: Our research focuses on the synthesis of 1,2,3-triazoles through 1,3-dipolar cycloaddition involving arylazides. The reaction demonstrates high efficiency when conducted in the presence of morpholine, resulting in 100% regioselectivity towards a single isomer. A theoretical study of this reaction can be conducted to gain insights into its mechanism and provide valuable information for its optimization. This study involves the use of computational methods, such as density functional theory (DFT), to calculate the structures, energies, and properties of the reactants, intermediates, transition states, and products involved in the reaction. The calculations were performed using the Gaussian09 program with the B3LYP(GD3BJ)/6-31G(d,p) method
{"title":"Theoretical Study of the Addition Reaction of Arylazides to 1,3-Dicarbonyl Compounds","authors":"Adda Abdelghani, Halima Hadj Mokhtar, Ouda Boumaza, Abderrahmane Naous","doi":"10.3390/ecsoc-27-16160","DOIUrl":"https://doi.org/10.3390/ecsoc-27-16160","url":null,"abstract":": Our research focuses on the synthesis of 1,2,3-triazoles through 1,3-dipolar cycloaddition involving arylazides. The reaction demonstrates high efficiency when conducted in the presence of morpholine, resulting in 100% regioselectivity towards a single isomer. A theoretical study of this reaction can be conducted to gain insights into its mechanism and provide valuable information for its optimization. This study involves the use of computational methods, such as density functional theory (DFT), to calculate the structures, energies, and properties of the reactants, intermediates, transition states, and products involved in the reaction. The calculations were performed using the Gaussian09 program with the B3LYP(GD3BJ)/6-31G(d,p) method","PeriodicalId":505262,"journal":{"name":"ECSOC 2023","volume":"48 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139275951","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}
{"title":"Synthesis and Characterization of Hybrid Structures Based on Furan-2(3H)-ones and Chromen-4(4H)-ones—Potential Antibacterial Activity","authors":"E. Arzyamova, Danila O. Tarasov, A. Yegorova","doi":"10.3390/ecsoc-27-16062","DOIUrl":"https://doi.org/10.3390/ecsoc-27-16062","url":null,"abstract":"","PeriodicalId":505262,"journal":{"name":"ECSOC 2023","volume":"3 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139271687","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}
Juan Enrique Tacoronte Morales, Carla Bernal Villavicencio, Xavier Leopoldo Gracia Cervantes, Maria Elizabeth Canchingre, M. Pedroso
{"title":"Uranyl Acetate, a Lewis Acid Catalyst for Acetoxylation of Monoterpenic and Steroidal Alcohols","authors":"Juan Enrique Tacoronte Morales, Carla Bernal Villavicencio, Xavier Leopoldo Gracia Cervantes, Maria Elizabeth Canchingre, M. Pedroso","doi":"10.3390/ecsoc-27-16064","DOIUrl":"https://doi.org/10.3390/ecsoc-27-16064","url":null,"abstract":"","PeriodicalId":505262,"journal":{"name":"ECSOC 2023","volume":"30 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139272559","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}
Paola V. Mazón Ayala, J. C. Romero-Benavides, Jorge Heredia-Moya
{"title":"Synthesis and Evaluation of Thiomethyl-Substituted (4Z)-4-[(Pyrazol-4-yl)methylene]pyrazolone as an Optical Chemosensor","authors":"Paola V. Mazón Ayala, J. C. Romero-Benavides, Jorge Heredia-Moya","doi":"10.3390/ecsoc-27-16123","DOIUrl":"https://doi.org/10.3390/ecsoc-27-16123","url":null,"abstract":"","PeriodicalId":505262,"journal":{"name":"ECSOC 2023","volume":"151 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139273757","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}
Zlatko Lozanovski, Ivana Todorovska, Katerina Dragarska, Jane Bogdanov
{"title":"Synthesis of Symmetrical Monocarbonyl Analogs of Curcumin Containing a 2-Bromobenzylidene Moiety and Spectrophotometric Assessment of Their Reactivity with 2-(Dimethylamino)ethanthiol","authors":"Zlatko Lozanovski, Ivana Todorovska, Katerina Dragarska, Jane Bogdanov","doi":"10.3390/ecsoc-27-16084","DOIUrl":"https://doi.org/10.3390/ecsoc-27-16084","url":null,"abstract":"","PeriodicalId":505262,"journal":{"name":"ECSOC 2023","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139271963","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}
Eugenia Oleynik, Ekaterina Mikhina, D. Grigoreva, V. Maksimova, Lyubov Grebenkina, A. Matveev, E. Zhidkova, E. Lesovaya, Marianna Yakubovskaya
: This work carried out the synthesis of several new synephrine analogues by universal method. Some of the synthesized compounds showed cytotoxicity on myeloid leukaemia cells K562 and lymphoma cell line Granta-519. Molecular docking using the glucocorticoid receptor (GR) model (PDB identifier 1P93) was performed to understand the possible underlying mechanism of compound action. The simulation showed the similarity of synephrine analogues’ binding to the binding of dexamethasone in the GR ligand-binding domain. The synthesized analogues exhibited cytotoxicity profiles similar to those of dexamethasone.
