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| Registros recuperados : 17 | |
| 2. |  | SILVA, V. H.; GIACHETTO, P. F.; TIZIOTO, P. L.; GONÇALVES, T. M.; REGITANO, L. C. A.; COUTINHO, L. L. A network landscape from CNVs to Nellore cattle beef tenderness. In: INTERNATIONAL SYMPOSIUM ON ANIMAL FUNCTIONAL GENOMICS, 5., 2013, Guarujá. Programme and abstract book... [S.l.: s.n.], 2013. p. 8. ISAFG 2013. AB.01.| Biblioteca(s): Embrapa Agricultura Digital; Embrapa Pecuária Sudeste. |
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| 3. | | GODOY, T. F.; SILVA, V. H.; TESSMANN, A. L.; PANDOLFI, J. R. C.; PEIXOTO, J. de O.; COUTINHO, L. L.; LEDUR, M. C. Adiponectin receptor 2 gene associated with bone traits in broiler chickens. In: CONGRESSO BRASILEIRO DE GENÉTICA, 60., 2014, Guarujá. Resumos... Ribeirão Preto: Sociedade Brasileira de Genética, 2014. p. 39.| Biblioteca(s): Embrapa Suínos e Aves. |
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| 4. | | CARVALHO JUNIOR, P. S.; DINIZ, L. F.; SILVA, G. T. S. T. da; COUTINHO, N. D.; SANTOS, P. G. dos; CARVALHO-SILVA, V. H.; RIBEIRO, C.; ELLENA, J. Amino - imino tautomerism in the salt formation of Albendazole: Hydrobromide and nitrate salts. Crystal Growth & Design, v. 21, 2021. 1122?1135| Biblioteca(s): Embrapa Instrumentação. |
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| 5. | | GODOY, T. F.; MOREIRA, G. C. M.; SILVA, V. H.; BOSCHIERO, C.; LEDUR, M. C.; MOURA, A. S. A. M. T.; COUTINHO, L. L. Identification of CNVs on the genome of Brazilian chicken lines. In: PLANT & ANIMAL GENOME CONFERENCE, 24., 2016, San Diego, CA. [Abstracts...]. San Diego: [s.n.], 2016. Pôster P0646.| Biblioteca(s): Embrapa Suínos e Aves. |
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| 6. | | SILVA, V. H.; PANDOLFI, J. R. C.; GODOY, T. F.; PEIXOTO, J. de O.; TESSMANN, A. L.; CANTAO, M. E.; LEDUR, M. C. Hepatocyte nuclear factor 4 gene associated with bone traits and birth weight in male chickens. In: CONGRESSO BRASILEIRO DE GENÉTICA, 59., 2013, Águas de Lindóia. Resumos... Ribeirão Preto: SBG, 2013. p. 27.| Biblioteca(s): Embrapa Suínos e Aves. |
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| 7. | | PÉRTILLE, F.; BOSAGNA, C. G.; SILVA, V. H. da; BOSCHIERO, C.; NUNES, J. de R. da S.; LEDUR, M. C.; JENSEN, P.; COUTINHO, L. L. High-throughput and cost-effective chicken genotyping using next-generation sequencing. Scientific Reports, v. 6, n. 26929, 2016.| Biblioteca(s): Embrapa Suínos e Aves. |
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| 8. | | GONÇALVES, T. M.; ANDRADE, S. C. S.; GASPARIN, G.; SILVA, V. H. da; REGITANO, L. C. de A.; COUTINHO, L. L. Glutathione pathway could be associated with meat tenderness in Nellore. In: INTERNATIONAL SYMPOSIUM ON ANIMAL FUNCTIONAL GENOMICS, 5., 2013, Guarujá. Abstract... Guarujá:[ s.n.], 2013. AB.40.| Biblioteca(s): Embrapa Pecuária Sudeste. |
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| 9. | | SILVA, V. H. da; REGITANO, L. C. de A.; GEISTLINGER, L.; PÉRTILLE, F.; GIACHETTO, P. F.; BRASSALOTI, R. A.; MOROSINI, N. S.; ZIMMER, R.; COUTINHO, L. L. Genome-wide detection of CNVs and their association with meat tenderness in Nelore cattle. Plos One, june 2016.| Biblioteca(s): Embrapa Pecuária Sudeste. |
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| 10. | | GODOY, T. F.; SILVA, V. H. da; MOREIRA, G. C. M.; BOSCHIERO, C.; LEDUR, M. C.; CROOIJAMANS, R. P.; GROENEN, M. A. M.; COUTINHO, L. L. Inherited CNVs in regions related to breast muscle development in a broiler population. In: PLANT AND ANIMAL GENOME CONFERENCE, 26., 2018, San Diego. Abstracts... [S.l. : s.n.], 2018. Paper 29816. Organizers: Sébastien Praud and Kellye Eversole. PAG XXVI.| Biblioteca(s): Embrapa Suínos e Aves. |
