[HTML][HTML] NMR spectrum reconstruction as a pattern recognition problem

A Jahangiri, X Han, D Lesovoy, T Agback… - Journal of Magnetic …, 2023 - Elsevier
A new deep neural network based on the WaveNet architecture (WNN) is presented, which
is designed to grasp specific patterns in the NMR spectra. When trained at a fixed non …

Deeper insight into photopolymerization: the synergy of time-resolved nonuniform sampling and diffusion NMR

K Kristinaityte, A Mames, M Pietrzak… - Journal of the …, 2022 - ACS Publications
The comprehensive real-time in situ monitoring of chemical processes is a crucial
requirement for the in-depth understanding of these processes. This monitoring facilitates an …

A fast and efficient tool for the structural characterization of marine dissolved organic matter: Nonuniform sampling 2D COSY NMR

SPB Vemulapalli, C Griesinger… - Limnology and …, 2023 - Wiley Online Library
An in‐depth structural characterization of marine dissolved organic matter (DOM) is crucial
for a better understanding of its connection to marine and global biogeochemical cycles …

[HTML][HTML] Non-uniform sampling of similar NMR spectra and its application to studies of the interaction between alpha-synuclein and liposomes

A Shchukina, TC Schwarz, M Nowakowski… - Journal of Biomolecular …, 2023 - Springer
The accelerated acquisition of multidimensional NMR spectra using sparse non-uniform
sampling (NUS) has been widely adopted in recent years. The key concept in NUS is that a …

Expanding the Limits of Structural Characterization of Marine Dissolved Organic Matter Using Nonuniform Sampling Frequency-Reversed Edited HSQC NMR

SPB Vemulapalli, C Griesinger, T Dittmar - Analytical Chemistry, 2023 - ACS Publications
The multiplicity-edited heteronuclear single quantum correlation (ME-HSQC) NMR method
is widely used for the structural characterization of marine dissolved organic matter (DOM) …

nus-tool: A unified program for generating and analyzing sample schedules for nonuniformly sampled NMR experiments

DL Craft, AD Schuyler - Journal of Magnetic Resonance, 2023 - Elsevier
Increases in digital resolution achieved by high-field NMR require increases in spectral
width. Additionally, the ability to resolve two overlapping peaks requires a sufficiently long …

SCREENES: Enhancing non-uniform sampling reconstruction for symmetrical NMR spectroscopy

Z Fang, B Chen, C Huang, Y Yuan, Y Luo, L Wu… - Analytica Chimica …, 2024 - Elsevier
Background Symmetrical NMR spectroscopy, such as Total Correlation Spectroscopy
(TOCSY) and other homonuclear spectroscopy, displays symmetry in chemical shift but are …

[HTML][HTML] Fisher information for smart sampling in time-domain spectroscopy

L Bolzonello, NF van Hulst, A Jakobsson - The Journal of Chemical …, 2024 - pubs.aip.org
Time-domain spectroscopy encompasses a wide range of techniques, such as Fourier-
transform infrared, pump–probe, Fourier-transform Raman, and two-dimensional electronic …

Non-Uniform Sampling Reconstruction for Symmetrical NMR Spectroscopy by Exploiting Inherent Symmetry

E Lin, Z Fang, Y Huang, Y Yang, Z Chen - arXiv preprint arXiv:2309.13660, 2023 - arxiv.org
Symmetrical NMR spectroscopy constitutes a vital branch of multidimensional NMR
spectroscopy, providing a powerful tool for the structural elucidation of biological …

Revisiting aliasing noise to build more robust sparsity in nonuniform sampling 2D‐NMR

LE Cullen, A Marchiori… - Magnetic Resonance in …, 2023 - Wiley Online Library
A continuing priority is to better understand and resolve the barriers to using nonuniform
sampling (NUS) in challenging small molecule 2D NMR with subsampling of the Nyquist …