23 papers · ranked by Valyu relevance
Yanfan Zhu, Marilyn M. Lionts, Ezekiel J. Haugen, Alec B. Walter + 10 more
Raman spectroscopy offers a uniquely rich window into molecular structure and composition, making it a powerful tool across fields ranging from materials science to biology. However, the reproducibility of Raman data analysis remains a fundamental bottleneck. In practice, transforming raw spectra into meaningful…
Chunsheng Yan
Title: Summary Spectroscopic techniques are indispensable for material characterization, yet their weak signals remain highly prone to interference from environmental noise, instrumental artifacts, sample impurities, scattering effects, and radiation-based distortions (e.g., fluorescence and cosmic rays). These…
Valeria Tafintseva, Tiril Aurora Lintvedt, Johanne Heitmann Solheim, Boris Zimmermann + 13 more
'Boris Zimmermann' 'Hafeez Ur Rehman' 'Vesa Virtanen' 'Rubina Shaikh' 'Ervin Nippolainen' 'Isaac Afara' 'Simo Saarakkala' 'Lassi Rieppo' 'Patrick Krebs' 'Polina Fomina' 'Boris Mizaikoff' 'Achim Kohler' 'Michele De Luca' 'Gaetano Ragno'] The aim of the study was to optimize preprocessing of sparse infrared spectral…
Yanfan Zhu, Marilyn M. Lionts, Ezekiel J. Haugen, Alec B. Walter + 10 more
Raman spectroscopy offers a uniquely rich window into molecular structure and composition, making it a powerful tool across fields ranging from materials science to biology. However, the reproducibility of Raman data analysis remains a fundamental bottleneck. In practice, transforming raw spectra into meaningful…
Jiaqi Hu, Gina Jinna Chen, Chenlong Xue, Pei Liang + 17 more
Raman spectroscopy has tremendous potential for material analysis with its molecular fingerprinting capability in many branches of science and technology. It is also an emerging omics technique for metabolic profiling to shape precision medicine. However, precisely attributing vibration peaks coupled with specific…
David Martin-Calle, Cesar Alvarez Llamas, Vincent Motto- Ros, Christophe Dujardin + 2 more
A lightweight and reproducible denoising pipeline for high-throughput Raman spectroscopy is presented. The approach relies on a one-dimensional convolutional autoencoder trained using a Noise2Noise strategy, requiring neither external spectral libraries nor high signal-to-noise reference spectra for training. From a…
Robin Reiter, Denis Cornet, Fabien Michel, Lauriane Rouan + 1 more
Near-infrared spectroscopy is increasingly used as a rapid, non-destructive chemical sensing technology for the analysis of food, pharmaceutical, biological, and environmental samples. However, the practical deployment of NIR sensors still depends on calibration models able to handle high-dimensional, collinear…
Priyanka Kumari, Sampriti Soor, Amba Shetty, Archana M. Nair
Accurate mineral identification on the Martian surface is critical for understanding the planet's geological history. This paper presents a UNet-based autoencoder model for efficient spectral preprocessing of CRISM MTRDR hyperspectral data, addressing the limitations of traditional methods that are computationally…
Ahmed Glili, Sajid Bangash, Matthias König, Daniel Šmít + 6 more
Non-structural carbohydrates (NSCs) are central to plant carbon allocation and physiological regulation, yet their quantification typically relies on destructive biochemical assays that lack spatial resolution. Here, we developed a shortwave infrared (SWIR) hyperspectral imaging workflow for non-destructive estimation…
Shayantan Banerjee, Prajval Nakrani, Aviral Singh, Pramod P. Wangikar
Mass spectrometry-based untargeted metabolomics is a powerful technique for profiling small molecules in biological samples, yet accurate metabolite identification remains challenging. One of the primary obstacles in processing tandem mass spectrometry data is the prevalence of random noise peaks, which can result in…
Г. А. Галазутдинов
The article provides a brief description of the software package DECH for processing and analysis of astronomical spectra. DECH supports all stages of processing and analysis of spectral data, including image preprocessing, spectra extraction (including those with a variable tilted slit), wavelength calibration by a…
