کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1169782 | 960651 | 2008 | 8 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
A combination of spectral re-alignment and BTEM for the estimation of pure component NMR spectra from multi-component non-reactive and reactive systems
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The deconvolution of multi-component mixtures in NMR spectroscopy is a challenging problem due to the spectral non-linearities. In the present contribution, two data sets were studied (A) 10 samples of a four-component non-reactive mixture measured with 1H, 13C, 19F, 31P NMR and (B) a three-solute cyclo-addition reaction measured with 13C NMR. Both data sets were treated with a re-alignment procedure to correct for the non-stationary chemical shifts, followed by band-target entropy minimization (BTEM) analysis. For data set A, quite good spectral estimates of the two hydrogen-containing species, four carbon-containing species, two fluorine-containing species and two phosphorus-containing species were obtained from the multi-component data. For data set B quite good spectral estimates of all three carbon-containing reactants were obtained as well as their relative concentration profiles. The present contribution using model systems indicates the usefulness of re-alignment procedures for correcting non-stationary characteristics, prior to self-modeling curve resolution (SMCR), and the potential for investigating more complex problems.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Analytica Chimica Acta - Volume 608, Issue 1, 4 February 2008, Pages 48-55
Journal: Analytica Chimica Acta - Volume 608, Issue 1, 4 February 2008, Pages 48-55
نویسندگان
Liangfeng Guo, Peter Sprenger, Marc Garland,