Chemical Data Collections最新文献_第8页

Kinetics and mechanistic approach to electron transfer from renewable isosorbide to Ce (IV) in HClO4 medium HClO4介质中可再生异山梨酯向Ce (IV)电子转移的动力学和机理研究

IF 2.218

Chemical Data Collections Pub Date : 2023-11-30 DOI: 10.1016/j.cdc.2023.101105

Ahmed Fawzy , Nizar El Guesmi , Basim H. Asghar

{"title":"Kinetics and mechanistic approach to electron transfer from renewable isosorbide to Ce (IV) in HClO4 medium","authors":"Ahmed Fawzy , Nizar El Guesmi , Basim H. Asghar","doi":"10.1016/j.cdc.2023.101105","DOIUrl":"https://doi.org/10.1016/j.cdc.2023.101105","url":null,"abstract":"<div><p>Kinetics of isosorbide (S) oxidation by Ce(IV) in aqueous HClO<sub>4</sub> medium has been examined via spectrophotometric technique at fixed ionic strength and temperature. The reaction showed a 1: 2 stoichiometry (S: Ce(IV)). The reaction was studied under pseudo-first order conditions. The dependency of the rate of oxidation reaction on the reactants’ concentrations showed that the reaction was first order in [Ce(IV)], whereas in both [H<sup>+</sup>] and [S], its order was lower than unity. The oxidation rate was directly proportional to ionic strength as well as dielectric constant of the reaction medium. However, it should be mentioned that adding Ce(III) had remarkably not affect the rate. The isosorbide oxidation product was recognized as (1S,4S,5R)-4-hydroxy-2,6-dioxabicyclo[3.3.0]octan-8-one). A mechanistic scheme for oxidation coherent with the observed kinetics was proposed. The rate-law expression was derived which was agreed with the acquired outcomes. The calculated activation quantities recommended construction of a rigid intermediate through the reaction and such process was endothermic and non-spontaneous.</p></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"49 ","pages":"Article 101105"},"PeriodicalIF":2.218,"publicationDate":"2023-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2405830023001167/pdfft?md5=90a75b4044a34890bdea01f0d216dbef&pid=1-s2.0-S2405830023001167-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138484838","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

Crystal structure, intermolecular interactions, charge density distribution and ADME properties of 2-Amino-4-methylpyridinium (oxalate) 0.5: An experimental and theoretical study 2-氨基-4-甲基吡啶(草酸)0.5的晶体结构、分子间相互作用、电荷密度分布和ADME性能的实验和理论研究

IF 2.218

Chemical Data Collections Pub Date : 2023-11-16 DOI: 10.1016/j.cdc.2023.101100

Balasubramanian Hemalatha, Suganya Suresh, Kumaradhas Poomani

{"title":"Crystal structure, intermolecular interactions, charge density distribution and ADME properties of 2-Amino-4-methylpyridinium (oxalate) 0.5: An experimental and theoretical study","authors":"Balasubramanian Hemalatha, Suganya Suresh, Kumaradhas Poomani","doi":"10.1016/j.cdc.2023.101100","DOIUrl":"https://doi.org/10.1016/j.cdc.2023.101100","url":null,"abstract":"<div><p>The titled salt was synthesized by adding 2-Amino-4-methyl pyridine and Oxalic acid at 1:1 ratio, crystallizes in P2<sub>1</sub>/n space group. The crystal structure of the salt 2-amino-4-methylpyridinium oxalate has been determined from the single crystal X-ray analysis. The crystal structure reveals that a protonation process took place in the solid; this confirms the compound is a salt. The molecular structure of the salt forms hydrogen bonding interactions in the crystal. The crystal structure is stabilized by N–H···O and C–H···O type of interactions. The Hirshfeld surface and 2D fingerprint plot analysis has been performed to understand the weak and strong interactions of the salt molecule. The nitrogen atoms N1 and N2 of 2A4MP are hydrogen bonded with a carboxyl group of oxalate forms a <span><math><msubsup><mi>R</mi><mn>2</mn><mn>2</mn></msubsup></math></span>(8) ring motif via intermolecular interactions N1–H1A···O1, N2–H2B···O2. The QTAIM analysis of electron density at the critical points of intermolecular interactions shows the charge density distribution of weak and strong interactions. The <em>in-silico</em> ADME predicts that the salt exhibits the drug-likeness property, high bioavailability and high gastrointestinal absorption.</p></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"48 ","pages":"Article 101100"},"PeriodicalIF":2.218,"publicationDate":"2023-11-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138423307","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

