Laplace NMR is a powerful tool for studying molecular dynamics and spin interactions, providing diffusion and relaxation information that complements Fourier NMR used for composition determination and structure elucidation. However, Laplace NMR demands sophisticated signal processing algorithms such as inverse Laplace transform (ILT). Due to the inherently ill-posed nature of ILT problems, it is generally challenging to perform satisfactory Laplace NMR processing and reconstruction, particularly for two-dimensional Laplace NMR. Herein, we propose a proof-of-concept approach that blends a physics-informed strategy with data-driven deep learning for two-dimensional Laplace NMR reconstruction. This approach integrates prior knowledge of mathematical and physical laws governing multidimensional decay signals by constructing a forward process model to simulate relationships among different decay factors. Benefiting from a noniterative neural network algorithm that automatically acquires prior information from synthetic data during training, this approach avoids tedious parameter tuning and enhances user friendliness. Experimental results demonstrate the practical effectiveness of this approach. As an advanced and impactful technique, this approach brings a fresh perspective to multidimensional Laplace NMR inversion.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1021/jacs.4c05211 | DOI Listing |
ArXiv
October 2024
ADVANCE - Alliance for Cardiovascular Diagnostic and Treatment Innovation, Johns Hopkins University, Baltimore, USA.
A key component in developing atrial digital twins (ADT) - virtual representations of patients' atria - is the accurate prescription of myocardial fibers which are essential for the tissue characterization. Due to the difficulty of reconstructing atrial fibers from medical imaging, a widely used strategy for fiber generation in ADT relies on mathematical models. Existing methodologies utilze semi-automatic approaches, are tailored to specific morphologies, and lack rigorous validation against imaging fiber data.
View Article and Find Full Text PDFACS Phys Chem Au
September 2024
NMR Research Unit, Faculty of Science, University of Oulu, Oulu 90570, Finland.
Ultrafast nuclear magnetic resonance (NMR) uses spatial encoding to record an entire two-dimensional data set in just a single scan. The approach can be applied to either Fourier-transform or Laplace-transform NMR. In both cases, acquisition times are significantly shorter than traditional 2D/Laplace NMR experiments, which allows them to be used to monitor rapid chemical transformations.
View Article and Find Full Text PDFJ Am Heart Assoc
September 2024
Department of Geriatrics, Tianjin Medical University General Hospital Tianjin Geriatrics Institute Tianjin China.
Background: High cognitive reserve (CR) has been related to lower dementia risk, but its association with heart disease (HD) is unknown. We aimed to explore the relation of CR to HD and cardiac structure and function.
Methods And Results: Within the UK Biobank, 349 907 HD-free participants were followed up.
Macromol Rapid Commun
December 2024
Institute of Chemical Technology and Polymer Chemistry, Karlsruhe Institute of Technology (KIT), Engesserstraße 18, 76131, Karlsruhe, Germany.
The determination of molar masses and their distributions is crucial in polymer synthesis and design. This work presents the current performance and limitations of diffusion-ordered spectroscopy (DOSY) on a low-field (benchtop) NMR spectrometer (at 90 MHz) as an alternative to size exclusion chromatography (SEC) for determining diffusion coefficient distributions (DCDs) and molar mass distributions (MMDs). After optimization for narrowly distributed homopolymers, MMDs obtained with inverse Laplace transformation (ILT) and log-normal distribution are compared with average molar masses obtained with mono- and bi-exponential fits, as well as MMDs obtained from SEC.
View Article and Find Full Text PDFJ Am Chem Soc
August 2024
Department of Electronic Science, Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, State Key Laboratory of Physical Chemistry of Solid Surfaces, Xiamen University, Xiamen, Fujian 361005, China.
Laplace NMR is a powerful tool for studying molecular dynamics and spin interactions, providing diffusion and relaxation information that complements Fourier NMR used for composition determination and structure elucidation. However, Laplace NMR demands sophisticated signal processing algorithms such as inverse Laplace transform (ILT). Due to the inherently ill-posed nature of ILT problems, it is generally challenging to perform satisfactory Laplace NMR processing and reconstruction, particularly for two-dimensional Laplace NMR.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!