Abdelmoughite Ouakil, Soumaya El ismaili, O. El Mahdi, A. Maurady, B. El Bali, M. Lachkar
{"title":"Quantitative Analysis of Total Phenolic and Flavonoid Contents from Stachys mouretii Leaf Extracts","authors":"Abdelmoughite Ouakil, Soumaya El ismaili, O. El Mahdi, A. Maurady, B. El Bali, M. Lachkar","doi":"10.3390/ecsoc-25-11802","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11802","url":null,"abstract":"","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83054865","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}
Odília M. P. F. Luís, Nuna L. P. Ramos, S. Costa, M. Raposo
{"title":"Synthesis, Characterization, and Preliminary Chemosensory Ability of a Novel 2,4,5-Tri(Hetero)Arylimidazole Based on an 8-Hydroxy-Quinoline Group","authors":"Odília M. P. F. Luís, Nuna L. P. Ramos, S. Costa, M. Raposo","doi":"10.3390/ecsoc-25-11748","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11748","url":null,"abstract":"","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":"34 12 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77918226","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}
H. Ghafuri, B. Abbasi, Nastaran Ghanbari, Yegane Rostami, Zeinab Tajik, Mahdi Akhgari
{"title":"Benzene-1,3,5-tricarboxylic Acid-Functionalized Cherry Gum as a Novel and Recoverable Nanocatalyst for Efficient Synthesis of 1,4-polyhydroquinoline Derivatives","authors":"H. Ghafuri, B. Abbasi, Nastaran Ghanbari, Yegane Rostami, Zeinab Tajik, Mahdi Akhgari","doi":"10.3390/ecsoc-25-11717","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11717","url":null,"abstract":"","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":"70 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72923487","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}
: In recent years, push–pull dicyanovinyl derivatives have been reported for several optical applications, including as fluorescent probes for cyanide ion detection. In the presence of cyanide ions, this type of compound exhibits an ICT mechanism associated with the addition of the cyanide ion to the β position of the dicyanovinyl group, due to the strong electron-withdrawing effect of the cyano groups. These structural changes caused by the addition reaction are accompanied by changes in the probe’s absorption and emission. In this work, we report a thiophene-based dicyanovinyl derivative and its prospective application as an anion chemosensor. The photophysical characterization was carried out in acetonitrile and aqueous acetonitrile solutions. Preliminary sensing assays in the presence of various anions of biological, medicinal, and environmental relevance were conducted, and the interaction with CN − was further explored through spectrophotometric titrations.
{"title":"A Thiophene-Based Dicyanovinyl as an Anion Chemosensor","authors":"J. P. Castro, M. Raposo, S. Costa","doi":"10.3390/ecsoc-25-11769","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11769","url":null,"abstract":": In recent years, push–pull dicyanovinyl derivatives have been reported for several optical applications, including as fluorescent probes for cyanide ion detection. In the presence of cyanide ions, this type of compound exhibits an ICT mechanism associated with the addition of the cyanide ion to the β position of the dicyanovinyl group, due to the strong electron-withdrawing effect of the cyano groups. These structural changes caused by the addition reaction are accompanied by changes in the probe’s absorption and emission. In this work, we report a thiophene-based dicyanovinyl derivative and its prospective application as an anion chemosensor. The photophysical characterization was carried out in acetonitrile and aqueous acetonitrile solutions. Preliminary sensing assays in the presence of various anions of biological, medicinal, and environmental relevance were conducted, and the interaction with CN − was further explored through spectrophotometric titrations.","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":"14 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84235627","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}
: Purpurogallin or (6 E ,8 Z )-2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one is a benzotropo-lone possessing a dienic system and is known to inhibit TLR1/TLR2 activation pathway. We have recently described the easy green synthesis of purpurogallin from pyrogallol catalyzed by a copper complex or by vegetable oxidases. The purpurogalline was acetylated and the tetraacetate derivative thus obtained was engaged in a Diels Alder reaction with various dienophiles (benzoquinone, maleic anhydride, ethylmaleimide, phenylmaleimide, etc.). The results obtained will be presented and discussed.
{"title":"Study of Diels–Alder Reactions of Purpurogallin Tetraacetate with Various Dienophiles","authors":"Salima Dib, B. Mostefa-Kara, D. Villemin, N. Bar","doi":"10.3390/ecsoc-25-11707","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11707","url":null,"abstract":": Purpurogallin or (6 E ,8 Z )-2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one is a benzotropo-lone possessing a dienic system and is known to inhibit TLR1/TLR2 activation pathway. We have recently described the easy green synthesis of purpurogallin from pyrogallol catalyzed by a copper complex or by vegetable oxidases. The purpurogalline was acetylated and the tetraacetate derivative thus obtained was engaged in a Diels Alder reaction with various dienophiles (benzoquinone, maleic anhydride, ethylmaleimide, phenylmaleimide, etc.). The results obtained will be presented and discussed.","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":"22 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75866780","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}
Sandra Fernández-Fariña, Isabel Velo-Heleno, M. Martínez‐Calvo, Ana M. González-Noya, Rosa Pedrido
{"title":"Design, Synthesis and Structural Characterization of a Novel Asymmetric Hydrazone-Thiosemicarbazone Ligand with the Aim of Obtaining Interesting Metallosupramolecular Architectures","authors":"Sandra Fernández-Fariña, Isabel Velo-Heleno, M. Martínez‐Calvo, Ana M. González-Noya, Rosa Pedrido","doi":"10.3390/ecsoc-25-11738","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11738","url":null,"abstract":"","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86536590","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}
M. A. Sequeira, Marcos J. Lo Fiego, Juan Daniel Coria, M. J. Castro, M. B. Faraoni
{"title":"Identification of Vitamin D3 Hydroxylated Metabolites in Solanum glaucophyllum Leaves: Towards Its Biosynthetic Pathway Elucidation","authors":"M. A. Sequeira, Marcos J. Lo Fiego, Juan Daniel Coria, M. J. Castro, M. B. Faraoni","doi":"10.3390/ecsoc-25-11686","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11686","url":null,"abstract":"","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":"18 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73695902","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":"Development and Validation of a Multi-Level Computational Protocol for Drug Repurposing in the Treatment of Bacterial Infections","authors":"Tatiana F. Vieira, Rita P. Magalhães, S. Sousa","doi":"10.3390/ecsoc-25-11728","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11728","url":null,"abstract":"","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":"2 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73149001","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}
C. Rojas, C. D. Alcívar León, E. Contreras Aguilar, Paola V. Mazón Ayala, Doménica Muñoz
: This study describes the development of a quantitative structure–property relationship to predict the retention indices of volatile and semi-volatile compounds identified in Arabica coffee samples from different geographical origins. The analytical method utilized rapid headspace solid-phase microextraction (HSSPME)–gas chromatography–time-of-flight mass spectrometry (GC-TOFMS) data measured in divinylbenzene/carboxen/polydimethylsiloxane (DVB/CAR/PDMS) fiber. A total of 102 molecules were optimized with the PM6/ZDO level of theory in order to calculate several molecular descriptors. Ordinary least squares were coupled with genetic algorithm–supervised variable subset selection to find the best three descriptors. For model validation, the dataset was split into a training set (70%) and a test set (30%). The quality of the model was evaluated by means of the coefficient of determination and the root-mean-square error.
{"title":"Quantitative Structure–Property Relationship for the Retention Index of Volatile and Semi-Volatile Compounds of Coffee","authors":"C. Rojas, C. D. Alcívar León, E. Contreras Aguilar, Paola V. Mazón Ayala, Doménica Muñoz","doi":"10.3390/ecsoc-25-11731","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11731","url":null,"abstract":": This study describes the development of a quantitative structure–property relationship to predict the retention indices of volatile and semi-volatile compounds identified in Arabica coffee samples from different geographical origins. The analytical method utilized rapid headspace solid-phase microextraction (HSSPME)–gas chromatography–time-of-flight mass spectrometry (GC-TOFMS) data measured in divinylbenzene/carboxen/polydimethylsiloxane (DVB/CAR/PDMS) fiber. A total of 102 molecules were optimized with the PM6/ZDO level of theory in order to calculate several molecular descriptors. Ordinary least squares were coupled with genetic algorithm–supervised variable subset selection to find the best three descriptors. For model validation, the dataset was split into a training set (70%) and a test set (30%). The quality of the model was evaluated by means of the coefficient of determination and the root-mean-square error.","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":"26 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74736510","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}
Fidel Rodríguez-López, Hugo A. García-Gutiérrez, Rocío Gámez-Montaño
: Herein we describe the synthesis of a small series of α -acyloxycarboxamides via a facile and efficient one-pot procedure, employing a plant-derived triterpenoid as carboxylic acid component. The products were obtained in overall yields of 25 to 79%, while we scoped the effect of the nature of the aldehyde component on the reaction yields.
{"title":"Synthesis of Triterpenoid-Derived α-Acyloxycarboxamides via Passerini Reaction","authors":"Fidel Rodríguez-López, Hugo A. García-Gutiérrez, Rocío Gámez-Montaño","doi":"10.3390/ecsoc-25-11785","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11785","url":null,"abstract":": Herein we describe the synthesis of a small series of α -acyloxycarboxamides via a facile and efficient one-pot procedure, employing a plant-derived triterpenoid as carboxylic acid component. The products were obtained in overall yields of 25 to 79%, while we scoped the effect of the nature of the aldehyde component on the reaction yields.","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":"48 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72723018","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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