Login / Signup

ELSA-PSYCHE: An Improved Method for Protecting Pure Shift Spectra from Artifacts.

Ziqiao ChenXintong ZhangYulan LinZhong Chen
Published in: The journal of physical chemistry letters (2024)
Numerous 1 H- 1 H J couplings contribute to complex multiplets in 1 H nuclear magnetic resonance spectroscopy, leading to an ambiguous spectral assignment, particularly for strongly coupled protons. Although the PSYCHE approach has proven to be effective in simplifying complex spectra by collapsing J couplings, the PSYCHE pure shift spectrum of strongly coupled protons always suffers from sideband artifacts and baseline oscillations, which impede spectral identification. Herein, we introduce a novel universal technique designed to separate artifacts from the desired absorption-mode pure shift signals. This new study will significantly benefit the development of molecular structure elucidations and composition analysis in the fields of chemistry, biochemistry, and metabonomics.
Keyphrases
  • image quality
  • optical coherence tomography
  • density functional theory
  • cone beam
  • dual energy
  • working memory
  • magnetic resonance imaging
  • computed tomography
  • magnetic resonance
  • single molecule
  • drug discovery