Iveta S. Turomsha, Maxim Y. Gvozdev, N. Loginova, G. Ksendzova, N. Osipovich
{"title":"Synthesis, Characterization and Biological Activity of Hydrazones and Their Copper(II) Complexes","authors":"Iveta S. Turomsha, Maxim Y. Gvozdev, N. Loginova, G. Ksendzova, N. Osipovich","doi":"10.3390/ecsoc-26-13576","DOIUrl":"https://doi.org/10.3390/ecsoc-26-13576","url":null,"abstract":"","PeriodicalId":255032,"journal":{"name":"The 26th International Electronic Conference on Synthetic Organic Chemistry","volume":"227 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"116373294","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}
Gloria Pizzoli, F. D’Ottavio, Cecilia Scimmi, Claudio Santi
: Among the different green oxidative protocols, I 2 -catalyzed/DMSO systems have recently received considerable attention due to being greener, efficient, atom-economical, low-cost
{"title":"I2-Catalyzed/DMSO System for the Oxidation of Se-Se Bond Activated by the Use of SynLED Parallel Photoreactor®","authors":"Gloria Pizzoli, F. D’Ottavio, Cecilia Scimmi, Claudio Santi","doi":"10.3390/ecsoc-26-13562","DOIUrl":"https://doi.org/10.3390/ecsoc-26-13562","url":null,"abstract":": Among the different green oxidative protocols, I 2 -catalyzed/DMSO systems have recently received considerable attention due to being greener, efficient, atom-economical, low-cost","PeriodicalId":255032,"journal":{"name":"The 26th International Electronic Conference on Synthetic Organic Chemistry","volume":"54 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125498504","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}
: The increase in bacterial resistance to one or several antibiotics has become a global health problem. Nanocomposites have become a tool against multidrug-resistant bacteria. A nanocomposite, Ag 2 O/SrO/CaO, was prepared from AgNO 3 , SrCl 2 · 6H 2 O, CaCl 2 , and a solution of Na 2 CO 3 via the calcination of the salts mixture. The nanocomposite was successfully prepared by the co-precipitation method and completely according to green chemistry, in terms of synthesis method, solvent and precursors. The nanocomposite was characterized by XRD, XRF, and FESEM analyses. Afterwards, the nanocomposite was applied for antibacterial activity against gram-positive and gram-negative bacteria including PS Aeruginosa, Keleb peneumonia, Staph coccus aureus, Staph sapropphyticus, and Escherichia coli.
{"title":"Antibacterial Activity of Ag2O/SrO/CaO Nanocomposite","authors":"Mina Aghaee, F. Manteghi","doi":"10.3390/ecsoc-26-13577","DOIUrl":"https://doi.org/10.3390/ecsoc-26-13577","url":null,"abstract":": The increase in bacterial resistance to one or several antibiotics has become a global health problem. Nanocomposites have become a tool against multidrug-resistant bacteria. A nanocomposite, Ag 2 O/SrO/CaO, was prepared from AgNO 3 , SrCl 2 · 6H 2 O, CaCl 2 , and a solution of Na 2 CO 3 via the calcination of the salts mixture. The nanocomposite was successfully prepared by the co-precipitation method and completely according to green chemistry, in terms of synthesis method, solvent and precursors. The nanocomposite was characterized by XRD, XRF, and FESEM analyses. Afterwards, the nanocomposite was applied for antibacterial activity against gram-positive and gram-negative bacteria including PS Aeruginosa, Keleb peneumonia, Staph coccus aureus, Staph sapropphyticus, and Escherichia coli.","PeriodicalId":255032,"journal":{"name":"The 26th International Electronic Conference on Synthetic Organic Chemistry","volume":"57 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130174587","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}
Veronika S. Karpushenkova, Liliya I. Glinskaya, Y. Faletrov, K. Bardakova, Yuliya A. Piskun, S. Kostjuk, V. Shkumatov
{"title":"New Photochemical Properties of Azidoaniline and Ciprofloxacin","authors":"Veronika S. Karpushenkova, Liliya I. Glinskaya, Y. Faletrov, K. Bardakova, Yuliya A. Piskun, S. Kostjuk, V. Shkumatov","doi":"10.3390/ecsoc-26-13571","DOIUrl":"https://doi.org/10.3390/ecsoc-26-13571","url":null,"abstract":"","PeriodicalId":255032,"journal":{"name":"The 26th International Electronic Conference on Synthetic Organic Chemistry","volume":"201 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123033618","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 Corredoira-Vázquez, Paula Oreiro-Martínez, A. G. Deibe, J. Sanmartín-Matalobos, M. Fondo
: The formation of imidazolidines from secondary amines and aldehydes is well known. This small cycle can act as a nitrogen donor, and it is usually stable when it coordinates to metal ions. Sometimes, imidazolidines acting as ligands undergo breaking of the C-N bond when coordinating to the metal center, yielding related amines. However, the reorganization of the imidazolidine into a piperazine ring is quite an unusual process. In this work, we describe the transformation of a zinc complex with a ligand containing two imidazolidine moieties into a zinc complex with a piperazine fragment as donor, in the presence of a dysprosium salt.
