Chemical Data Collections最新文献_第5页

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

IF 2.218

Chemical Data Collections Pub 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>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 (1–11) as cholinesterase inhibitors. These newly synthesized upon esterification, hydrazide formation and finally through sulfonamide mode of synthesis and were characterized through 1H, 13C NMR and HREI-MS spectroscopic techniques. Synthesized analogues showed an excellent to moderate cholinesterase inhibitory potential. Analogues 10, 7, 9 and 11 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.</div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"51 ","pages":"Article 101132"},"PeriodicalIF":2.218,"publicationDate":"2024-03-18","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

An effect of Datura metel leaves extract on photocatalytic and antimicrobial activity of MgO nanoparticles synthesized via a biogenic method "曼陀罗叶提取物对生物法合成的氧化镁纳米粒子的光催化和抗菌活性的影响"。

IF 2.218

Chemical Data Collections Pub Date : 2024-03-15 DOI: 10.1016/j.cdc.2024.101131

Prathap A․ , H.S. Bhojya Naik , R. Viswanath , Vishnu G․ , Adarshgowda N․ , Kotresh K․R․

{"title":"An effect of Datura metel leaves extract on photocatalytic and antimicrobial activity of MgO nanoparticles synthesized via a biogenic method","authors":"Prathap A․ , H.S. Bhojya Naik , R. Viswanath , Vishnu G․ , Adarshgowda N․ , Kotresh K․R․","doi":"10.1016/j.cdc.2024.101131","DOIUrl":"10.1016/j.cdc.2024.101131","url":null,"abstract":"<div>We compared bare magnesium oxide NPs synthesized by chemical co-precipitation (Bare MgO) with the biogenic synthesis of magnesium oxide NPs (g-MgO) that were fabricated using variant concentrations of datura metel leaf extract (i.e., 10 ml and 20 ml). PXRD, FT-IR, UV–visible spectroscopy, PL, and SEM were performed to investigate the nanoparticles synthesized from Datura metel leaf extraction (DLE). It is evident from the PXRD analysis that these nanoparticles have a diffraction pattern corresponding to cubic MgO and hexagonal Mg(OH)2 crystals with crystal sizes of 8.44, 7.93, and 7.85 nm which, decreased with an increase in Datura leaf extraction concentration. Vibrational stretching modes between 450 and 570 cm−1 for cubic MgO and hexagonal sites were established by FT-IR, and the band gap estimated by UV–visible spectroscopy was found to be 3.87, 4.02, and 4.21 eV with the rise in DLE concentration, highest luminescence intensity was found at 463, 468 and 473 nm. SEM reviles agglomerated images with nanoflakes structure. The rhodamine B dye was degraded by a percentage of 71.05, 74.35, and 79.67 %, under visible light using these nanoparticles. Additionally, well-diffusion testing was performed against gram-positive and gram-negative bacterial strains (Staphylococcus aureus and Klebsiella pneumonia). These relative results indicated that the naturally synthesized NPs show better results than the reported articles.</div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"51 ","pages":"Article 101131"},"PeriodicalIF":2.218,"publicationDate":"2024-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140156321","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

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 : 2024-03-11 DOI: 10.1016/j.cdc.2024.101129

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

引用次数: 0

Design, synthesis and biological evaluation of chalcone incorporated of Pyrimidine-Pyrazine-Oxazoles as anticancer agents 嘧啶-吡嗪-恶唑类查尔酮抗癌剂的设计、合成和生物学评价

IF 2.218

Chemical Data Collections Pub Date : 2024-03-01 DOI: 10.1016/j.cdc.2024.101128

G. Sabita , R. Savitha , K. Divya , E. Shivakumar , K. Bhaskar

引用次数: 0

Corrigendum to 〈’ Application of quality by design approach in HPLC-UV validation of ciprofloxacin in porcine ocular tissue and simulated ocular fluid for quantification in an ex vivo ocular kinetic study’〉猪眼部组织和模拟眼液中环丙沙星的高效液相色谱-紫外定量分析在体外眼动力学研究中的应用》的更正

IF 2.218

Chemical Data Collections Pub Date : 2024-03-01 DOI: 10.1016/j.cdc.2024.101123

Nurul Muhlisah Maddeppungeng , Maria Mir , Muhammad Raihan , Elly Wahyudin , Nur Asma , Patricia Layadi , Diany Elim , Andi Dian Permana

引用次数: 0

Photocatalytic degradation of levofloxacin using ZnO/hydroxyapatite nanocomposite: Optimization using response surface methodology 利用氧化锌/羟基磷灰石纳米复合材料光催化降解左氧氟沙星：利用响应面方法进行优化

