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Theoretical Study of the Addition Reaction of Arylazides to 1,3-Dicarbonyl Compounds 芳基叠氮化物与 1,3-二羰基化合物加成反应的理论研究
ECSOC 2023 Pub Date : 2023-11-15 DOI: 10.3390/ecsoc-27-16160
Adda Abdelghani, Halima Hadj Mokhtar, Ouda Boumaza, Abderrahmane Naous
{"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}
引用次数: 0
Synthesis and Characterization of Hybrid Structures Based on Furan-2(3H)-ones and Chromen-4(4H)-ones—Potential Antibacterial Activity 基于呋喃-2(3H)-酮和色烯-4(4H)-酮的杂化结构的合成与表征-潜在抗菌活性
ECSOC 2023 Pub Date : 2023-11-15 DOI: 10.3390/ecsoc-27-16062
E. Arzyamova, Danila O. Tarasov, A. Yegorova
{"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}
引用次数: 0
Uranyl Acetate, a Lewis Acid Catalyst for Acetoxylation of Monoterpenic and Steroidal Alcohols 醋酸铀，一种用于单萜醇和甾醇乙酰氧基化的路易斯酸催化剂
ECSOC 2023 Pub Date : 2023-11-15 DOI: 10.3390/ecsoc-27-16064
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}
引用次数: 0
Synthesis and Evaluation of Thiomethyl-Substituted (4Z)-4-[(Pyrazol-4-yl)methylene]pyrazolone as an Optical Chemosensor 硫代甲基 (4Z)-4-[(Pyrazol-4-yl)methylene]pyrazolone 作为光学化学传感器的合成与评估
ECSOC 2023 Pub Date : 2023-11-15 DOI: 10.3390/ecsoc-27-16123
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}
引用次数: 0
Synthesis of Symmetrical Monocarbonyl Analogs of Curcumin Containing a 2-Bromobenzylidene Moiety and Spectrophotometric Assessment of Their Reactivity with 2-(Dimethylamino)ethanthiol 含 2-溴亚苄基分子的姜黄素对称单羰基类似物的合成及其与 2-（二甲基氨基）乙硫醇反应的分光光度法评估
ECSOC 2023 Pub Date : 2023-11-15 DOI: 10.3390/ecsoc-27-16084
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}
引用次数: 0
Synephrine Analogues as Glucocorticoid Receptor Agonists 作为糖皮质激素受体激动剂的肾上腺素类似物
ECSOC 2023 Pub Date : 2023-11-15 DOI: 10.3390/ecsoc-27-16152
Eugenia Oleynik, Ekaterina Mikhina, D. Grigoreva, V. Maksimova, Lyubov Grebenkina, A. Matveev, E. Zhidkova, E. Lesovaya, Marianna Yakubovskaya
{"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}
引用次数: 0
GC-MS Analysis of Defensive Secretions of a Cuban Endemic Millipede of the Genus Rhinocricus—Chemical Prospecting of Neotropical Biodiversity 古巴特有的犀牛属千足虫防御性分泌物的气相色谱-质谱分析--新热带生物多样性的化学展望
ECSOC 2023 Pub Date : 2023-11-15 DOI: 10.3390/ecsoc-27-16077
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}
引用次数: 0
Photochemical and Photobiological Activity of Zn, Cu, Ni, Co, Fe and Mn Unsubstituted Phthalocyanines 锌、铜、镍、钴、铁和锰未取代酞菁的光化学和光生物活性
ECSOC 2023 Pub Date : 2023-11-15 DOI: 10.3390/ecsoc-27-16171
Franklin Vargas, Miguel León, Álvaro Álvarez, Sergio Dasilva, Alexis Maldonado
{"title":"Photochemical and Photobiological Activity of Zn, Cu, Ni, Co, Fe and Mn Unsubstituted Phthalocyanines","authors":"Franklin Vargas, Miguel León, Álvaro Álvarez, Sergio Dasilva, Alexis Maldonado","doi":"10.3390/ecsoc-27-16171","DOIUrl":"https://doi.org/10.3390/ecsoc-27-16171","url":null,"abstract":"","PeriodicalId":505262,"journal":{"name":"ECSOC 2023","volume":"41 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139275416","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
Polyaniline Derivatives for Chemical Sensors of Ammonia Vapor 用于氨蒸气化学传感器的聚苯胺衍生物
ECSOC 2023 Pub Date : 2023-11-15 DOI: 10.3390/ecsoc-27-16116
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}
引用次数: 0
Transesterification of a Natural Epoxythymol Is Favored under Alkaline Conditions, Preserving the Enantiomeric Purity 碱性条件下有利于天然环氧硫醇的酯交换反应，从而保持对映体的纯度
ECSOC 2023 Pub Date : 2023-11-15 DOI: 10.3390/ecsoc-27-16140
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}
引用次数: 0
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