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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…

Magnetic resonance spectroscopy (MRS) is a non-invasive technique to measure the metabolic composition of tissues, offering valuable insights into neurological disorders, tumor detection, and other metabolic dysfunctions. However, accurate…

Machine Learning · Statistics 2025-05-09 Julian P. Merkofer , Dennis M. J. van de Sande , Alex A. Bhogal , Ruud J. G. van Sloun

Nuclear Magnetic Resonance (NMR) spectrometry uses electro-frequency pulses to probe the resonance of a compound's nucleus, which is then analyzed to determine its structure. The acquisition time of high-resolution NMR spectra remains a…

Two dimensional nuclear magnetic resonance (NMR) spectroscopy is one of the major tools for analysing the chemical structure of organic molecules and proteins. Despite its power, this technique requires long measurement times, which,…

Nuclear magnetic resonance (NMR) is a powerful spectroscopic technique that is sensitive to the local atomic structure of matter. Computational predictions of NMR parameters can help to interpret experimental data and validate structural…

Materials Science · Physics 2025-08-19 Chiheb Ben Mahmoud , Louise A. M. Rosset , Jonathan R. Yates , Volker L. Deringer

Nuclear magnetic resonance (NMR) spectroscopy has approached the limit of single molecule sensitivity, however the spectral resolution is currently insufficient to obtain detailed information on chemical structure and molecular…

Quantum Physics · Physics 2015-08-19 Xi Kong , Alexander Stark , Jiangfeng Du , Liam P. McGuinness , Fedor Jelezko

Nuclear magnetic resonance (NMR) has been a widely used tool in various scientific fields and practical applications, with quantum control emerging as a promising strategy for synergistic advancements. In this paper, we propose a novel…

Quantum Physics · Physics 2023-09-06 Qian Cao , Tianzi Wang , Wenxian Zhang

Non-inductive magnetometers based on solid-state spins offer a promising solution for small-volume nuclear magnetic resonance (NMR) detection. A remaining challenge is to operate at a sufficiently high magnetic field to resolve chemical…

Efforts to map atomic-scale chemistry at low doses with minimal noise using electron microscopes are fundamentally limited by inelastic interactions. Here, fused multi-modal electron microscopy offers high signal-to-noise ratio (SNR)…

Ferromagnetic resonance (FMR) spectroscopy is a powerful method for quantifying internal magnetic anisotropy fields in nanoparticles, which is important in a wide range of biomedical and storage applications. The interpretation of FMR…

Materials Science · Physics 2022-06-02 David Slay , Michalis Charilaou

Nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI) are well-established techniques that provide valuable information in a diverse set of disciplines but are currently limited to macroscopic sample volumes. Here we…

Near-infrared (NIR) spectroscopy is a non-invasive, low-cost, reagent-less, and rapid technique to measure chemical concentrations in a wide variety of sample types. However, extracting concentration information from the NIR spectrum…

Some inverse problems in high-energy physics, neutron diffraction and NMR spectroscopy are discussed. To solve them, the Fourier integrated transformation method and the Maximum Entropy Technique (MENT) were used. The integrated images of…

High Energy Physics - Experiment · Physics 2007-05-23 B. Z. Belashev , M. K. Suleymanov

Achieving atomic resolution is the ultimate limit of magnetic resonance imaging (MRI), and attaining this capability offers enormous technological and scientific opportunities, from drug development to understanding the dynamics in…

Nitrogen vacancy (NV) centers in diamond have been used as ultrasensitive magnetometers to perform nuclear magnetic resonance (NMR) spectroscopy of statistically polarized samples at 1 - 100 nm length scales. However, the spectral linewidth…

Nuclear Magnetic Resonance (NMR) spectroscopy is a cornerstone technique for determining the structures of small molecules and is especially critical in the discovery of novel natural products and clinical therapeutics. Yet, interpreting…

Machine Learning · Computer Science 2025-12-04 Ziyu Xiong , Yichi Zhang , Foyez Alauddin , Chu Xin Cheng , Joon Soo An , Mohammad R. Seyedsayamdost , Ellen D. Zhong

Nuclear Magnetic Resonance (NMR) spectroscopy is the cornerstone of small-molecule structure elucidation. While deep learning has demonstrated significant potential in automating structure elucidation and spectral simulation, current…

Computational Engineering, Finance, and Science · Computer Science 2026-01-23 Zheng Fang , Chen Yang , Hai-tao Yu , Haoming Luo , Haitao He , Jiaqing Xie , Zhuo Yang , Jun Xia

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…

Mesoscale and Nanoscale Physics · Physics 2021-10-26 M. Poggio , B. E. Herzog

Nuclear magnetic resonance (NMR) spectroscopy is one of the leading techniques for protein studies. The method features a number of properties, allowing to explain macromolecular interactions mechanistically and resolve structures with…

Quantitative Methods · Quantitative Biology 2018-08-03 Piotr Klukowski , Adam Gonczarek

Nuclear magnetic resonance (NMR) spectroscopy serves as an important tool to analyze chemicals and proteins in bioengineering. However, NMR signals are easily contaminated by noise during the data acquisition, which can affect subsequent…

Signal Processing · Electrical Eng. & Systems 2023-10-24 Di Guo , Runmin Xu , Jinyu Wu , Meijin Lin , Xiaofeng Du , Xiaobo Qu