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| 11. | | PÉRTILLE, F.; FELÍCIO, A. M.; ROSÁRIO, M. F. do; SILVA, V. H.; MANGUETTI, T.; SILVA, N. A.; LEDUR, M. C.; COUTINHO, L. L. PPARGC1A indel polymorphism is associated with performance and carcass traits in chickens. In: CONGRESSO BRASILEIRO DE GENÉTICA, 58., 2012, Foz do Iguaçu. Resumos... Foz do Iguaçú: SBG, 2012. p. 72| Biblioteca(s): Embrapa Suínos e Aves. |
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| 12. | | FERNANDES, L. T.; GODOY, T. F.; SILVA, V. H.; PANDOLFI, J. R. C.; CANTAO, M. E.; PEIXOTO, J. de O.; COUTINHO, L. L.; LEDUR, M. C. Sex-specific association of a SNP in the ADIPOR2 gene with carcass traits in a paternal broiler line. In: WORLD CONGRESS OF GENETICS APPLIED TO LIVESTOCK PRODUCTION, 10., 2014, Vancouver. Proceedings... Vancouver: WCGALP: American Society of Animal Science, 2014.| Biblioteca(s): Embrapa Suínos e Aves. |
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| 13. | | GEISTLINGER, L.; SILVA, V. H. da; CESAR, A. S. M.; TIZIOTO, P. C.; WALDRON, L.; ZIMMER, R.; REGITANO, L. C. de A.; COUTINHO, L. L. Widespread modulation of gene expression by copy number variation in skeletal muscle. Scientific Reports, v. 8, n. 1399, p. 1-11, jan. 2018.| Biblioteca(s): Embrapa Pecuária Sudeste. |
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| 14. | | FERNANDES, A. C.; SILVA, V. H. da; GOES, C. P.; MOREIRA, G. C. M.; GODOY, T. F.; IBELLI, A. M. G.; PEIXOTO, J. de O.; CANTAO, M. E.; LEDUR, M. C.; REZENDE, F. M. de; COUTINHO, L. L. Genome-wide detection of CNVs and their association with performance traits in broilers. BMC Genomics, v. 22, n. 354, 2021.| Biblioteca(s): Embrapa Suínos e Aves. |
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| 15. | | MOREIRA, G. C. M.; GODOY, T. F.; BOSCHIERO, C.; CESAR, A. S. M.; REECY, J. M.; LEDUR, M. C.; GARRICK, D.; SILVA, V. H. da; CROOIJAMANS, R. P.; GROENEN, M. A. M.; COUTINHO, L. L. Integration of GWAS, CNV and sele ction signature reveals candidate genes for abdominal fat regulation in chickens. In: WORLD CONGRESS ON GENETICS APPLIED TO LIVESTOCK PRODUCTION, 11., 2018, Auckland, New Zealand. Proceedings... Massey University, 2018. Digital Archive.| Biblioteca(s): Embrapa Suínos e Aves. |
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| 16. | | RAMOS, B.; VAZ, W. F.; DINIZ, L. F.; SANCHES NETO, F. O.; RIBEIRO, J. C. O.; CARVALHO-SILVA, V. H.; TEIXEIRA, A. C. S. C.; RIBEIRO, C.; NAPOLITANO, H. B.; CARVALHO JR, P. S. Kinetics, mechanism, and tautomerism in ametryn acid hydrolysis: From molecular structure to environmental impacts. Chemosphere, v. 324, 138278, 2023. 1 - 10| Biblioteca(s): Embrapa Instrumentação. |
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| 17. | | BRUSCADIN, J. J.; CARDOSO, T. F.; DINIZ, W. J. da S.; AFONSO, J.; SOUZA, M. M. de; PETRINI, J.; ANDRADE, B. G. N.; SILVA, V. H. da; FERRAZ, J. B. S.; ZERLOTINI NETO, A.; MOURÃO, G. B.; COUTINHO, L. L.; REGITANO, L. C. de A. Allele-specific expression reveals functional SNPs affecting muscle-related genes in bovine. Biochimica et Biophysica Acta. Gene Regulatory Mechanisms, v. 1865, n. 8, 194886, Nov. 2022.| Biblioteca(s): Embrapa Agricultura Digital; Embrapa Pecuária Sudeste. |
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| Registros recuperados : 17 | |
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 | Acesso ao texto completo restrito à biblioteca da Embrapa Instrumentação. Para informações adicionais entre em contato com cnpdia.biblioteca@embrapa.br. |
Registro Completo
