Improved Carbohydrate Structure Generalization Scheme for (1)H and (13)C NMR Simulations.

@article{Kapaev2015ImprovedCS,
  title={Improved Carbohydrate Structure Generalization Scheme for (1)H and (13)C NMR Simulations.},
  author={Roman R. Kapaev and Philip V. Toukach},
  journal={Analytical chemistry},
  year={2015},
  volume={87 14},
  pages={
          7006-10
        }
}
The improved Carbohydrate Structure Generalization Scheme has been developed for the simulation of (13)C and (1)H NMR spectra of oligo- and polysaccharides and their derivatives, including those containing noncarbohydrate constituents found in natural glycans. Besides adding the (1)H NMR calculations, we improved the accuracy and performance of prediction and optimized the mathematical model of the precision estimation. This new approach outperformed other methods of chemical shift simulation… CONTINUE READING
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