Gregory Beurier, Robin Reiter, Camille Noûs, Lauriane Rouan + 1 more
Near-infrared spectroscopy (NIRS) is rapid and non-destructive, but reliable calibration still depends heavily on spectral preprocessing. In routine practice, preprocessing is often selected by large external pipeline searches that are costly, unstable on small calibration sets, and difficult to audit. We introduce…
Sumanasekara, Praveen, Ratnayake, Athulya + 10 more
—Spectral variability significantly impacts the accuracy and convergence of hyperspectral unmixing algorithms. Many methods address complex spectral variability; yet largescale distortions to the scale of the observed pixel signatures due to topography, illumination, and shadowing remain a major challenge. These…
Authors not listed
While Raman spectroscopy offers notable experimental advantages as a probe of complex mixtures, its application in practice often confronts samples that present an overwhelming fluorescence background. Here, we explore the efficacy of two particular Raman spectrometric strategies for quantitative analysis under…
Authors not listed
High-quality data preprocessing is essential for untargeted metabolomics experiments, where increasing dataset scale and complexity demand adaptable, robust, and reproducible software solutions. Modern preprocessing tools must evolve to integrate seamlessly with downstream analysis platforms, ensuring efficient and…
Qin Ming Wei, Tang Rui, Zhou, Ying-hui + 13 more
- 1 School of Information Engineering, Southwest University of Science and Technology, Mianyang 621010, China;qinmingwei@swust.edu.cn - 2 Department of Physics, Lingkungan Budi, University Malaya, 50603, Kuala Lumpur; - 3 National Astronomical Observatories, Chinese Academy of Sciences, Beijing 100012, China…
Çağatay Demirel, Jarrod Gott, Kristoffer Appel, Katharina Lüth + 10 more
Lucid dreaming (LD) is a state of conscious awareness of the current dream state, predominantly associated with REM sleep. Research progress in uncovering the neurobiological basis of LD has been hindered by low sample sizes, diverse EEG setups, and specific artifact issues like saccadic eye movements and signal…
Keisuke Ozawa
Statistically weighted principal component analysis (wPCA) is widely used to reduce the noise of scanning transmission electron microscopy-energy-dispersive X-ray (STEM-EDX) spectroscopy data. It is beneficial to retain the spatial resolution of observation in each step of the analysis, but the direct application of…
G. Belonosov, R. Falach, J.F. Schmidig, M. Aderka + 4 more
Sleep research uses electroencephalography (EEG) to infer brain activity in health and disease. Beyond standard sleep scoring, there is increased interest in advanced EEG analysis that require extensive preprocessing to improve the signal-to-noise ratio, and dedicated analysis algorithms. While many EEG software…
Authors not listed
We present TAPAS (Transient Absorption Processing and Analysis Software), an open-source, Python-based graphical platform that covers the entire transient absorption (TA) workflow, from raw data import and preprocessing to visualization, global and target fitting, and statistical evaluation. Users operate TAPAS through…
Authors not listed
The analysis of metabolic profiles using high resolution mass spectrometry (MS) data gives deep insights into the biological processes. In metabolomics, MS generates a large number of features that represent metabolites. However, identifying specific metabolites from these features can be challenging. One of the major…
Helge Hecht, Wudmir Y. Rojas, Zargham Ahmad, Aleš Křenek + 2 more
There is a lack of experimental electron ionization high-resolution mass spectra available to assist compound identification. The in silico generation of mass spectra by quantum chemistry can aid annotation workflows, in particular to support the identification of compounds that lack experimental reference spectra…
Authors not listed
Purpose: The transmission Fourier-transform infrared (FTIR) spectrum contains complexed signals for molecular structures and intermolecular interactions. Their interrelated signals were attempted to be recognized using the singular value decomposition (SVD) procedure. Methods: Cimetidine (CIM) and indomethacin (INM)…