{"title":"Rearrangement of Imidazolidine to Piperazine Rings in the Presence of DyIII","authors":"Julio Corredoira-Vázquez, Paula Oreiro-Martínez, A. G. Deibe, J. Sanmartín-Matalobos, M. Fondo","doi":"10.3390/ecsoc-26-13547","DOIUrl":"https://doi.org/10.3390/ecsoc-26-13547","url":null,"abstract":": The formation of imidazolidines from secondary amines and aldehydes is well known. This small cycle can act as a nitrogen donor, and it is usually stable when it coordinates to metal ions. Sometimes, imidazolidines acting as ligands undergo breaking of the C-N bond when coordinating to the metal center, yielding related amines. However, the reorganization of the imidazolidine into a piperazine ring is quite an unusual process. In this work, we describe the transformation of a zinc complex with a ligand containing two imidazolidine moieties into a zinc complex with a piperazine fragment as donor, in the presence of a dysprosium salt.","PeriodicalId":255032,"journal":{"name":"The 26th International Electronic Conference on Synthetic Organic Chemistry","volume":"30 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"131701301","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}
Pamela Isabel Japura Huanca, Bianca Araújo Fernandes Veras, Igor de Sousa Oliveira, S. Ferreira
: With the emergence of technological advances, computational analysis in research has become promising by enabling the emergence of scientific production without the need for an experimental laboratory, and it has therefore begun to be used in various sectors, including cytotoxicity. From this perspective, the main objective of this study is to understand the importance of computational analysis for the study of cytotoxicity in natural products in addition to understanding scientific advances on this topic. Thus, this is a narrative-type bibliographic review, carried out between March and September 2022, through the digital databases of Pubmed, SciELO, and the Virtual Health Library with the adoption of the search formula configured with the available descriptors: “in silico analysis”, “cytotoxic”, and “natural products”. This work reaffirmed the importance of computer simulations on cytotoxicity in natural products and provided verification that these types of analyses are a source of knowledge about the structures of natural products, emphasizing the use of in silico analysis of cytotoxic agents, anticancer action, and the treatment of other pathologies. With regard to effectiveness, it is clear that the software reflects results that are similar to studies carried out in vivo. It is noteworthy that the in silico method has an accentuated scientific importance as it allows for a greater adaptability and a lower cost of time and space for research. Thus, such methodology becomes essential in the process of cytotoxicity analysis, obtaining great potential in pharmacological research.
