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|Title: ||aug-MIA-QSPR on the modeling of sweetness values of disaccharide derivatives|
|???metadata.dc.creator???: ||Nunes, C. A.|
Freitas, M. P.
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.|
|Appears in Collections:||DCA - Artigos publicados em periódicos|
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