces a novel approach to copper corrosion inhibition in nitric acid using MEA, offering an eco-friendly, biodegradable and sustainable attributes. This aligns with modern environmental and societal concerns. In this context, experimental methods were exploited to investigate the inhibitive action of MEA. According to Potentiodynamic polarization (PDP), Electrochemical Impedance Spectroscopy (EIS) and Weight Loss measurements (WL), the increment of the inhibition efficacy (IE %) depends on the increase of MEA concentration. A maximum of 94 % was obtained in the presence of 550 ppm (MEA), which showed a decrement as temperature increased. The action of MEA was attributed to its adsorption on copper surface following Langmuir isotherm. SEM analysis showed a significant improvement in Cu surface morphology, which had a hydrophobic character after MEA addition as indicated by contact angle (CA) measurements. UV–Vis and solution analysis techniques highlighted the development of a protective layer that mitigated copper dissolution and hindered the access of aggressive ions to copper.</div></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"54 ","pages":"Article 101163"},"PeriodicalIF":2.218,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142324176","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 biological various aryl derivatives of (pyridin-4-yl) imidazo[1,5-a]pyridin-1-yl)oxazoles as anticancer agents 作为抗癌剂的 (吡啶-4-基) 咪唑并[1,5-a]吡啶-1-基)噁唑的各种芳基衍生物的设计、合成和生物学特性

IF 2.218

Chemical Data Collections Pub Date : 2024-08-31 DOI: 10.1016/j.cdc.2024.101162

Krishna Babu Alapati , Dasari Sravani , S. Gouthamsri , Sailaja BBV , Saritha B , Somaiah Nalla

{"title":"Design, synthesis and biological various aryl derivatives of (pyridin-4-yl) imidazo[1,5-a]pyridin-1-yl)oxazoles as anticancer agents","authors":"Krishna Babu Alapati , Dasari Sravani , S. Gouthamsri , Sailaja BBV , Saritha B , Somaiah Nalla","doi":"10.1016/j.cdc.2024.101162","DOIUrl":"10.1016/j.cdc.2024.101162","url":null,"abstract":"<div><div>A new library of various aryl derivatives of (pyridin-4-yl)imidazo[1,5-a]pyridin-1-yl)oxazoles (<strong>10a-j</strong>) and their chemical structures were confirmed by analytical data. Further, the newly derived aryl derivatives (<strong>10a-</strong>j) were evaluated for their preliminary anticancer applications towards four human cancer cell lines, such as human prostate cancer (PC3), human lung cancer (A549), human breast cancer (MCF-7) & human ovarian cancer (A2780) by employing the MTT method. Most of the evaluated compounds displayed remarkable activity as compared with the standard reference, etoposide. The results found that these compounds (<strong>10a, 10b, 10c, 10d</strong> and <strong>10e</strong>) showed more potent activity than standard. Among them, the compound <strong>10a</strong> with 3,4,5-trimethoxy electron donating substituent on the aryl skeleton exhibited most promising activity (PC3 = 0.12±0.096 µM; A549=0.43±0.087 µM; MCF-7 = 0.21±0.093 µM & A2780=0.47±0.083 µM.</div></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"54 ","pages":"Article 101162"},"PeriodicalIF":2.218,"publicationDate":"2024-08-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142357467","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

Aerobic oxidation of 2-hydrazinyl-1-methyl-1H-benzo[d]imidazole in situ: A quantum chemical insight into the reaction background 2-肼基-1-甲基-1H-苯并[d]咪唑的原位有氧氧化：从量子化学角度洞察反应背景

IF 2.218

Chemical Data Collections Pub Date : 2024-08-26 DOI: 10.1016/j.cdc.2024.101161

Andrei V. Erkin, Viktor I. Krutikov

引用次数: 0

Design and one-pot synthesis of 2H(methyl)-3-alkyl-4-oxo-3,4-dihydroquinazoline-6-sulfonamides 2H(甲基)-3-烷基-4-氧代-3,4-二氢喹唑啉-6-磺酰胺的设计和一步法合成

IF 2.218

Chemical Data Collections Pub Date : 2024-08-15 DOI: 10.1016/j.cdc.2024.101160

Sevara M. Allabergenova , Fazliddin A. Zulpanov , Nasiba B. Pirnazarova , Ubaydulla M. Yakubov , Kosim O. Zokhidov , Sirojiddin S. Abdullayev , Azimjon А. Mamadrakhimov , Jamshid M. Ashurov , Akmaljon G. Tojiboev , Burkhon Zh. Elmuradov

引用次数: 0