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Mass spectrometry is a widely used method to study molecules and processes in medicine, life sciences, chemistry, catalysis, and industrial product quality control, among many other applications. One of the main features of some mass…

Chemical Physics · Physics 2024-07-02 Daniil A. Boiko , Valentine P. Ananikov

Magnetic resonance spectroscopy (MRS) is an important technique in biomedical research and it has the unique capability to give a non-invasive access to the biochemical content (metabolites) of scanned organs. In the literature, the…

Computer Vision and Pattern Recognition · Computer Science 2018-06-20 Nima Hatami , Michaël Sdika , Hélène Ratiney

Detecting and quantifying products of cellular metabolism using Mass Spectrometry (MS) has already shown great promise in many biological and biomedical applications. The biggest challenge in metabolomics is annotation, where measured…

Machine Learning · Computer Science 2020-10-12 Hao Zhu , Liping Liu , Soha Hassoun

Traditional Indian (Ayurvedic) and Chinese herbal medicines have been used in the treatment of a variety of diseases for thousands of years because of their natural origin and lesser side effects. However, the safety and efficacy data…

Biomolecules · Quantitative Biology 2016-02-09 Dinesh Kumar , Atul Rawat , Durgesh Dubey , Umesh Kumar , Amit K Keshari , Sudipta Saha , Anupam Guleria

In vivo H nuclear magnetic resonance (NMR) spectroscopy is an important tool for performing non-invasive quantitative assessments of brain tumour glucose metabolism. Brain tumours are considered fast-growth tumours because of their high…

Biological Physics · Physics 2010-10-15 Alejandro Chinea Manrique de Lara

Spectrograms visualize the frequency components of a given signal which may be an audio signal or even a time-series signal. Audio signals have higher sampling rate and high variability of frequency with time. Spectrograms can capture such…

Signal Processing · Electrical Eng. & Systems 2021-09-06 Sidharth Srivatsav Sribhashyam , Md Sirajus Salekin , Dmitry Goldgof , Ghada Zamzmi , Mark Last , Yu Sun

Magnetic Resonance Fingerprinting (MRF) is an emerging technology with the potential to revolutionize radiology and medical diagnostics. In comparison to traditional magnetic resonance imaging (MRI), MRF enables the rapid, simultaneous,…

A new experimental technique for investigating characteristics of plasma generated with plasmotrons in electrophysical installations was proposed. The technique involves a simultaneous registration of both radiation spectra and images of…

Plasma Physics · Physics 2007-05-23 V. Yu. Khomich , I. I. Kumkova , Yu. A. Zheleznov

Spectro-microscopy is an experimental technique which can be used to observe spatial variations in chemical state and changes in chemical state over time or under experimental conditions. As a result it has broad applications across areas…

Medical Physics · Physics 2026-02-05 Maike Meier , Lorenzo Lazzarino , Boris Shustin , Hussam Al Daas , Paul Quinn

Nuclear Magnetic Resonance (NMR) spectroscopy leverages nuclear magnetization to probe molecules' chemical environment, structure, and dynamics, with applications spanning from pharmaceuticals to the petroleum industry. Despite its utility,…

Image and Video Processing · Electrical Eng. & Systems 2025-10-14 Sen Yan , Fabrizio Gabellieri , Etienne Goffinet , Filippo Castiglione , Thomas Launey

During the last decade, a large number of different numerical methods have been proposed to tackle the automatic identification and quantification in {\gamma}-ray spectrometry. However, the lack of common benchmarks, including datasets,…

Machine Learning · Computer Science 2025-08-13 Dinh Triem Phan , Jérôme Bobin , Cheick Thiam , Christophe Bobin

Magnetic resonance spectroscopic imaging is a widely available imaging modality that can non-invasively provide a metabolic profile of the tissue of interest, yet is challenging to integrate clinically. One major reason is the expensive,…

Computer Vision and Pattern Recognition · Computer Science 2024-09-11 John LaMaster , Dhritiman Das , Florian Kofler , Jason Crane , Yan Li , Tobias Lasser , Bjoern H Menze

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…

Methodology · Statistics 2012-05-16 William Astle , Maria De Iorio , Sylvia Richardson , David Stephens , Timothy Ebbels

Spectroscopic techniques are essential tools for determining the structure of molecules. Different spectroscopic techniques, such as Nuclear magnetic resonance (NMR), Infrared spectroscopy, and Mass Spectrometry, provide insight into the…

Chemical Physics · Physics 2024-10-30 Marvin Alberts , Oliver Schilter , Federico Zipoli , Nina Hartrampf , Teodoro Laino

Low radio frequency spectral index measurements are a powerful tool to distinguish between different emission mechanisms and, in turn, to understand the nature of the sources. Besides the standard method of estimating the ``broadband"…

Instrumentation and Methods for Astrophysics · Physics 2024-05-30 Md Rashid , Nirupam Roy , J. D. Pandian , Prasun Dutta , R. Dokara , S. Vig , K. M. Menten

Mass spectrometry, especially so-called tandem mass spectrometry, is commonly used to assess the chemical diversity of samples. The resulting mass fragmentation spectra are representations of molecules of which the structure may have not…

Machine Learning · Computer Science 2025-02-18 Niek de Jonge , Justin J. J. van der Hooft , Daniel Probst

Given a mixed hyperspectral data set, linear unmixing aims at estimating the reference spectral signatures composing the data - referred to as endmembers - their abundance fractions and their number. In practice, the identified endmembers…

Methodology · Statistics 2016-01-20 Pierre-Antoine Thouvenin , Nicolas Dobigeon , Jean-Yves Tourneret

Nuclear Magnetic Resonance (NMR) spectroscopy is fundamental for molecular structure elucidation, yet interpreting spectra at scale remains time-consuming and highly expertise-dependent. While recent spectrum-as-language modeling and…

Nuclear magnetic resonance (NMR) spectroscopy provides detailed information pertaining to dynamic processes through line-shape changes, which have been traditionally limited to equilibrium conditions. However, there is a wealth of…

Spectral methods have emerged as a simple yet surprisingly effective approach for extracting information from massive, noisy and incomplete data. In a nutshell, spectral methods refer to a collection of algorithms built upon the eigenvalues…

Machine Learning · Statistics 2021-10-26 Yuxin Chen , Yuejie Chi , Jianqing Fan , Cong Ma
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