| dc.creator | Nunes, Cleiton A. | |
| dc.creator | Freitas, Matheus P. | |
| dc.date | 2014-12-10T19:56:15Z | |
| dc.date | 2014-12-10T19:56:15Z | |
| dc.date | 2013-05-25 | |
| dc.date.accessioned | 2023-09-28T19:55:13Z | |
| dc.date.available | 2023-09-28T19:55:13Z | |
| dc.identifier | 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. | |
| dc.identifier | http://link.springer.com/article/10.1007%2Fs00217-013-2032-8 | |
| dc.identifier | http://repositorio.ufla.br/jspui/handle/1/4828 | |
| dc.identifier.uri | https://repositorioslatinoamericanos.uchile.cl/handle/2250/9040151 | |
| dc.description | 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. | |
| dc.language | en | |
| dc.publisher | Federation of European Chemical Societies | |
| dc.rights | acesso aberto | |
| dc.source | European Food Research & Technology | |
| dc.subject | Guanidine derivatives | |
| dc.subject | Sweeteners | |
| dc.subject | aug-MIA-QSPR | |
| dc.subject | Chemometrics | |
| dc.title | aug-MIA-QSPR study of guanidine derivative sweeteners | |
| dc.type | Artigo | |
