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Registro Completo |
Biblioteca(s): |
Embrapa Solos. |
Data corrente: |
31/01/2011 |
Data da última atualização: |
06/06/2013 |
Tipo da produção científica: |
Artigo de Divulgação na Mídia |
Autoria: |
MENEZES, J. F. S.; LIMA, L. M.; SHIGAKI, F.; MEIRE, T.; BENITES, V. de M.; ALVES, B. R.; CAIXETA, D. |
Afiliação: |
June Faria Scherrer Menezes, Fesurv; Luciana Maria Lima, Fesurv; Francirose Shigaki, UFMA; Tacilla Meire, UFMA; VINICIUS DE MELO BENITES, CNPS; Bruno Rodrigues Alves; Daniela Caixeta, Fesurv. |
Título: |
Injeção de cama de aviário no sulco de plantio. |
Ano de publicação: |
2009 |
Fonte/Imprenta: |
Centro Tecnológico COMIGO Resultados 2009, Goiânia, p. 56-57, 2009. |
Páginas: |
3 |
Idioma: |
Português |
Palavras-Chave: |
Cama de frango; Sulco de plantio. |
Categoria do assunto: |
P Recursos Naturais, Ciências Ambientais e da Terra |
URL: |
https://ainfo.cnptia.embrapa.br/digital/bitstream/item/84130/1/15358.pdf
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Marc: |
LEADER 00563nam a2200205 a 4500 001 1875048 005 2013-06-06 008 2009 bl uuuu u00u1 u #d 100 1 $aMENEZES, J. F. S. 245 $aInjeção de cama de aviário no sulco de plantio. 260 $aCentro Tecnológico COMIGO Resultados 2009, Goiânia, p. 56-57$c2009 300 $a3 653 $aCama de frango 653 $aSulco de plantio 700 1 $aLIMA, L. M. 700 1 $aSHIGAKI, F. 700 1 $aMEIRE, T. 700 1 $aBENITES, V. de M. 700 1 $aALVES, B. R. 700 1 $aCAIXETA, D.
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Embrapa Solos (CNPS) |
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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
Biblioteca(s): |
Embrapa Instrumentação. |
Data corrente: |
26/04/2021 |
Data da última atualização: |
10/06/2022 |
Tipo da produção científica: |
Artigo em Periódico Indexado |
Circulação/Nível: |
A - 1 |
Autoria: |
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. |
Afiliação: |
CAUE RIBEIRO DE OLIVEIRA, CNPDIA. |
Título: |
Amino - imino tautomerism in the salt formation of Albendazole: Hydrobromide and nitrate salts. |
Ano de publicação: |
2021 |
Fonte/Imprenta: |
Crystal Growth & Design, v. 21, 2021. |
Páginas: |
1122?1135 |
ISSN: |
1528-7843 |
DOI: |
https://dx.doi.org/10.1021/acs.cgd.0c01444 |
Idioma: |
Inglês |
Conteúdo: |
Albendazole (ABZ) is a poorly soluble anthelmintic drug that can exist in amine and imine desmotropic forms. These facts can affect the solubility and bioavailability of the drug product. Here, we investigate the salt formation of ABZ with the acids HCl, HBr, and HNO3 associated with the tautomerism of the ABZ molecule. The reaction of ABZ with an excess of the acids HCl, HBr, and HNO3 results in the protonation of the imidazole ring, hiding the occurrence of tautomeric states. Thus, the ABZ HCl, ABZ HBr, and ABZ HNO3 salts were obtained and characterized by single-crystal X-ray diffraction, powder X-ray diffraction, FT-infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), thermal gravimetric analysis (TGA), and aqueous solubility measurements. Furthermore, static and dynamic DFT calculations were carried out to understand how the albendazolium cation (ABZ-H+ ) is obtained from ABZ in amine and imine forms. An analysis of crystal structures reveals that cations and anions aggregate in 1D chains stabilized by NH···X (X = Cl−, Br−, O−) interactions, generating layered structures. In solution, the intramolecular amine ↔ imine conversion (ΔG⧧ ≈ 50 kcal mol−1 ) and the solvent-mediated deprotonation of the ABZ-H+ cation (ΔG⧧ ≈ 20 kcal mol−1 ) requires a higher energy barrier to occur, allowing the independence between tautomers to propitiate the crystallization process. Consequently, the process is dependent on the tautomer population in the starting material. All salts were demonstrated to be more soluble than pure ABZ. Given the good physical−chemical profile of these salts, our results show a notable effect on the multicomponent crystal design, manufacturability, and processing of the drug ABZ. MenosAlbendazole (ABZ) is a poorly soluble anthelmintic drug that can exist in amine and imine desmotropic forms. These facts can affect the solubility and bioavailability of the drug product. Here, we investigate the salt formation of ABZ with the acids HCl, HBr, and HNO3 associated with the tautomerism of the ABZ molecule. The reaction of ABZ with an excess of the acids HCl, HBr, and HNO3 results in the protonation of the imidazole ring, hiding the occurrence of tautomeric states. Thus, the ABZ HCl, ABZ HBr, and ABZ HNO3 salts were obtained and characterized by single-crystal X-ray diffraction, powder X-ray diffraction, FT-infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), thermal gravimetric analysis (TGA), and aqueous solubility measurements. Furthermore, static and dynamic DFT calculations were carried out to understand how the albendazolium cation (ABZ-H+ ) is obtained from ABZ in amine and imine forms. An analysis of crystal structures reveals that cations and anions aggregate in 1D chains stabilized by NH···X (X = Cl−, Br−, O−) interactions, generating layered structures. In solution, the intramolecular amine ↔ imine conversion (ΔG⧧ ≈ 50 kcal mol−1 ) and the solvent-mediated deprotonation of the ABZ-H+ cation (ΔG⧧ ≈ 20 kcal mol−1 ) requires a higher energy barrier to occur, allowing the independence between tautomers to propitiate the crystallization process. Consequently, the process is dependent on the tautomer population in the starting material. Al... Mostrar Tudo |
Palavras-Chave: |
Anthelmintic; Crystal structures; Crystallization process. |
Categoria do assunto: |
-- |
Marc: |
LEADER 02599naa a2200277 a 4500 001 2131514 005 2022-06-10 008 2021 bl uuuu u00u1 u #d 022 $a1528-7843 024 7 $ahttps://dx.doi.org/10.1021/acs.cgd.0c01444$2DOI 100 1 $aCARVALHO JUNIOR, P. S. 245 $aAmino - imino tautomerism in the salt formation of Albendazole$bHydrobromide and nitrate salts.$h[electronic resource] 260 $c2021 300 $a1122?1135 520 $aAlbendazole (ABZ) is a poorly soluble anthelmintic drug that can exist in amine and imine desmotropic forms. These facts can affect the solubility and bioavailability of the drug product. Here, we investigate the salt formation of ABZ with the acids HCl, HBr, and HNO3 associated with the tautomerism of the ABZ molecule. The reaction of ABZ with an excess of the acids HCl, HBr, and HNO3 results in the protonation of the imidazole ring, hiding the occurrence of tautomeric states. Thus, the ABZ HCl, ABZ HBr, and ABZ HNO3 salts were obtained and characterized by single-crystal X-ray diffraction, powder X-ray diffraction, FT-infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), thermal gravimetric analysis (TGA), and aqueous solubility measurements. Furthermore, static and dynamic DFT calculations were carried out to understand how the albendazolium cation (ABZ-H+ ) is obtained from ABZ in amine and imine forms. An analysis of crystal structures reveals that cations and anions aggregate in 1D chains stabilized by NH···X (X = Cl−, Br−, O−) interactions, generating layered structures. In solution, the intramolecular amine ↔ imine conversion (ΔG⧧ ≈ 50 kcal mol−1 ) and the solvent-mediated deprotonation of the ABZ-H+ cation (ΔG⧧ ≈ 20 kcal mol−1 ) requires a higher energy barrier to occur, allowing the independence between tautomers to propitiate the crystallization process. Consequently, the process is dependent on the tautomer population in the starting material. All salts were demonstrated to be more soluble than pure ABZ. Given the good physical−chemical profile of these salts, our results show a notable effect on the multicomponent crystal design, manufacturability, and processing of the drug ABZ. 653 $aAnthelmintic 653 $aCrystal structures 653 $aCrystallization process 700 1 $aDINIZ, L. F. 700 1 $aSILVA, G. T. S. T. da 700 1 $aCOUTINHO, N. D. 700 1 $aSANTOS, P. G. dos 700 1 $aCARVALHO-SILVA, V. H. 700 1 $aRIBEIRO, C. 700 1 $aELLENA, J. 773 $tCrystal Growth & Design$gv. 21, 2021.
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