:这项研究采用通用方法合成了几种新的异肾上腺素类似物。合成的部分化合物对骨髓性白血病细胞 K562 和淋巴瘤细胞系 Granta-519 具有细胞毒性。研究人员利用糖皮质激素受体（GR）模型（PDB 标识符 1P93）进行了分子对接，以了解化合物作用的可能潜在机制。模拟结果显示，肾上腺素类似物与地塞米松在 GR 配体结合域的结合具有相似性。合成的类似物表现出与地塞米松相似的细胞毒性特征。
{"title":"Synephrine Analogues as Glucocorticoid Receptor Agonists","authors":"Eugenia Oleynik, Ekaterina Mikhina, D. Grigoreva, V. Maksimova, Lyubov Grebenkina, A. Matveev, E. Zhidkova, E. Lesovaya, Marianna Yakubovskaya","doi":"10.3390/ecsoc-27-16152","DOIUrl":"https://doi.org/10.3390/ecsoc-27-16152","url":null,"abstract":": This work carried out the synthesis of several new synephrine analogues by universal method. Some of the synthesized compounds showed cytotoxicity on myeloid leukaemia cells K562 and lymphoma cell line Granta-519. Molecular docking using the glucocorticoid receptor (GR) model (PDB identifier 1P93) was performed to understand the possible underlying mechanism of compound action. The simulation showed the similarity of synephrine analogues’ binding to the binding of dexamethasone in the GR ligand-binding domain. The synthesized analogues exhibited cytotoxicity profiles similar to those of dexamethasone.","PeriodicalId":505262,"journal":{"name":"ECSOC 2023","volume":"411 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139273790","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}
Juan Enrique Tacoronte Morales, Carla Bernal Villavicencio, Xavier Leopoldo Gracia Cervantes, Maria Elizabeth Canchingre, M. Pedroso
{"title":"GC-MS Analysis of Defensive Secretions of a Cuban Endemic Millipede of the Genus Rhinocricus—Chemical Prospecting of Neotropical Biodiversity","authors":"Juan Enrique Tacoronte Morales, Carla Bernal Villavicencio, Xavier Leopoldo Gracia Cervantes, Maria Elizabeth Canchingre, M. Pedroso","doi":"10.3390/ecsoc-27-16077","DOIUrl":"https://doi.org/10.3390/ecsoc-27-16077","url":null,"abstract":"","PeriodicalId":505262,"journal":{"name":"ECSOC 2023","volume":"79 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139275015","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}
R. B. Salikhov, A. A. Gaskarova, T. Salikhov, A. Ostaltsova, T. T. Yumalin
{"title":"Polyaniline Derivatives for Chemical Sensors of Ammonia Vapor","authors":"R. B. Salikhov, A. A. Gaskarova, T. Salikhov, A. Ostaltsova, T. T. Yumalin","doi":"10.3390/ecsoc-27-16116","DOIUrl":"https://doi.org/10.3390/ecsoc-27-16116","url":null,"abstract":"","PeriodicalId":505262,"journal":{"name":"ECSOC 2023","volume":"8 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139275589","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}
Jessica M. Lorenzo-García, Antonio J. Oliveros-Ortiz, H. M. Arreaga-González, C. Cortés-García, R. D. del Río, Gabriela Rodríguez-García, Mario A. Gómez-Hurtado
{"title":"Transesterification of a Natural Epoxythymol Is Favored under Alkaline Conditions, Preserving the Enantiomeric Purity","authors":"Jessica M. Lorenzo-García, Antonio J. Oliveros-Ortiz, H. M. Arreaga-González, C. Cortés-García, R. D. del Río, Gabriela Rodríguez-García, Mario A. Gómez-Hurtado","doi":"10.3390/ecsoc-27-16140","DOIUrl":"https://doi.org/10.3390/ecsoc-27-16140","url":null,"abstract":"","PeriodicalId":505262,"journal":{"name":"ECSOC 2023","volume":"1 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139276046","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}
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