Improving the accuracy of model-based quantitative nuclear magnetic resonance.

ABSTRACT: Low spectral resolution and extensive peak overlap are the common challenges that preclude quantitative analysis of nuclear magnetic resonance (NMR) data with the established peak integration method. While numerous model-based approaches overcome these obstacles and enable quantification, they intrinsically rely on rigid assumptions about functional forms for peaks, which are often insufficient to account for all unforeseen imperfections in experimental data. Indeed, even in spectra with well-separated peaks whose integration is possible, model-based methods often achieve suboptimal results, which in turn raises the question of their validity for more challenging datasets. We address this problem with a simple model adjustment procedure, which draws its inspiration directly from the peak i

SUBMITTER: Matviychuk Y 

PROVIDER: S-EPMC10500698 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature