کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
226607 | 464553 | 2006 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Simple method to calculate partition coefficient of migrant in food simulant/polymer system
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
مهندسی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
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چکیده انگلیسی
Food-packaging interactions are defined as an interplay between food, packaging and the environment, which produces an effect on the food and/or package. In this part, quantitative structure–property relationships (QSPR) were developed for calculating K values based on molecular descriptors. We developed a simple method for estimating partition coefficients of 44 systems (food/migrant/packaging) of diverse physical and chemical properties such as molecular weight, polarity, HLB and LUMO energy. The molecular descriptors were derived from quantum-chemical and constitutional descriptors. The correlation coefficient (R2) was 0.96 for 41 systems and 0.94 for validation of three systems.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Food Engineering - Volume 77, Issue 1, November 2006, Pages 135–139
Journal: Journal of Food Engineering - Volume 77, Issue 1, November 2006, Pages 135–139
نویسندگان
Elmira Arab Tehrany, Frantz Fournier, Stéphane Desobry,