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Biblioteca(s): |
Embrapa Instrumentação. |
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Data corrente: |
05/07/2023 |
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Data da última atualização: |
05/07/2023 |
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Tipo da produção científica: |
Artigo em Periódico Indexado |
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Circulação/Nível: |
A - 1 |
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Autoria: |
RAMOS, B.; VAZ, W. F.; DINIZ, L. F.; SANCHES NETO, F. O.; RIBEIRO, J. C. O.; CARVALHO-SILVA, V. H.; TEIXEIRA, A. C. S. C.; RIBEIRO, C.; NAPOLITANO, H. B.; CARVALHO JR, P. S. |
|
Afiliação: |
CAUE RIBEIRO DE OLIVEIRA, CNPDIA. |
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Título: |
Kinetics, mechanism, and tautomerism in ametryn acid hydrolysis: From molecular structure to environmental impacts. |
|
Ano de publicação: |
2023 |
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Fonte/Imprenta: |
Chemosphere, v. 324, 138278, 2023. |
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Páginas: |
1 - 10 |
|
ISSN: |
0045-6535 |
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DOI: |
https://doi.org/10.1016/j.chemosphere.2023.138278 |
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Idioma: |
Inglês |
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Conteúdo: |
The excessive use of pesticides and the demand for environmentally friendly compounds have driven the focus to detailed studies of the environmental destination of these compounds. Degradation by hydrolysis of pesticides, when released into the soil, can result in the formation of metabolites with potentially adverse effects on the environment. Moving in this direction, we investigated the mechanism of acid hydrolysis of the herbicide ametryn (AMT) and predicted the toxicities of metabolites through experimental and theoretical approaches. The formation of ionized hydroxyatrazine (HA) occurs with the release of the SCH3- group and the addition of H3O+ to the triazine ring. The tautomerization reactions privileged the conversion of AMT into HA. Furthermore, the ionized HA is stabilized by an intramolecular reaction that provides the molecule in two tautomeric states. Experimentally, the hydrolysis of AMT was obtained under acidic conditions and at room temperature with HA as the main product. HA was isolated in a solid state through its crystallization as organic counterions. The mechanism of conversion of AMT to HA and the experimental investigation of the reaction kinetics allowed us to determine the dissociation of CH3SH as the rate-controlling step in the degradation process that culminates in a half-life between 7 and 24 months under typical acid soil conditions of the Brazilian Midwest ? region with strong agricultural and livestock vocation. The keto and hydroxy metabolites showed substantial thermodynamic stability and a decrease in toxicity compared to AMT. We hope that this comprehensive study will support the understanding of the degradation of s-triazine-based pesticides. MenosThe excessive use of pesticides and the demand for environmentally friendly compounds have driven the focus to detailed studies of the environmental destination of these compounds. Degradation by hydrolysis of pesticides, when released into the soil, can result in the formation of metabolites with potentially adverse effects on the environment. Moving in this direction, we investigated the mechanism of acid hydrolysis of the herbicide ametryn (AMT) and predicted the toxicities of metabolites through experimental and theoretical