JOURNAL OF ADVANCES IN CHEMISTRY最新文献_第3页

Structural And Vibrational Studies on Isomers of Antiviral Ribavirin Drug in Gas and Aqueous Environmental by Using The SQM Approach 用SQM方法研究抗病毒利巴韦林药物在气体和水环境中的结构和振动

JOURNAL OF ADVANCES IN CHEMISTRY Pub Date : 2019-01-31 DOI: 10.24297/JAC.V16I0.8099

María Florencia Ladetto, M. J. Márquez, D. Romani, S. Brandán

{"title":"Structural And Vibrational Studies on Isomers of Antiviral Ribavirin Drug in Gas and Aqueous Environmental by Using The SQM Approach","authors":"María Florencia Ladetto, M. J. Márquez, D. Romani, S. Brandán","doi":"10.24297/JAC.V16I0.8099","DOIUrl":"https://doi.org/10.24297/JAC.V16I0.8099","url":null,"abstract":"Five stable isomers of antiviral ribavirin agent were theoretically determined in gas and aqueous solution by using the hybrid B3LYP/6-31G* method. Here, the solvent effects were studied with the self consistent reaction field (SCRF) methodology employing the polarized continuum (PCM) and the universal solvation model (SM). Structural, electronic and topological properties were reported for all isomers while the vibrational analyses were performed only for those two polymorphic structures experimentally observed in the solid phase by X-ray diffraction. Calculations have evidenced that C2 correspond to the polymorphic V1 structure while C5 to the polymorphic V2 structure. The high dipole moment values predicted for C2 and C5 in both media could probably explain their presences in the solid. Experimental available IR and Raman spectra of ribavirin in the solid state and normal internal coordinates were employed together with the scaled quantum mechanical force field (SQMFF) approach to perform the complete vibrational assignments in both media. Here, the 81 vibration modes expected for C2 and C5 in both media were completely assigned. The frontier orbitals studies reveal that C5 is the less reactive in both media. Here, the gap value observed for C5 is in agreement with the value recently reported for ribavirin by using B3LYP/6-311++G** calculations.","PeriodicalId":14904,"journal":{"name":"JOURNAL OF ADVANCES IN CHEMISTRY","volume":"109 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2019-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76279798","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: 6

Synthesis, Spectroscopic Characterization And Antimicrobial Evaluation of Novel Nitrogen Containing Metal Complexes 新型含氮金属配合物的合成、光谱表征及抗菌评价

JOURNAL OF ADVANCES IN CHEMISTRY Pub Date : 2019-01-31 DOI: 10.24297/JAC.V16I0.8030

H. El-Boraey, Aballah El-domiaty

引用次数: 0

Thermal decomposition of 3,6-diphenyl-1,2,4,5-tetroxane in nitromethane solution 3,6-二苯基-1,2,4,5-四己烷在硝基甲烷溶液中的热分解

JOURNAL OF ADVANCES IN CHEMISTRY Pub Date : 2018-12-31 DOI: 10.24297/JAC.V15I2.7961

N. Jorge, A. G. Bordón, A. N. Pila, Mariela I. Profeta, M. Jorge, L. C. Jorge, J. M. Romero

引用次数: 0

Anion Recognition Via polarized –N-H Fragments 通过极化-N-H片段识别阴离子

JOURNAL OF ADVANCES IN CHEMISTRY Pub Date : 2018-12-31 DOI: 10.24297/jac.v15i2.7963

M. A. Kaloo

引用次数: 0

Adsorption Of No3--N And Po43--P in Aqueous Solution Using Granular Activated Charcoal (Gac) 颗粒活性炭(Gac)吸附水中No3—N和Po43—P的研究

JOURNAL OF ADVANCES IN CHEMISTRY Pub Date : 2018-12-03 DOI: 10.24297/JAC.V15I2.7881

Y. Hong, K. Ryoo

引用次数: 0

The Colloidal Quantum Dots Suitability for Long Term Cell Imaging 胶体量子点长期细胞成像的适用性

JOURNAL OF ADVANCES IN CHEMISTRY Pub Date : 2018-12-01 DOI: 10.24297/JAC.V15I2.7879

P. Farias, A. Galembeck, Wilson Souza Mendonca, A. Stingl

{"title":"The Colloidal Quantum Dots Suitability for Long Term Cell Imaging","authors":"P. Farias, A. Galembeck, Wilson Souza Mendonca, A. Stingl","doi":"10.24297/JAC.V15I2.7879","DOIUrl":"https://doi.org/10.24297/JAC.V15I2.7879","url":null,"abstract":"Fluorescent semiconductor nanoparticles in tree-dimensional quantum confinement, quantum dots (QDs), synthesized in aqueous medium, and functionalized with polyethylene glycol, were used as nonspecific nanosized probes for the long-term imaging of glial cells. In vitro living healthy as well as cancer glial cells were labelled by direct insertion of a small volume of QDs contained in aqueous suspension into the culture wells. A long-term monitoring (over 7 days) of the cells was performed and no evidence of cell fixation and/or damage was observed. Two control groups, healthy and non-healthy glial cells, were used to compare cell viability. During the observation period, labelled cells kept the same behavior compared to non-labelled control samples. To our knowledge, this is the first report of the viability of quantum dots for long-term imaging of living cells. This opens a large range of possibilities related to a better understand of cellular mechanisms, which till now was not achieved by any other fluorescent probe. The study also permitted the observation of two distinct interaction kinetics between cells and QDs. Healthy glial cells were mainly labelled at their surface, while non-healthy glial cells have shown a high rate in the uptake of QDs.","PeriodicalId":14904,"journal":{"name":"JOURNAL OF ADVANCES IN CHEMISTRY","volume":"13 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75807678","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