IF 2.218

Chemical Data Collections Pub Date : 2024-03-01 DOI: 10.1016/j.cdc.2024.101126

Adrian D. Go , Francis M. dela Rosa , Drexel H. Camacho , Eric R. Punzalan

{"title":"Photocatalytic degradation of levofloxacin using ZnO/hydroxyapatite nanocomposite: Optimization using response surface methodology","authors":"Adrian D. Go , Francis M. dela Rosa , Drexel H. Camacho , Eric R. Punzalan","doi":"10.1016/j.cdc.2024.101126","DOIUrl":"10.1016/j.cdc.2024.101126","url":null,"abstract":"<div>In this study, zinc oxide-hydroxyapatite (ZnO-HAp) nanocomposite was prepared via hydrothermal method for the photodegradation of levofloxacin. The effect of different HAp loadings of the nanocomposite showed that 90 % ZnO<img>HAp has the highest % degradation toward levofloxacin (88.65 %). Then, the 90 % ZnO<img>HAp was characterized with scanning electron microscopy (SEM) and transmission electron microscopy (TEM) which a revealed rod shaped ZnO (70–150 nm) adsorbed on hydroxyapatite plates (500 nm). X-ray diffraction (XRD) and Infrared spectroscopy (FTIR-ATR) confirmed the successful synthesis of ZnO<img>HAp. The 90 % ZnO<img>HAp nanocomposite was used as a photocatalyst to degrade aqueous levofloxacin under UV irradiation. Optimization of the photodegradation was performed using the response surface methodology (Box Behnken model). Analysis of variance of the model showed good predictability and goodness of fit (R2 = 99.05 %, adjusted R2 = 97.33 %, predicted R2 = 91.54 %). The optimum parameters generated were 1.32 g/L catalyst dose, 4 ppm levofloxacin, pH 7.7 and the predicted photodegradation response was 99.99 % using 90 % ZnO<img>HAp. Subsequent experimental verification yielded an actual % degradation of 91.69 % under the obtained optimized conditions. Additionally, the 90 % ZnO<img>HAp phtocatalyst exhibited good recyclability over four cycles.</div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"50 ","pages":"Article 101126"},"PeriodicalIF":2.218,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139918075","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

IF 2.218

Chemical Data Collections Pub 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>A new library of different types of aryl ring attached pyrazole-thiazole-oxazoles (11a-j) was prepared and their structures were characterized by 1HNMR, 13CNMR 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 IC50 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 11e, 11f, 11 g and 11 h displayed more potent anticancer activity as etoposide. All compounds showed selective cytotoxicity against cancer cells but not against normal Vero cells (IC50 = >24 µM), justifying the designing approach to develop a selective anticancer agent.</div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"51 ","pages":"Article 101127"},"PeriodicalIF":2.218,"publicationDate":"2024-03-01","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

Application of quercetin as a green inhibitor to prevent mild steel corrosion in the petroleum industry: Experimental and modelling techniques 在石油工业中应用槲皮素作为绿色抑制剂防止低碳钢腐蚀：实验和建模技术

IF 2.218

Chemical Data Collections Pub Date : 2024-02-06 DOI: 10.1016/j.cdc.2024.101125

J. Saranya , K. Vagdevi , B. Jyothirmai , N. Anusuya , F. Benhiba , I. Warad , A. Zarrouk

{"title":"Application of quercetin as a green inhibitor to prevent mild steel corrosion in the petroleum industry: Experimental and modelling techniques","authors":"J. Saranya , K. Vagdevi , B. Jyothirmai , N. Anusuya , F. Benhiba , I. Warad , A. Zarrouk","doi":"10.1016/j.cdc.2024.101125","DOIUrl":"https://doi.org/10.1016/j.cdc.2024.101125","url":null,"abstract":"<div>Quercetin (QT) is found to be a green source of anti-corrosion additive for M-S protection in 0.5 M sulfuric solution. Weight loss, surface studies, atomic absorption spectroscopy, potentiodynamic polarization (PP), impedance spectroscopy (EIS), - more especially, scanning electron microscopy combined with energy dispersive spectroscopy SEM/EDS—and simulation studies were among the methods used to evaluate the efficacy of corrosion inhibition. With 1000 ppm of the inhibitor at 303 K, the weight loss trials had the highest inhibition effectiveness of 96.8 % which obeyed Langmuir adsorption isotherm. The inhibitor QT is represented as mixed-type as per polarization studies. Scanning electron microscopy test results showed the lesser degradation of the lower M-S surface in 0.5 M H2SO4 solution at 1000 ppm QT. Moreover, modelling studies employing density functional theory (DFT) and molecular dynamics (MD) showed that the green inhibitor QT adsorbed on the M-S surface and formed a barrier on the metal surface.</div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"50 ","pages":"Article 101125"},"PeriodicalIF":2.218,"publicationDate":"2024-02-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139743358","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