approaches. The formation of ionized hydroxyatrazine (HA) occurs with the release of the SCH3- group and the addition of H3O+ to the triazine ring. The tautomerization reactions privileged the conversion of AMT into HA. Furthermore, the ionized HA is stabilized by an intramolecular reaction that provides the molecule in two tautomeric states. Experimentally, the hydrolysis of AMT was obtained under acidic conditions and at room temperature with HA as the main product. HA was isolated in a solid state through its crystallization as organic counterions. The mechanism of conversion of AMT to HA and the experimental investigation of the reaction kinetics allowed us to determine the dissociation of CH3SH as the rate-controlling step in the degradation process that culminates in a half-life between 7 and 24 months under typical acid soil conditions of the Brazilian Midwest ? region with strong agricultural and livestock vocation. The keto and hydroxy metabo... Mostrar Tudo |
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Palavras-Chave: |
Conversion of AMT in HA; DFT. |
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Categoria do assunto: |
-- |
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Marc: |
LEADER 02582naa a2200289 a 4500
001 2154804
005 2023-07-05
008 2023 bl uuuu u00u1 u #d
022 $a0045-6535
024 7 $ahttps://doi.org/10.1016/j.chemosphere.2023.138278$2DOI
100 1 $aRAMOS, B.
245 $aKinetics, mechanism, and tautomerism in ametryn acid hydrolysis$bFrom molecular structure to environmental impacts.$h[electronic resource]
260 $c2023
300 $a1 - 10
520 $aThe excessive use of pesticides and the demand for environmentally friendly compounds have driven the focus to detailed studies of the environmental destination of these compounds. Degradation by hydrolysis of pesticides, when released into the soil, can result in the formation of metabolites with potentially adverse effects on the environment. Moving in this direction, we investigated the mechanism of acid hydrolysis of the herbicide ametryn (AMT) and predicted the toxicities of metabolites through experimental and theoretical approaches. The formation of ionized hydroxyatrazine (HA) occurs with the release of the SCH3- group and the addition of H3O+ to the triazine ring. The tautomerization reactions privileged the conversion of AMT into HA. Furthermore, the ionized HA is stabilized by an intramolecular reaction that provides the molecule in two tautomeric states. Experimentally, the hydrolysis of AMT was obtained under acidic conditions and at room temperature with HA as the main product. HA was isolated in a solid state through its crystallization as organic counterions. The mechanism of conversion of AMT to HA and the experimental investigation of the reaction kinetics allowed us to determine the dissociation of CH3SH as the rate-controlling step in the degradation process that culminates in a half-life between 7 and 24 months under typical acid soil conditions of the Brazilian Midwest ? region with strong agricultural and livestock vocation. The keto and hydroxy metabolites showed substantial thermodynamic stability and a decrease in toxicity compared to AMT. We hope that this comprehensive study will support the understanding of the degradation of s-triazine-based pesticides.
653 $aConversion of AMT in HA
653 $aDFT
700 1 $aVAZ, W. F.
700 1 $aDINIZ, L. F.
700 1 $aSANCHES NETO, F. O.
700 1 $aRIBEIRO, J. C. O.
700 1 $aCARVALHO-SILVA, V. H.
700 1 $aTEIXEIRA, A. C. S. C.
700 1 $aRIBEIRO, C.
700 1 $aNAPOLITANO, H. B.
700 1 $aCARVALHO JR, P. S.
773 $tChemosphere$gv. 324, 138278, 2023.
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