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The NMR spectra of paramagnetic substances can feature shifts over thousands of ppm. In high magnetic field instruments, this corresponds to extreme offsets, which make it challenging or impossible to achieve uniform excitation without…
Nuclear magnetic resonance (NMR) spectroscopy plays an essential role in deciphering molecular structure and dynamic behaviors. While AI-enhanced NMR prediction models hold promise, challenges still persist in tasks such as molecular…
The rapid advent of machine learning (ML) and artificial intelligence (AI) has catalyzed major transformations in chemistry, yet the application of these methods to spectroscopic and spectrometric data, referred to as Spectroscopy Machine…
Accurately predicting infrared (IR) spectra in computational chemistry using ab initio methods remains a challenge. Current approaches often rely on an empirical approach or on tedious anharmonic calculations, mainly adapted to semi-rigid…
Single-molecule sensitivity of nuclear magnetic resonance (NMR) and angstrom resolution of magnetic resonance imaging (MRI) are the highest challenges in magnetic microscopy. Recent development in dynamical-decoupling- (DD) enhanced diamond…
Nuclear Magnetic Resonance (NMR) and Magnetic Resonance Imaging (MRI) represent versatile tools with diverse applications spanning physics, chemistry, geology, and medical science. This comprehensive review explores the foundational…
Characterization of the molecular properties of surfaces under ambient or chemically reactive conditions is a fundamental scientific challenge. Moreover, many traditional analytical techniques used for probing surfaces often lack dynamic or…
Nuclear magnetic resonance (NMR) spectroscopy is widely used in fields ranging from chemistry, material science to neuroscience. Nanoscale NMR spectroscopy using Nitrogen-vacancy (NV) centers in diamond has emerged as a promising platform…
Two-dimensional Nuclear Magnetic Resonance (NMR) is essential in molecular structure determination. The Nitrogen-Vacancy (NV) center in diamond has been proposed and developed as an outstanding quantum sensor to realize NMR in nanoscale. In…
Nuclear Magnetic Resonance (NMR) spectra are widely used in metabolomics to obtain profiles of metabolites dissolved in biofluids such as cell supernatants. Methods for estimating metabolite concentrations from these spectra are presently…
Reconstructive spectrometers are a promising emerging class of devices that combine complex light scattering with inference to enable compact, high-resolution spectrometry. Thus far, the physical determinants of these devices' performance…
Nuclear Magnetic Resonance (NMR) spectroscopy is an efficient technique to analyze chemical mixtures in which one acquires spectra of the chemical mixtures along one ore more dimensions. One of the important issues is to efficiently analyze…
Magnetic Resonance Imaging (MRI) has become one of the most important tools to screen humans in medicine, virtually every modern hospital is equipped with an NMR tomograph. The potential of NMR in 3D imaging tasks is by far greater, but…
One-dimensional nuclear magnetic resonance (NMR) spectroscopy is essential for molecular structure elucidation in organic synthesis, drug discovery, natural product characterization, and metabolomics, yet its interpretation remains heavily…
Magnetic Resonance Imaging (MRI) is a powerful, non-invasive diagnostic tool; however, its clinical applicability is constrained by prolonged acquisition times. Whilst present deep learning-based approaches have demonstrated potential in…
The drive to improve the sensitivity of nuclear magnetic resonance (NMR) to smaller and smaller sample volumes has led to the development of a variety of techniques distinct from conventional inductive detection. In this chapter, we focus…
Nuclear Magnetic Resonance (NMR) spectroscopy is one of the major techniques in structural biology with over 11,800 protein structures deposited in the Protein Data Bank. NMR can elucidate structures and dynamics of small and medium size…
Molecular structure elucidation from spectroscopic data is a long-standing challenge in Chemistry, traditionally requiring expert interpretation. We introduce NMIRacle, a two-stage generative framework that builds upon recent paradigms in…
Multispectral imaging (MSI) plays a critical role in material classification, environmental monitoring, and remote sensing. However, MSI sensors typically have wavelength-dependent resolution, which limits downstream analysis. MSI…
Multidimensional NMR spectroscopy is one of the basic tools for determining the structure of biomolecules. Unfortunately, the resolution of the spectra is often limited by inter-nuclear couplings. This limitation cannot be overcome by…