کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5420689 | 1507514 | 2008 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
13C CPMAS NMR and DFT calculations of anthocyanidins
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: 13C CPMAS NMR and DFT calculations of anthocyanidins 13C CPMAS NMR and DFT calculations of anthocyanidins](/preview/png/5420689.png)
چکیده انگلیسی
Anthocyanidins, red dyes from flower petals and fruits, are beneficial to human health. They attract considerable attention owing to their strong antioxidant and radical scavenging properties, however they are unstable in solution and available in small amounts only. 13C CP MAS NMR spectra were recorded to characterize solid-state conformation of nine anthocyanidins: apigenidin, pelargonidin, cyanidin, delphinidin, peonidin, malvidin robinetidin, luteolinidin and diosmetinidin chlorides. For some carbons, the solid-state chemical shifts were different from those obtained for solutions, indicating differences in conformation and intermolecular interactions. The principal elements of the 13C chemical shift tensor were measured for pelargonidin, cyanidin, delphinidin and malvidin chlorides using PASS-2D NMR technique. DFT GIAO calculations of shielding constants were performed for apigenidin and several geometric isomers of pelargonidin. Comparison of experimental 13C δii with the theoretical shielding parameters was helpful in predicting the most reliable geometry in the solid state. The cross-polarization parameters were obtained from variable-contact time experiments; TCH are longer and the values of T1ÏH are shorter in the order: pelargonidin
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Solid State Nuclear Magnetic Resonance - Volume 34, Issues 1â2, JulyâSeptember 2008, Pages 44-51
Journal: Solid State Nuclear Magnetic Resonance - Volume 34, Issues 1â2, JulyâSeptember 2008, Pages 44-51
نویسندگان
M. Wolniak, I. Wawer,