Chemical Data Collections最新文献_第7页

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 : 2024-12-01 Epub 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":"2024-12-01","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

Corrosion prevention capability of 1,2,3–triazole derivative on mild steel in an acidic medium: Experimental and theoretical approach 1,2,3 -三唑衍生物在酸性介质中对低碳钢的防腐性能：实验与理论探讨

IF 2.218

Chemical Data Collections Pub Date : 2024-12-01 Epub Date: 2024-11-19 DOI: 10.1016/j.cdc.2024.101172

N. Punitha , A. Parvathi Priya

{"title":"Corrosion prevention capability of 1,2,3–triazole derivative on mild steel in an acidic medium: Experimental and theoretical approach","authors":"N. Punitha , A. Parvathi Priya","doi":"10.1016/j.cdc.2024.101172","DOIUrl":"10.1016/j.cdc.2024.101172","url":null,"abstract":"<div><div>The popularity of triazoles for metal corrosion inhibition has increased in recent years. These compounds form a protective film over the metal, which inhibits the interaction among the corrosive agent and metal. By blocking the sites where corrosion typically occurs, triazoles significantly extend the lifespan of metal structures. This makes them an effective and economical choice for various industrial applications. This study explores the ability of 4–nitro–1–octyl–5–phenyl–1H–1,2,3–triazole (NOPT) to inhibit corrosion. The structure of the investigated inhibitor was determined using Proton Nuclear Magnetic Resonance and Carbon–13 Nuclear Magnetic Resonance (<sup>1</sup>H NMR and <sup>13</sup>C NMR) spectroscopy, while its purity was confirmed using Thin Layer Chromatography (TLC). The anticorrosive properties of NOPT on mild steel (MS) samples immersed in 1.0 M HCl were investigated by electrochemical and chemical methods. The inhibitory performance of NOPT was evaluated using scanning electron microscopy (SEM), energy dispersive X–ray spectrometer (EDS) and an atomic force microscope (AFM). The inhibitor reaches its maximum inhibition efficiency of 88.78 % at 150 ppm when the temperature is 302 K. NOPT was found to regulate both cathodic and anodic reactions, and the Langmuir model followed the adsorption isotherm. Based on thermodynamic parameter values, it is suggested that triazoles molecules are physically adsorbed on MS surfaces. Density functional theory (DFT) of NOPT in gas and water phases aligns well with experimental findings. SEM and AFM images indicate that the MS sample immersed in an acidic solution with studied triazole derivative has a smoother surface compared to the acidic solution without the inhibitor. EDS findings confirmed the existence of NOPT molecules on the metal surface.</div></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"54 ","pages":"Article 101172"},"PeriodicalIF":2.218,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142748085","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

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 : 2024-12-01 Epub Date: 2024-09-23 DOI: 10.1016/j.cdc.2024.101164

Robert J. O'Reilly , Mannix P. Balanay

引用次数: 0

Fe3O4@SiO2@β-CD/Ce (IV) as a nano magnetic hybrid organic-inorganic catalyst Fe3O4@SiO2@β-CD/Ce （IV）作为纳米磁性杂化有机-无机催化剂

IF 2.218

Chemical Data Collections Pub Date : 2024-12-01 Epub Date: 2024-11-29 DOI: 10.1016/j.cdc.2024.101175

Azam Meydani, Mohammad Ali Amrollahi, Zahra Zaghaghi

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 : 2024-12-01 Epub 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":"2024-12-01","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

Stereo selective total synthesis of (3R),(5R)-5‑hydroxy-de-O-methyllasiodiplodin (3R),(5R)-5-羟基-脱-O-甲基壳斗素的立体选择性全合成

IF 2.218

Chemical Data Collections Pub Date : 2024-12-01 Epub Date: 2024-10-28 DOI: 10.1016/j.cdc.2024.101169

Saikam Narendra , Paul Douglas Sanasi , Krishnakanth Reddy Leleti , Kiran Kumar Murahari

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 : 2024-12-01 Epub 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":"2024-12-01","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

Corrosion resistance and inhibition behavior of AA6063 in acidic chloride medium: A study using amoxicillin and Griseofulvin AA6063 在酸性氯化物介质中的抗腐蚀性和抑制行为：使用阿莫西林和格列齐特的研究

IF 2.218

Chemical Data Collections Pub Date : 2024-12-01 Epub Date: 2024-11-16 DOI: 10.1016/j.cdc.2024.101173

Joshua O. Atiba , Ojo S.I. Fayomi

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 : 2024-12-01 Epub 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":"2024-12-01","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, 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 : 2024-12-01 Epub 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":"2024-12-01","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