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Please use this identifier to cite or link to this item: http://repositorio.ufla.br/jspui/handle/1/4743

Title: aug-MIA-QSPR on the modeling of sweetness values of disaccharide derivatives
???metadata.dc.creator???: Nunes, C. A.
Freitas, M. P.
Keywords: aug-MIA-QSPR
Halogenated disaccharide derivatives
Publisher: Swiss Society of Food Science and Technology (SGLWT/SOSSTA)
Issue Date: 21-Nov-2012
Citation: 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.
Abstract: 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
???metadata.dc.language???: en
Appears in Collections:DCA - Artigos publicados em periódicos

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