{"title":"In Silico Analysis Applied to the Study of Cytotoxicity in Natural Products","authors":"Pamela Isabel Japura Huanca, Bianca Araújo Fernandes Veras, Igor de Sousa Oliveira, S. Ferreira","doi":"10.3390/ecsoc-26-13557","DOIUrl":"https://doi.org/10.3390/ecsoc-26-13557","url":null,"abstract":": With the emergence of technological advances, computational analysis in research has become promising by enabling the emergence of scientific production without the need for an experimental laboratory, and it has therefore begun to be used in various sectors, including cytotoxicity. From this perspective, the main objective of this study is to understand the importance of computational analysis for the study of cytotoxicity in natural products in addition to understanding scientific advances on this topic. Thus, this is a narrative-type bibliographic review, carried out between March and September 2022, through the digital databases of Pubmed, SciELO, and the Virtual Health Library with the adoption of the search formula configured with the available descriptors: “in silico analysis”, “cytotoxic”, and “natural products”. This work reaffirmed the importance of computer simulations on cytotoxicity in natural products and provided verification that these types of analyses are a source of knowledge about the structures of natural products, emphasizing the use of in silico analysis of cytotoxic agents, anticancer action, and the treatment of other pathologies. With regard to effectiveness, it is clear that the software reflects results that are similar to studies carried out in vivo. It is noteworthy that the in silico method has an accentuated scientific importance as it allows for a greater adaptability and a lower cost of time and space for research. Thus, such methodology becomes essential in the process of cytotoxicity analysis, obtaining great potential in pharmacological research.","PeriodicalId":255032,"journal":{"name":"The 26th International Electronic Conference on Synthetic Organic Chemistry","volume":"49 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"132319062","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}
Nitin R. Deore, T. Pawar, Yadav K. Nagare, Sachin Patil
{"title":"Electrochemical Synthesis of Imidazopyridine and Benzylidene Malononitrile","authors":"Nitin R. Deore, T. Pawar, Yadav K. Nagare, Sachin Patil","doi":"10.3390/ecsoc-26-13567","DOIUrl":"https://doi.org/10.3390/ecsoc-26-13567","url":null,"abstract":"","PeriodicalId":255032,"journal":{"name":"The 26th International Electronic Conference on Synthetic Organic Chemistry","volume":"155 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123258555","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. Vázquez-Tato, J. Seijas, F. Meijide, S. de Frutos, J. V. Tato
: Cholic acid is a trihydroxy bile acid with three hydroxy groups at C-3, C-7 and C-12 carbon atoms; two methyl groups at C-10 and C-13 carbon atoms of the steroid nucleus; and a carboxylic group at C24 of the side alkyl chain. The distance between the oxygen atoms linked to C-7 and C-12 (~4.5 Å) perfectly matches with the edge distance between oxygen atoms in ice. This leads to the design of a cholic acid dimer in which one water molecule is encapsulated between two cholic residues, resembling an ice-like structure. The water molecule participates in four hydrogen bonds, the water simultaneously being acceptor from the O12-H hydroxy groups (two bonds with lengths of 2.177 Å and 2.114 Å) and the donor towards the O-7-H groups (two bonds with lengths of 1.866 Å and 1.920 Å). Regarding this communication, we present the application of the “atoms in molecules” (AIM) theory to the tetrahedral structure. The analysis of the calculated electron density, ρ , is performed using its gradient vector, ∇ ρ , and the Laplacian, ∇ 2 ρ . The calculation of the complexation energy used correction of the basis set superposition error (BSSE) and the counterpoise method. As expected, four critical (3, − 1) points located in the H ... O bond paths were identified. All calculated parameters are in concordance with those of similar systems and obey the proposed criteria for hydrogen bonds. The total energy for the interaction is − 12.67 kcal/mol and is analysed using proposed energy/electron density equations.
{"title":"Hydrogen Bond Binding of Water to Two Cholic Acid Residues","authors":"M. Vázquez-Tato, J. Seijas, F. Meijide, S. de Frutos, J. V. Tato","doi":"10.3390/ecsoc-26-13555","DOIUrl":"https://doi.org/10.3390/ecsoc-26-13555","url":null,"abstract":": Cholic acid is a trihydroxy bile acid with three hydroxy groups at C-3, C-7 and C-12 carbon atoms; two methyl groups at C-10 and C-13 carbon atoms of the steroid nucleus; and a carboxylic group at C24 of the side alkyl chain. The distance between the oxygen atoms linked to C-7 and C-12 (~4.5 Å) perfectly matches with the edge distance between oxygen atoms in ice. This leads to the design of a cholic acid dimer in which one water molecule is encapsulated between two cholic residues, resembling an ice-like structure. The water molecule participates in four hydrogen bonds, the water simultaneously being acceptor from the O12-H hydroxy groups (two bonds with lengths of 2.177 Å and 2.114 Å) and the donor towards the O-7-H groups (two bonds with lengths of 1.866 Å and 1.920 Å). Regarding this communication, we present the application of the “atoms in molecules” (AIM) theory to the tetrahedral structure. The analysis of the calculated electron density, ρ , is performed using its gradient vector, ∇ ρ , and the Laplacian, ∇ 2 ρ . The calculation of the complexation energy used correction of the basis set superposition error (BSSE) and the counterpoise method. As expected, four critical (3, − 1) points located in the H ... O bond paths were identified. All calculated parameters are in concordance with those of similar systems and obey the proposed criteria for hydrogen bonds. The total energy for the interaction is − 12.67 kcal/mol and is analysed using proposed energy/electron density equations.","PeriodicalId":255032,"journal":{"name":"The 26th International Electronic Conference on Synthetic Organic Chemistry","volume":"26 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"123627088","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}
L. I. Tulyabaeva, R. R. Salakhutdinov, T. V. Tyumkina, A. R. Tulyabaev
: The reaction between β -pinene and BF 3 · THF in the presence of the catalytic system Cp 2 TiCl 2 /Mg was carried out for the first time to obtain a 1-fluoro-substituted boraspirane, undescribed previously. The reaction proceeds stereoselectively, but is complicated by the rearrangement of the β -pinene under the Ti-catalyzed reaction conditions.
