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http://repositorio.ufla.br/jspui/handle/1/4743| Título: | aug-MIA-QSPR on the modeling of sweetness values of disaccharide derivatives |
| Palavras-chave: | aug-MIA-QSPR Halogenated disaccharide derivatives Sweeteners Prediction |
| Data do documento: | 21-Nov-2012 |
| Editor: | Swiss Society of Food Science and Technology (SGLWT/SOSSTA) |
| Citação: | NUNES, C. A.; FREITAS, M. P. aug-MIA-QSPR on the modeling of sweetness values of disaccharide derivatives. LWT- Food Science and Technology, Zürich, v. 51, n. 2, p. 405-408, May 2013. |
| Resumo: | Multivariate image analysis applied to quantitative structureeproperty relationships (MIA-QSPR) was used to model the sweetness values relative to sucrose, log (RS), of a series of 40 disaccharides. Two dimensional molecular shape and atomic sizes were capable of predicting the changes in log (RS), giving results of calibration (R 2 1⁄4 0.97) and validation (R 2CV 1⁄4 0.86 and R 2test 1⁄4 0.94) very satisfactory. A novel polyhalogenated derivative with high estimated sweetness was proposed and a glucophoric pattern based on the well-known AH-B- g system has been discussed. The technique avoids unnecessary time and cost-demanding procedures, since new compounds (e.g. food additives) can be designed and their property estimated prior to compound preparation. |
| URI: | http://www.sciencedirect.com/science/article/pii/S0023643812004689 http://repositorio.ufla.br/jspui/handle/1/4743 |
| Aparece nas coleções: | DCA - Artigos publicados em periódicos |
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