Orbital: The Electronic Journal of Chemistry最新文献_第9页

Mixtures and Their Separation Methods: The Use of Didactic Games, the Jigsaw Method and Everyday Life as Facilitators to Construct Chemical Knowledge in High School 混合物及其分离方法:运用教学游戏、拼图法和日常生活作为促进因素构建高中化学知识

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Orbital: The Electronic Journal of Chemistry Pub Date : 2021-12-30 DOI: 10.17807/orbital.v13i5.1650

Gabriela Pereira Dos Santos, Danilo Ribeiro De Morais, C. R. de Souza, Nicole A. R. Fonseca, M. Miranda

引用次数: 1

What is Expected from a Reviewer? 对审稿人的期望是什么?

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Orbital: The Electronic Journal of Chemistry Pub Date : 2021-12-30 DOI: 10.17807/orbital.v13i5.1655

G. Demets

引用次数: 0

Computational Chemistry: Sulfamic Acid Catalyzed PEG-400 Mediated Synthesis, Molecular Structure, HOMO–LUMO, UV-visible, Vibrational, and Reactivity Descriptors Analysis of 2-(Furan-2-yl)-1H-benzo[d]imidazole 计算化学:氨基磺酸催化PEG-400介导合成，分子结构，HOMO-LUMO，紫外可见，振动和反应性描述子分析2-(呋喃-2-基)- 1h -苯并咪唑

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Orbital: The Electronic Journal of Chemistry Pub Date : 2021-12-30 DOI: 10.17807/orbital.v13i5.1625

V. A. Adole, Bapusonu Jagdale, R. H. Waghchaure

引用次数: 3

Novel Protocol for Synthesis of O,O-Dialkyl Monothiophospharic Acid Sodium Salt O，O-二烷基单硫代磷酸钠盐的合成新工艺

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Orbital: The Electronic Journal of Chemistry Pub Date : 2021-12-30 DOI: 10.17807/orbital.v13i5.1597

Kawade Deepak Shivaji, S. R. Vaidya S. R, D. S. Kawade

引用次数: 0

Acoustical Studies of Molecular Interactions in the Solution of Streptomycin Drug at Different Temperatures and Concentrations 链霉素药物溶液在不同温度和浓度下分子相互作用的声学研究

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Orbital: The Electronic Journal of Chemistry Pub Date : 2021-10-05 DOI: 10.17807/orbital.v13i4.1465

R. Naik

引用次数: 0

A Review: Synthesis of Biodiesel from Low/Off Grade Crude Palm Oil on Pretreatment, Transesterification, and Characteristics 低/Off级粗棕榈油制备生物柴油的预处理、酯交换及特性研究进展

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Orbital: The Electronic Journal of Chemistry Pub Date : 2021-10-05 DOI: 10.17807/orbital.v13i4.1632

S. Sumari, A. Santoso, Muhammad Roy Asrori

引用次数: 3

Catastrophic Collision Between Obesity and COVID-19 Have Evoked the Computational Chemistry for Research in Silico Design of New CaMKKII Inhibitors Against Obesity by Using 3D-QSAR, Molecular Docking, and ADMET 肥胖和新冠肺炎之间的灾难性碰撞引发了计算化学，用于通过3D-QSAR、分子对接和ADMET对新型CaMKKII肥胖抑制剂的硅设计研究

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Orbital: The Electronic Journal of Chemistry Pub Date : 2021-10-05 DOI: 10.17807/orbital.v13i4.1608

H. Hajji, F. En-nahli, I. Aanouz, H. Zaki, T. Lakhlifi, M. A. Ajana, M. Bouachrine

{"title":"Catastrophic Collision Between Obesity and COVID-19 Have Evoked the Computational Chemistry for Research in Silico Design of New CaMKKII Inhibitors Against Obesity by Using 3D-QSAR, Molecular Docking, and ADMET","authors":"H. Hajji, F. En-nahli, I. Aanouz, H. Zaki, T. Lakhlifi, M. A. Ajana, M. Bouachrine","doi":"10.17807/orbital.v13i4.1608","DOIUrl":"https://doi.org/10.17807/orbital.v13i4.1608","url":null,"abstract":"The purpose of the paper is to discuss the various methods and computational approaches, which are used in computer-aided drug design. For this reason, pyrimidine and azaindole derivatives have been used to study the inhibitory activity of CaMKKII. It is an enzyme that enters the brain to greatly reduce food from regulating the production of Ghrelin that is synthesized by the stomach and acts on the hypothalamus. The obtained results from different techniques such as the 3D-QSAR, molecular docking, and ADMET were applied to study series of new CaMKKII inhibitors of 23 molecules based on pyrimidine and azaindole derivatives. The CoMFA and CoMSIA models were used in 19 molecules in the training set that give high values of determination coefficient R-2 0.970 and 0.902 respectively, and significant values of Leave-One-Out cross-validation coefficient Q(2) 0.614 and 0.583 respectively. The predictive capacity of this model was examined by external validation though using a test set of four compounds with a predicted determination coefficient test R-ext(2) of 0.778 and 0.972 successively. The method of alignment adapted with the appropriate parameters gave credible models. The CoMFA and CoMSIA models produce the contour maps which were used to define a 3D-QSAR mode.","PeriodicalId":19680,"journal":{"name":"Orbital: The Electronic Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2021-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44326779","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: 4

