Manuel Alejandro Coba-Males, Javier Santamaría-Aguirre, Christian D Alcívar-León
{"title":"In Silico Evaluation of New Fluoroquinolones as Possible Inhibitors of Bacterial Gyrases in Resistant Gram-Negative Pathogens","authors":"Manuel Alejandro Coba-Males, Javier Santamaría-Aguirre, Christian D Alcívar-León","doi":"10.3390/ecsoc-25-11753","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11753","url":null,"abstract":"","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83968025","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}
: Over the past decades, the interest in the fast and sensitive recognition and detection of molecules and ions with biological and/or environmental relevance has increased. Therefore, the search of new molecules capable of coordinating these analytes is an important topic of investiga-tion, especially those with an optical response (via color or fluorescence changes). Thiosemicarbazones are versatile organic compounds due to their wide range of biological activities and interesting optical, electronic and redox properties. Also, they possess various binding sites, whose com-plexing ability can be tuned by the introduction of substituents of different electronic character. Having this in mind, we report the synthesis of a new thiosemicarbazone derivative functionalized with a nitrogen heterocyclic moiety. The new compound was characterized by 1 H and 13 C NMR, UV-Vis absorption and fluorescence spectroscopies. Moreover, a preliminary chemosensory study was undertaken in acetonitrile solutions in the presence of relevant ions with biological, medicinal and environmental relevance showing that this receptor has potential application as a fluorimetric chemosensor. UV-Vis absorption and fluorescence spectroscopies.
{"title":"A Novel Heterocyclic Thiosemicarbazone: Synthesis, Characterization and Preliminary Sensing Studies for Ions","authors":"Maria Lene F. Jardim, M. Raposo, S. Costa","doi":"10.3390/ecsoc-25-11760","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11760","url":null,"abstract":": Over the past decades, the interest in the fast and sensitive recognition and detection of molecules and ions with biological and/or environmental relevance has increased. Therefore, the search of new molecules capable of coordinating these analytes is an important topic of investiga-tion, especially those with an optical response (via color or fluorescence changes). Thiosemicarbazones are versatile organic compounds due to their wide range of biological activities and interesting optical, electronic and redox properties. Also, they possess various binding sites, whose com-plexing ability can be tuned by the introduction of substituents of different electronic character. Having this in mind, we report the synthesis of a new thiosemicarbazone derivative functionalized with a nitrogen heterocyclic moiety. The new compound was characterized by 1 H and 13 C NMR, UV-Vis absorption and fluorescence spectroscopies. Moreover, a preliminary chemosensory study was undertaken in acetonitrile solutions in the presence of relevant ions with biological, medicinal and environmental relevance showing that this receptor has potential application as a fluorimetric chemosensor. UV-Vis absorption and fluorescence spectroscopies.","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89471843","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}
A. Castiñeiras, I. García-Santos, Rocío Torres-Iglesias
We have prepared co-crystals of racemic DL-2-Hydroxy-2-phenylacetic acid (DL-Mandelic acid, DL-H2ma) with achiral 2-Pyridinecarboxamide (picolinamide, pic), 3-Pyridinecarboxamide (nicotinamide, nam) and 4-Pyridinecarboxamide (isonicotinamide, inam); they have been characterized by elemental analysis, single crystal and powder X-ray, IR spectroscopy and 1H and 13C NMR. The crystal packing is stabilized primarily by hydrogen bonding and in some cases through π-π stacking interactions. The analysis of crystal structures reveals the existence of the characteristic heterosynthons with the binding motif R (8) 2 2 (primary amide-carboxilic acid) between pyridinecarboxamide molecules and the acid. Other synthons involve hydrogen bonds like (carboxyl)O-H···N(pyridine) and (hydroxyl)O-H···N(pyridine).