Synthesis of Indole Based Sulfonamide Derivatives as potent inhibitors of α-glucosidase and α-amylase in management of type-II diabetes 合成吲哚基磺酰胺衍生物，作为α-葡萄糖苷酶和α-淀粉酶的强效抑制剂用于治疗 II 型糖尿病

IF 2.218

Chemical Data Collections Pub Date : 2024-02-02 DOI: 10.1016/j.cdc.2024.101122

Wasi Ullah , Fazal Rahim , Shawkat Hayat , Hayat Ullah , Muhammad Taha , Shoaib Khan , Amena Khaliq , Saba Bibi , Osama Gohar , Naveed Iqbal , Syed Adnan Ali Shah , Khalid Mohammed Khan

{"title":"Synthesis of Indole Based Sulfonamide Derivatives as potent inhibitors of α-glucosidase and α-amylase in management of type-II diabetes","authors":"Wasi Ullah , Fazal Rahim , Shawkat Hayat , Hayat Ullah , Muhammad Taha , Shoaib Khan , Amena Khaliq , Saba Bibi , Osama Gohar , Naveed Iqbal , Syed Adnan Ali Shah , Khalid Mohammed Khan","doi":"10.1016/j.cdc.2024.101122","DOIUrl":"10.1016/j.cdc.2024.101122","url":null,"abstract":"<div>We have synthesized indole-based sulfonamides derivatives (1–10), characterized through NMR and HR-EIMS, and screened against α-glucosidase and α-amylase enzymes. All the synthesized analogues showed various degrees of inhibitory potential ranging between 1.10 ± 0.10 to 10.90 ± 0.20 µM (against α-glucosidase) and 0.70 ± 0.10 to 11.30 ± 0.20 µM (against α-amylase) as compared to standard acarbose (IC50 = 38.45 ± 0.10 µM and 1.70 ± 0.10 μM, respectively). In both cases, analogues 5 (IC50 = 1.10 ± 0.10 and 0.40 ± 0.10 μM) and 8 (IC50 = 1.20 ± 0.10 and 0.70 ± 0.10 μM) were identified as the most potent among the series. A structure-activity relationship has been established, which mainly depends upon the substitution pattern around the phenyl ring. The interaction of the most potent analogs with the active site of enzymes was determined through a molecular docking study.</div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"50 ","pages":"Article 101122"},"PeriodicalIF":2.218,"publicationDate":"2024-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139662359","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

Efficient effects of chemical reactions and thermal radiation on unsteady magnetohydrodynamic mixed convection in hybrid nanofluid flow over a nonlinearly stretched sheet 化学反应和热辐射对非线性拉伸片上混合纳米流体流中的非稳态磁流体混合对流的有效影响

IF 2.218

Chemical Data Collections Pub Date : 2024-02-01 DOI: 10.1016/j.cdc.2024.101124

S.K.Prasanna Lakshmi , S. Sreedhar , Charankumar Ganteda , S. Maddila

{"title":"Efficient effects of chemical reactions and thermal radiation on unsteady magnetohydrodynamic mixed convection in hybrid nanofluid flow over a nonlinearly stretched sheet","authors":"S.K.Prasanna Lakshmi , S. Sreedhar , Charankumar Ganteda , S. Maddila","doi":"10.1016/j.cdc.2024.101124","DOIUrl":"10.1016/j.cdc.2024.101124","url":null,"abstract":"<div>In this problem, an unsteady magnetohydrodynamic heat and mass transfer study of hybrid nanofluid flow through porous media over a stretched sheet is performed. Additionally, the impacts of thermal radiation and chemical reactions are examined. Alumina (Al2O3) and titanium oxide (TiO2) nanoparticles are mixed, and water is used as the base fluid to create hybrid nanoparticles. The strategy of nonlinear partial differential equations that govern the deconstruction of liquid flow has been diverted into an approach of ordinary differential equations via similitude changeovers and non-dimensional variables. Then, they were solved numerically utilizing the Rung-Kutta fourth-order strategy and miscellaneous firing techniques. The consequence of the derived physical characteristics on the disbandment of momentum, temperature, and concentration of micro particles has also been researched, employing illustrated representations to assign physical meanings to each parameter. This research was conducted to determine the effects of the physical parameters. It should be noted that heat and mass transfer on magnetohydrodynamic flows through porous media, considering the effect of chemical reactions, appears in many natural and artificial transport processes in several branches of science and engineering applications. This phenomenon plays a vital role in the chemical, power, and cooling industries for drying, chemical vapor deposition on surfaces, cooling of nuclear reactors, and petroleum industries. The effects of thermal radiation, mass, and heat transfer are used in many situations in biomedical engineering and aerospace engineering.</div>","PeriodicalId":269,"journal":{"name":"Chemical Data Collections","volume":"50 ","pages":"Article 101124"},"PeriodicalIF":2.218,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139659375","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