Potential Drug Candidates in Clinical Trials for the Treatment of Covid-19: An Updated Overview 新冠肺炎临床试验中潜在的候选药物：最新综述

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Orbital: The Electronic Journal of Chemistry Pub Date : 2021-10-05 DOI: 10.17807/orbital.v13i4.1638

O. I. A. Cáceres, Timóteo Fernanda, Kristiane Fanti Del Pino Santos, Rafael Rodrigo Piva Vasconcelos, M. Martines, Juliana Jorge, H. Rashid

{"title":"Potential Drug Candidates in Clinical Trials for the Treatment of Covid-19: An Updated Overview","authors":"O. I. A. Cáceres, Timóteo Fernanda, Kristiane Fanti Del Pino Santos, Rafael Rodrigo Piva Vasconcelos, M. Martines, Juliana Jorge, H. Rashid","doi":"10.17807/orbital.v13i4.1638","DOIUrl":"https://doi.org/10.17807/orbital.v13i4.1638","url":null,"abstract":"The coronavirus (SARS-CoV-2) emerged in December 2019 in Wuhan, China and by the end of April 2020, it spread to more than 200 countries worldwide. Particularly the USA, Brazil, Spain, Italy, France, Germany, UK, Turkey, Iran, and Russia were the most affected countries till December 2020. Currently, most of the researchers are in a continuous struggle to develop a vaccine or new drugs to combat Covid-19. There are more than 30 drug candidates including Western medicines, natural products, and traditional Chinese medicines, that have shown to exhibit some efficacy against this highly infectious virus. This review encompasses the potential efficacy of some key drugs recently tested against Covid-19. With the rapid spread of Covid-19 reaching a new level every day, there is an immediate need to find safe and effective measures to diagnose, treat, mitigate, and combat the disease. Looking at the alarming dimensions that the disease is acquiring, treatment strategies among the different drug systems are being investigated. Currently, clinical management includes infection prevention, control measures, and supportive care, including supplemental oxygen and mechanical ventilation when indicated. The pharmaceutical interventions evaluated for the treatment of Covid-19 include human immunoglobulin, interferons, chloroquine, hydroxychloroquine, arbidol, remdesivir, oseltamivir, favipiravir, carrimycin, methylprednisolone, bevacizumab, thalidomide, vitamin C, pyrodfenidone, darthviravir, bromexistone, ryrexavir, lopinavir, xiyanping, and traditional Chinese medicine. But still, the researchers are struggling to discover the most effective drug for the treatment of the current pandemic of Covid-19.","PeriodicalId":19680,"journal":{"name":"Orbital: The Electronic Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":0.6,"publicationDate":"2021-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42303564","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

Evaluation of Thermal Stress in Saccharomyces cerevisiae Concerning Ethanol Production and Assimilation of Amino Acids in Saccharine Substrate 酿酒酵母的热应力与乙醇生产和糖化底物中氨基酸同化的关系

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Orbital: The Electronic Journal of Chemistry Pub Date : 2021-10-05 DOI: 10.17807/orbital.v13i4.1553

Maria do Socorro Mascarenhas Santos, L. Mueller, M. Batistote, C. Cardoso

引用次数: 0

Post-treatment of Anaerobic Reactor Effluent by Double Filtration with Gravel and Clinoptilolite and Ozone Disinfection 砾石和斜发沸石双重过滤及臭氧消毒对厌氧反应器出水的后处理

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Orbital: The Electronic Journal of Chemistry Pub Date : 2021-10-05 DOI: 10.17807/orbital.v13i4.1617

Â. D. G. L. C. Costa, Cleber Pinto da Silva, Danilo Gabriel dos Santos Matos, Carlos R. Pedroso, C. M. Vidal, J. B. de Souza, S. X. de Campos

引用次数: 0