Quantification of High-Resolution 1H-[13C] NMR Spectra from Rat Brain Extracts | Zendy

Robin A. de Graaf | Zendy; Golam M. I. Chowdhury | Zendy; Kevin L. Behar | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Open Access

Quantification of High-Resolution ¹H-[¹³C] NMR Spectra from Rat Brain Extracts

Author(s) -

Robin A. de Graaf,

Golam M. I. Chowdhury,

Kevin L. Behar

Publication year - 2014

Publication title -

analytical chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 2.117

H-Index - 332

eISSN - 1520-6882

pISSN - 0003-2700

DOI - 10.1021/ac5006926

Subject(s) - chemistry , spectral line , carbon 13 nmr , isotope , nuclear magnetic resonance spectroscopy , nuclear magnetic resonance , nmr spectra database , spectral resolution , analytical chemistry (journal) , chemical shift , multiplet , in vivo , resolution (logic) , carbon 13 , molecule , chromatography , stereochemistry , organic chemistry , nuclear physics , physics , microbiology and biotechnology , astronomy , artificial intelligence , computer science , biology

NMR spectroscopy in combination with (13)C-labeled substrate infusion is a unique technique to obtain information about dynamic metabolic fluxes noninvasively in vivo. In many cases, the in vivo information content obtained during dynamic (13)C studies in rodents can be enhanced by high-resolution (1)H-[(13)C] NMR spectroscopy on brain extracts. Previously, it has been shown that (1)H NMR spectra from rat brain extracts can be accurately quantified with a spectral fitting routine utilizing simulated basis sets using complete prior knowledge of chemical shifts and scalar couplings. The introduction of (13)C label into the various metabolites presents complications that demand modifications of the spectral fitting routine. As different multiplets within a given molecule accumulate various amounts of (13)C label, the fixed amplitude relationship between multiplets typical for (1)H NMR spectra must be abandoned. In addition, (13)C isotope effects lead to spectral multiplet patterns that become dependent on the amount of (13)C label accumulation, thereby preventing the use of a common basis set. Here a modified spectral fitting routine is presented that accommodates variable (13)C label accumulation and (13)C isotope effects. Spectral fitting results are quantitatively compared to manual integration on column-separated samples in which spectral overlap is minimized.

The content you want is available to Zendy users.

Already have an account? Click here to sign in.

Having issues? You can contact us here

Accelerating Research