FESTA: An Efficient Nuclear Magnetic Resonance Approach for the Structural Analysis of Mixtures Containing Fluorinated Species.
Laura CastañarPinelopi MoutzouriThaís M BarbosaCláudio Francisco TormenaRoberto RittnerAndrew R PhillipsSteven R CoombesMathias NilssonGareth A MorrisPublished in: Analytical chemistry (2018)
In complex mixtures, proton nuclear magnetic resonance (NMR) spectra are often very crowded, making spectral analysis complicated or even impossible, particularly when detailed structural information about the mixture components is needed. A new 1D NMR method (fluorine-edited selective TOCSY acquisition, FESTA) is introduced that facilitates the structural analysis of mixtures of species that contain fluorine. It allows simplified 1H spectra to be obtained that show only those protons that are in a spin system coupled to fluorine of interest. The new method is illustrated by factorizing a complex 1H spectrum into subspectra for individual spin systems involving different 19F sites.
Keyphrases
- magnetic resonance
- density functional theory
- positron emission tomography
- ionic liquid
- pet imaging
- room temperature
- contrast enhanced
- high resolution
- single molecule
- crispr cas
- molecular dynamics
- optical coherence tomography
- magnetic resonance imaging
- healthcare
- solid state
- mass spectrometry
- genetic diversity
- data analysis
- health information