{"title":"Multicomponent Crystalline Solid Forms of Pyridinecarboxamides and DL-2-Hydroxy-2-phenylacetic Acid","authors":"A. Castiñeiras, I. García-Santos, Rocío Torres-Iglesias","doi":"10.3390/ecsoc-25-11729","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11729","url":null,"abstract":"We have prepared co-crystals of racemic DL-2-Hydroxy-2-phenylacetic acid (DL-Mandelic acid, DL-H2ma) with achiral 2-Pyridinecarboxamide (picolinamide, pic), 3-Pyridinecarboxamide (nicotinamide, nam) and 4-Pyridinecarboxamide (isonicotinamide, inam); they have been characterized by elemental analysis, single crystal and powder X-ray, IR spectroscopy and 1H and 13C NMR. The crystal packing is stabilized primarily by hydrogen bonding and in some cases through π-π stacking interactions. The analysis of crystal structures reveals the existence of the characteristic heterosynthons with the binding motif R (8) 2 2 (primary amide-carboxilic acid) between pyridinecarboxamide molecules and the acid. Other synthons involve hydrogen bonds like (carboxyl)O-H···N(pyridine) and (hydroxyl)O-H···N(pyridine).","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74584881","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}
Paula Munín-Cruz, Marcos Rúa-Sueiro, J. M. Ortigueira, M. T. Pereira, J. M. Vila
{"title":"Study on the Effect of the Ligand Structure in Palladium Organometallic Catalysts in the Suzuki–Miyaura Cross-Coupling Reaction","authors":"Paula Munín-Cruz, Marcos Rúa-Sueiro, J. M. Ortigueira, M. T. Pereira, J. M. Vila","doi":"10.3390/ecsoc-25-11730","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11730","url":null,"abstract":"","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75622681","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}
: It is interesting to know the behavior of Protic Ionic Liquids (PILs) within the binary mixture of molecular solvents since it is usual to carry out processes such as organic and inorganic synthesis, or liquid-liquid extractions in the presence of another solvent. Moreover, on certain occasions the absence of water is strictly required. In this sense, it is important to note that the addition of small amounts of IL to the molecular solvent allows a fine adjustment in its microscopic properties; obtaining “ new solvent systems ” with particular properties. Taking into account that solvatochromic indicators are traditionally used as microscopic descriptors to determine the molecular microscopic properties of solvents. In this sense, we look for re-evaluate the behavior of solvatochromic probes and reconsider the validity of traditional polarity scales such as ET(30), in alkylammonium-based PILs and in their mixtures with molecular solvents, taking into account now that the real composition of these PILs depends on the equilibrium of autoprotolysis. In addition to the spectroscopic analysis developed, the characterization of the PILs and their binary mixtures was completed in terms of a ch ange in the ∆pKa of the precursor species of a PIL. Thermal analysis was also employed to determine the acid strength ’ s role in ions complete formation in pure PILs.
{"title":"Solvatochromic Behavior of Polarity Indicators in PILs and Their Mixtures with Molecular Solvents: Autoprotolysis and Its Relation to Acidity","authors":"C. Adam, Lucía Gamba, M. V. Bravo","doi":"10.3390/ecsoc-25-11746","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11746","url":null,"abstract":": It is interesting to know the behavior of Protic Ionic Liquids (PILs) within the binary mixture of molecular solvents since it is usual to carry out processes such as organic and inorganic synthesis, or liquid-liquid extractions in the presence of another solvent. Moreover, on certain occasions the absence of water is strictly required. In this sense, it is important to note that the addition of small amounts of IL to the molecular solvent allows a fine adjustment in its microscopic properties; obtaining “ new solvent systems ” with particular properties. Taking into account that solvatochromic indicators are traditionally used as microscopic descriptors to determine the molecular microscopic properties of solvents. In this sense, we look for re-evaluate the behavior of solvatochromic probes and reconsider the validity of traditional polarity scales such as ET(30), in alkylammonium-based PILs and in their mixtures with molecular solvents, taking into account now that the real composition of these PILs depends on the equilibrium of autoprotolysis. In addition to the spectroscopic analysis developed, the characterization of the PILs and their binary mixtures was completed in terms of a ch ange in the ∆pKa of the precursor species of a PIL. Thermal analysis was also employed to determine the acid strength ’ s role in ions complete formation in pure PILs.","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77169227","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}
