This tutorial examines the development of universal spectral libraries, reviewing standardization efforts, mathematical frameworks, and practical examples across multiple spectroscopies, while emphasizing metadata harmonization, FAIR principles, and the emerging role of AI in building interoperable, machine-readable repositories. This remains an unsolved problem in spectroscopy.
This tutorial explores the challenges posed by nonlinearities in spectroscopic calibration models, including physical origins, detection strategies, and correction approaches. Linear regression methods such as partial least squares (PLS) dominate chemometrics, but real-world data often violate linear assumptions due to Beer–Lambert law deviations, scattering, and instrumental artifacts. We examine extensions beyond linearity, including polynomial regression, kernel partial least squares (K-PLS), Gaussian process regression (GPR), and artificial neural networks (ANNs). Equations are provided in full matrix notation for clarity. Practical applications across near-infrared (NIR), mid-infrared (MIR), Raman, and atomic spectroscopies are discussed, and future research directions are outlined with emphasis on hybrid models that integrate physical and statistical knowledge.
This tutorial explores the motivation, mathematical underpinnings, and practical approaches to fusing spectral data, with emphasis on early, intermediate, and late fusion strategies.
This Icons of Spectroscopy article profiles Lester W. Strock, whose innovative research in crystal chemistry and spectroscopy bridged fundamental science and applied geochemistry.
This tutorial addresses the critical issue of analyte specificity in multivariate spectroscopy using the concept of Net Analyte Signal (NAS). NAS allows chemometricians to isolate the portion of the signal that is unique to the analyte of interest, thereby enhancing model interpretability and robustness in the presence of interfering species. While this tutorial introduces the foundational concepts for beginners, it also includes selected advanced topics to bridge toward expert-level applications and future research. The tutorial covers the mathematical foundation of NAS, its application in regression models like partial least squares (PLS), and emerging methods to optimize specificity and variable selection. Applications in pharmaceuticals, clinical diagnostics, and industrial process control are also discussed.
Researchers at China’s National Key Laboratory have identified 170 nickel autoionization states using resonance ionization mass spectrometry, significantly advancing the spectral database critical for laser isotope separation and atomic spectroscopy.
Researchers from Nanjing University of Information Science & Technology have introduced a breakthrough AI-enhanced multimodal strategy for real-time detection of polyamide microplastics contaminated with heavy metals.
DOGE-related federal funding cuts have sharply reduced salaries, lab budgets, and graduate support in academia. Researchers view the politically driven shifts in priorities as part of recurring systemic issues in U.S. science funding during administrative transitions. The impact on Federal laboratories has varied, with some seeing immediate effects and others experiencing more gradual effects. In general, there is rising uncertainty over future appropriations. Sustainable recovery may require structural reforms, leaner administration, and stronger industry-academia collaboration. New commentary underscores similar challenges, noting scaled-back graduate admissions, spending freezes, and a pervasive sense of overwhelming stress among faculty, students, and staff. This article addresses these issues for the analytical chemistry community.
Tue, Jul 15, 2025 1:00 PM EDT
This study used three distinct sample preparation techniques to examine the metal content of geological rocks.
Webinar Date/Time: Wednesday, July 23rd, 2025 Morning Session: 11:00 am EDT - 1:00 pm EDT Afternoon Session: 2:00 pm EDT - 3:00 pm EDT Thursday, July 24th, 2025 Morning Session: 11:00 am EDT - 1:00 pm EDT Afternoon Session: 2:00 pm EDT - 3:00 pm EDT
Wednesday, June 25, 2025 at 11 am PST | 2 pm EST
Explore the evolution of atomic spectroscopy and its impact on science writing, highlighting key publications and industry advancements over the decades.
Webinar Date/Time: Wednesday, June 4, 2025 at 11:00 AM EST
Webinar Date/Time: Wednesday, June 11, 2025 at 8am PDT | 11am EDT | 4pm BST | 5pm CEST
In this final part of our conversation with Harrington and Seibert, they discuss the main challenges that they encountered in their study and how we can improve elemental impurity analysis in pharmaceutical quality control.
In Part II of our conversation with James Harrington of RTI International in Research Triangle Park, North Carolina, who was the lead author of this study, as well as coauthor Donna Seibert of Kalamazoo, Michigan, they talk about the reproducibility for Hg and V, as well as the ICP-MS and XRF results compare to one another.
Webinar Date/Time: Tue, Jun 10, 2025 11:00 AM EDT
Spectroscopy sat down with James Harrington of Research Triangle Institute (RTI International) in Research Triangle Park, North Carolina, who was the lead author of this study, as well as coauthor Donna Seibert of Kalamazoo, Michigan. In Part I of our conversation with Harrington and Seibert, they discuss the impact of ICH Q3D and United States Pharmacopeia (USP) <232>/<233> guidelines on elemental impurity analysis and how they designed their study.
A new dual-spectroscopy approach reveals real-time pollution threats in indoor workspaces. Chinese researchers have pioneered the use of laser-induced breakdown spectroscopy (LIBS) and aerosol mass spectrometry to uncover and monitor harmful heavy metal and dust emissions from soldering and welding in real-time. These complementary tools offer a fast, accurate means to evaluate air quality threats in industrial and indoor environments—where people spend most of their time.
A recent study conducted by researchers from the Korea Institute of Fusion Energy and Jeonbuk National University presented a novel technique for analyzing lithium isotopes in liquid samples.
A new study in Icarus by Fabian Seel and colleagues at the German Aerospace Center (DLR) reveals how atmospheric conditions significantly impact LIBS plasma behavior.
This month’s column investigates the elemental composition of electrolytes in lithium-ion batteries (LIBs) using inductively coupled plasma–mass spectrometry (ICP-MS).
A research team from China has developed a portable LIBS device integrated with machine learning to achieve improved accuracy in rapid, in situ rock classification for geological exploration and petroleum logging.
“Atomic Perspectives,” provides tutorials and updates on new analytical atomic spectroscopy techniques in a broad range of applications, including environmental analysis, food and beverage analysis, and space exploration, to name a few. Here, we present a compilation of some of the most popular columns.