Aspartic Acid as Corrosion Inhibitor of Mild Steel Corrosion Using Weight Loss, Acidimetry and EIS Measurement 用失重法、酸度法和EIS法测定天冬氨酸对低碳钢的缓蚀剂

JOURNAL OF ADVANCES IN CHEMISTRY Pub Date : 2018-12-01 DOI: 10.24297/jac.v15i2.7883

S. O. Adejo, S. G. Yiase, J. A. Gbertyo, E. Ojah

{"title":"Aspartic Acid as Corrosion Inhibitor of Mild Steel Corrosion Using Weight Loss, Acidimetry and EIS Measurement","authors":"S. O. Adejo, S. G. Yiase, J. A. Gbertyo, E. Ojah","doi":"10.24297/jac.v15i2.7883","DOIUrl":"https://doi.org/10.24297/jac.v15i2.7883","url":null,"abstract":"Corrosion inhibition characteristics of aspartic acid on mild steel corrosion in 0.5 M H2SO4 was investigated using weight loss, acidimetry, and electrochemical impedance spectroscopy (EIS). Analysis of the metal surface morphology, uninhibited and inhibited, was carried out through scanned electron microscope. The results showed that the inhibition efficiency increased with increase in inhibitors concentration and rise in temperature for all methods used. The highest v efficiency of 32.36 %, 66.26 % and 80.40 % were obtained for weight loss, acidimetry and EIS, respectively. The low value of efficiency for weight loss compared to other methods should signify the limitation for the method. The increase in efficiency with rise in temperature is a feature of chemical adsorption, which was confoirmed by the value of parameter b of the Adejo-Ekwenchi adsorption isotherm (AEI) model. Values of free energy of adsorption, ?Gads were all negative for all the methods, which means the adsorption processes were spontaneous. The heats of adsorption, Qads values were all positive, implying that the processes were endothermic. Values of activation energy were fairly constant, which is an evident to support the proposed chemical adsorption mechanism. The negative sign in the values of entropy of adsorption, ?Sads is an indication that the activated complex in the rate-determining step was associative. The data obtained was tested with several isotherms, but found to best fit into the El-Awady, Freundlich and Tempkin adsorption isotherm models.","PeriodicalId":14904,"journal":{"name":"JOURNAL OF ADVANCES IN CHEMISTRY","volume":"129 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82180227","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

Direct Spectrophotometric Determination of Cefuroxime Axetil in Pure Form and Pharmaceutical Dosage Forms. 直接分光光度法测定头孢呋辛酯的纯剂型和药用剂型。

JOURNAL OF ADVANCES IN CHEMISTRY Pub Date : 2018-12-01 DOI: 10.24297/JAC.V15I2.7878

A. Ramadan, M. Bakdash

引用次数: 3

Differential Pulse Anodic Stripping Voltammetric Analysis for Determination Selenium (IV) in Bulk and in Dosage Formulations Using Multi-Modified Gold Electrode With a Mixture of O-Phenylenediamine and 2,3-Diaminonaphthalene-Nafion 邻苯二胺- 2,3-二氨基萘钠复合修饰金电极差脉冲阳极溶出伏安法测定大剂量和定量制剂中的硒

JOURNAL OF ADVANCES IN CHEMISTRY Pub Date : 2018-11-01 DOI: 10.24297/JAC.V15I2.7818

A. Ramadan, H. Mandil, Abdulrahman Shikh-Debes

{"title":"Differential Pulse Anodic Stripping Voltammetric Analysis for Determination Selenium (IV) in Bulk and in Dosage Formulations Using Multi-Modified Gold Electrode With a Mixture of O-Phenylenediamine and 2,3-Diaminonaphthalene-Nafion","authors":"A. Ramadan, H. Mandil, Abdulrahman Shikh-Debes","doi":"10.24297/JAC.V15I2.7818","DOIUrl":"https://doi.org/10.24297/JAC.V15I2.7818","url":null,"abstract":"The effect of gold electrode modified with 2,3-Diaminonaphthalene (GEMDANN) or multi-modified or a mixture 2,3-diaminonaphthalene and o-phenylenediamine -nafion (GEMDAN-OPDAN) on determination of selenium (IV) using differential pulse anodic stripping voltammetric analysis (DPASVA) has been studied. Various parameters (electrolyte, deposition time, pulse duration, pulse amplitude, etc.) are affecting determination of the Se(IV) in HClO4 (0.2 M) at pH 0.22 were examined. Under the optimum conditions, liner calibration graph, Ip=f(CSe4+), were obtained in the concentration ranges of 5x10-8 - 1x10-6 M (3.948 -78.96 ng.mL-1 ) with relative standard deviations (RSD) 4.2% and detection limit 0.056 ng.mL-1, and 1x10-9 -1x10-6 M (0.07896 -78.96 ng.mL-1 ) with relative standard deviations (RSD) 4.9% and detection limit was 0.014 ng.mL-1 on GEMDANN and GEMDAN-OPDAN, respectively. This method showed a good accumulation efficiency for selenium and good resistance to interferences from metal ions as well as those associated with selenium in pharmaceuticals. The results for the determination of Se4+ using GEMDAN-OPDAN (multi-modified) were more sensitive (about 50 times) than that obtained using GEMDANN.","PeriodicalId":14904,"journal":{"name":"JOURNAL OF ADVANCES IN CHEMISTRY","volume":"19 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2018-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90695553","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: 1

Detection and Classification of Leukemia using MPFCM Segmentation and Random Forest with Boosting Techniques 基于MPFCM分割和随机森林增强技术的白血病检测与分类

JOURNAL OF ADVANCES IN CHEMISTRY Pub Date : 2018-09-19 DOI: 10.24297/jac.v13i1.4656

Kalaiselvi Chinnathambi

引用次数: 0