{"title":"Ti-Catalyzed Reaction of β-Pinene with BF3·THF","authors":"L. I. Tulyabaeva, R. R. Salakhutdinov, T. V. Tyumkina, A. R. Tulyabaev","doi":"10.3390/ecsoc-26-13529","DOIUrl":"https://doi.org/10.3390/ecsoc-26-13529","url":null,"abstract":": The reaction between β -pinene and BF 3 · THF in the presence of the catalytic system Cp 2 TiCl 2 /Mg was carried out for the first time to obtain a 1-fluoro-substituted boraspirane, undescribed previously. The reaction proceeds stereoselectively, but is complicated by the rearrangement of the β -pinene under the Ti-catalyzed reaction conditions.","PeriodicalId":255032,"journal":{"name":"The 26th International Electronic Conference on Synthetic Organic Chemistry","volume":"33 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124609990","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}
: Thiosemicarbazones are a versatile type of organic compounds which are known for their coordination ability with different types of analytes, due to the presence of sulfur and nitrogen heteroatoms. Therefore, the functionalization of thiosemicarbazones with heterocyclic moieties can be a promising route to developing new optical chemosensors. Tributyltin (TBT) is an antifouling component of paints that is acutely toxic to aquatic environments, being quickly absorbed by microorganisms and causing problems such as imposex . Herein, the synthesis of a novel heterocyclic thiosemicarbazone, functionalized with a quinoline moiety, is reported to assess the potential of this recognition moiety for TBT optical chemosensing. A preliminary chemosensory study in acetonitrile solution was performed showing that 50 equivalents of TBT were needed to induce a change of color from colorless to yellow. Spectrophotometric titration was performed to assess the concentration of TBT necessary for a maximum optical signal, revealing that 100 equivalents of TBT were necessary to reach maximum absorbance, although it was able to respond with a detectable color change to a TBT concentration as low as 10 µ M.
{"title":"Synthesis and Chemosensory Studies of a Heterocyclic Thiosemicarbazone as a New Tributyltin Optical Chemosensor","authors":"R. P. Sousa, S. Costa, R. B. Figueira, M. Raposo","doi":"10.3390/ecsoc-26-13540","DOIUrl":"https://doi.org/10.3390/ecsoc-26-13540","url":null,"abstract":": Thiosemicarbazones are a versatile type of organic compounds which are known for their coordination ability with different types of analytes, due to the presence of sulfur and nitrogen heteroatoms. Therefore, the functionalization of thiosemicarbazones with heterocyclic moieties can be a promising route to developing new optical chemosensors. Tributyltin (TBT) is an antifouling component of paints that is acutely toxic to aquatic environments, being quickly absorbed by microorganisms and causing problems such as imposex . Herein, the synthesis of a novel heterocyclic thiosemicarbazone, functionalized with a quinoline moiety, is reported to assess the potential of this recognition moiety for TBT optical chemosensing. A preliminary chemosensory study in acetonitrile solution was performed showing that 50 equivalents of TBT were needed to induce a change of color from colorless to yellow. Spectrophotometric titration was performed to assess the concentration of TBT necessary for a maximum optical signal, revealing that 100 equivalents of TBT were necessary to reach maximum absorbance, although it was able to respond with a detectable color change to a TBT concentration as low as 10 µ M.","PeriodicalId":255032,"journal":{"name":"The 26th International Electronic Conference on Synthetic Organic Chemistry","volume":"12 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2022-11-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"130861514","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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