Valorization of the green corrosion inhibitor Marrubium vulgare L.: Electrochemical, thermodynamic, theoretical & surface studies 绿色缓蚀剂Marrubium vulgare L的电化学、热力学、理论和表面研究

IF 2.218

Chemical Data Collections Pub Date : 2023-11-16 DOI: 10.1016/j.cdc.2023.101099

Sara Rached, Amar Habsaoui, Khaoula Mzioud, Redouane Lachhab, Sara Haida, Nordine Errahmany, Mouhsine Galai, Mohamed Ebn Touhami

引用次数: 0

Unveiling the multifaceted incorporation of epoxy-maize cob nanoparticle composite coating of mild steel in mixed acid environment 揭示了环氧-玉米芯纳米复合涂层在混酸环境下的多方位结合

IF 2.218

Chemical Data Collections Pub Date : 2023-11-07 DOI: 10.1016/j.cdc.2023.101097

Victor Sunday Aigbodion

{"title":"Unveiling the multifaceted incorporation of epoxy-maize cob nanoparticle composite coating of mild steel in mixed acid environment","authors":"Victor Sunday Aigbodion","doi":"10.1016/j.cdc.2023.101097","DOIUrl":"https://doi.org/10.1016/j.cdc.2023.101097","url":null,"abstract":"<div><p>The surface components of mild steel used in field applications are always subject to wear and corrosion attacks. Epoxy coatings serve to improve the surface properties of mild steel; nonetheless, they do not deliver a multiplexed advantage compared to their coating with inert non-metallic particles. The parametric addition of maize cob ash nanoparticles modified with 0.5 wt% silver nanoparticles in the epoxy coating of mild steel was investigated. The coating was done using the spraying method. The transmission and scanning electron microscope, X-ray diffraction and electrochemical test in mixed acid environment were used in the characterization of the developed composites coating. A 42.86 and 96.16 % improvement in hardness values and corrosion resistance of mild steel was obtained at modified 8 wt% maize cob ash nanoparticles/epoxy coating. The corrosion potential of the coated samples tends to be higher, whereas that of the uncoated mild steel is lower. This study demonstrates that epoxy-8 wt% maize cob ash nanoparticles modified with 0.5 wt% silver nanoparticles can be used to enhance the anti-corrosion of mild steel in a mixed acid environment.</p></div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"48 ","pages":"Article 101097"},"PeriodicalIF":2.218,"publicationDate":"2023-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"92235436","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

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><p>The present study demonstrates the green selective microdetermination of Cd<sup>2+</sup>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 Cd<sup>2+</sup> concentration. Cd<sup>2+</sup> is elicited into the PIM in this system as the cadmium-D2EHPA complex, which then reacts with ACPAP. ACPAP yields a violet Cd<sup>2+</sup>−ACPAP complex. The λ<sub>max</sub> 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 Cd<sup>2+</sup> ion concentration. Under ideal conditions, the optode has a detection limit of 1.60 ng mL<sup>−1</sup> and a measurement (quantification) limit of 5.0 ng mL<sup>−1</sup>. The PIM-ACPAP system was utilized effectively to detect Cd<sup>2+</sup> ions in environmental real samples.</p></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><p>This study aimed to identify chemical components and evaluate the antioxidant and antibacterial activities of ethanolic and dichloromethane extracts of <em>Ammi visnaga</em> (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 <em>Klebsiella pneumoniae</em> showing sensitivity to the ethanol extract, resulting in a 9 mm inhibition zone. The dichloromethane extract exhibited a 9 mm inhibition zone against <em>Acinetobacter baumannii</em>, 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.</p></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