Bianca Moraes, Alexandra I. Costa, Patrícia D. Barata, J. V. Prata
{"title":"Carbon Dots Synthesis from Coffee Grounds, and Sensing of Nitroanilines","authors":"Bianca Moraes, Alexandra I. Costa, Patrícia D. Barata, J. V. Prata","doi":"10.3390/ecsoc-25-11777","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11777","url":null,"abstract":"","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76541497","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}
Julio C. Flores-Reyes, Perla Islas-Jácome, A. Gutiérrez-Carrillo, Monica A. Rincón-Guevara, G. V. Suárez-Moreno, Óscar Vázquez-Vera, Leticia Lomas-Romero, E. González-Zamora, A. Islas-Jácome
{"title":"Synthesis of a Symmetrical tris-Tetrazole as Isostere of a Tricarboxylic Acid: Behind New Tridentate Ligands for MOFs","authors":"Julio C. Flores-Reyes, Perla Islas-Jácome, A. Gutiérrez-Carrillo, Monica A. Rincón-Guevara, G. V. Suárez-Moreno, Óscar Vázquez-Vera, Leticia Lomas-Romero, E. González-Zamora, A. Islas-Jácome","doi":"10.3390/ecsoc-25-11751","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11751","url":null,"abstract":"","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80239258","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}
Manuel A. Rentería-Gómez, C. Solorio-Alvarado, Rocío Gámez-Montaño
{"title":"Ultrasound Assisted Synthesis of 1,5-Disubstituted Tetrazoles Containing Propargyl or 2-Azidophenyl Moieties via Ugi-Azide Reaction","authors":"Manuel A. Rentería-Gómez, C. Solorio-Alvarado, Rocío Gámez-Montaño","doi":"10.3390/ecsoc-25-11758","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11758","url":null,"abstract":"","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72654563","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. Thakare, D. Patil, Siddhant V. Kokate, N. Pawar
: Environmental pollution crisis, particularly mercury ions (Hg 2+ ) contamination, seriously threatens the health of all living organisms. Many studies have shown that even extremely low concentrations of Hg 2+ can rigorously damage living organisms. Therefore, it is very much needed for real-time detection of Hg 2+ . To tackle mercury contamination and for its detection, we herewith proposed an intelligent design of a new fluorescent ‘turn-on’ probe, which was prepared based on the mercury-promoted hydrolysis of vinyl ether moiety. The probe rapidly reacted with mercury ions and showed good selectivity over other metal ions. Hg 2+ and other metals ions (100 µ M) in CH 3 CN/HEPES buffer solution (1:1, v / v , 0.1 M, pH = 7.4); excitation wavelength = 560 nm, emission wavelength = 585 nm.
{"title":"Resorufin-Based Colorimetric and Fluorescent Probe for Selective Detection of Mercury (II)","authors":"M. Thakare, D. Patil, Siddhant V. Kokate, N. Pawar","doi":"10.3390/ecsoc-25-11779","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11779","url":null,"abstract":": Environmental pollution crisis, particularly mercury ions (Hg 2+ ) contamination, seriously threatens the health of all living organisms. Many studies have shown that even extremely low concentrations of Hg 2+ can rigorously damage living organisms. Therefore, it is very much needed for real-time detection of Hg 2+ . To tackle mercury contamination and for its detection, we herewith proposed an intelligent design of a new fluorescent ‘turn-on’ probe, which was prepared based on the mercury-promoted hydrolysis of vinyl ether moiety. The probe rapidly reacted with mercury ions and showed good selectivity over other metal ions. Hg 2+ and other metals ions (100 µ M) in CH 3 CN/HEPES buffer solution (1:1, v / v , 0.1 M, pH = 7.4); excitation wavelength = 560 nm, emission wavelength = 585 nm.","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81391800","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}
A. L. Makhamatkhanova, R. R. Nurislamova, V. D’yakonov, U. Dzhemilev
{"title":"3R-Substituted and Norbornane-Annelated 1H-Phospholanoxides: Synthesis and Structure","authors":"A. L. Makhamatkhanova, R. R. Nurislamova, V. D’yakonov, U. Dzhemilev","doi":"10.3390/ecsoc-25-11708","DOIUrl":"https://doi.org/10.3390/ecsoc-25-11708","url":null,"abstract":"","PeriodicalId":11441,"journal":{"name":"ECSOC-25","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2021-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77000915","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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