Use este identificador para citar ou linkar para este item: http://repositorio.ufla.br/jspui/handle/1/4828
Título : aug-MIA-QSPR study of guanidine derivative sweeteners
Autor: Nunes, Cleiton A.
Freitas, Matheus P.
Palavras-chave: Guanidine derivatives
Sweeteners
aug-MIA-QSPR
Chemometrics
Publicador: Federation of European Chemical Societies
Data da publicação: 25-Mai-2013
Referência: NUNES, C. A.; FREITAS, M.P. aug-MIA-QSPR study of guanidine derivative sweeteners. European Food Research & Technology, Berlin, v. 237, n. 4, p. 565-570, Oct. 2013.
Abstract: The sweetness values relative to sucrose (RS) of a series of sweet-tasting guanidine derivatives have been modeled using augmented multivariate image analysis applied to quantitative structure–property relationship (aug-MIA-QSPR). This QSPR approach is based on 2D molecular shape, as well as atomic sizes and colors to encode chemical, physical and biological properties. A 2 predictive model with r 2 = 0.955, q 2 = 0.731 and r test 1⁄4 0:571 was used to estimate log(RS) of two novel sweet- tasting guanidine derivatives, which were built from the combination of substructures of the sweetest derivatives along the series. Given the synergistic effect of different substituents to provide new molecules, promising guani- dine sweeteners are proposed for further synthesis.
URI: http://link.springer.com/article/10.1007%2Fs00217-013-2032-8
http://repositorio.ufla.br/jspui/handle/1/4828
Idioma: en
Aparece nas coleções:DCA - Artigos publicados em periódicos

Arquivos associados a este item:
Não existem arquivos associados a este item.


Os itens no repositório estão protegidos por copyright, com todos os direitos reservados, salvo quando é indicado o contrário.