Infrared (IR) Spectroscopy

ABB announced that they will develop a lunar soil analysis instrument for Canada's Lunar Utility Rover, enhancing lunar exploration and resource utilization through advanced infrared spectroscopy.

A recent study from researchers in Indonesia and Taiwan demonstrates that tourism intensity on Gili Trawangan Island is strongly linked to higher microplastic contamination in coastal waters, sediments, and fish, highlighting the need for targeted waste management and sustainable tourism policies to protect vulnerable island ecosystems.

In this part of our ongoing review of the infrared spectra of carbonyl-containing functional groups, we will study the spectra of esters and carbonates. Esters are ubiquitous in our food and medicines, and polymeric carbonates form an important part of the materials around us. As always, concepts will be illustrated with reference spectra.

In 2025, the vibrational-spectroscopy community saw a convergence of deep learning, advanced simulation, and portable instrumentation that materially changed how spectra are interpreted and applied. Breakthroughs in spectrum-to-structure models, machine learning (ML)-accelerated molecular dynamics, and field-deployable classic Raman, near-infrared (NIR), and surface-enhanced Raman spectroscopy (SERS) sensors pushed vibrational techniques from complex laboratory characterization toward automated structure elucidation, rapid analysis, and real-world sample sensing (1–6,9). This summary article highlights key 2025 contributions and their implications for the year of discovery.

Vibrational spectroscopy is undergoing a major transformation driven by advances in new AI and machine learning, portable instrumentation, nanofabrication, hyperspectral imaging, and robust chemometrics. These developments are enabling more sensitive measurements, field-deployable analysis, multimodal data fusion, and automated spectral interpretation suitable for real-world industrial and clinical use. As these technologies converge, the field is positioned for a renaissance that may redefine how spectroscopy is practiced by 2030.

This review article highlights how a new review by Da-Wen Sun demonstrates that integrating spectroscopy with chemometric techniques can significantly improve cold chain food quality monitoring, authentication, and overall system efficiency.

A new review by researchers from the University of Waterloo, Sanofi, and McGill University highlights how vibrational and fluorescence spectroscopy are reshaping real-time monitoring of pharmaceutical bioprocesses. The authors detail recent advances in UV-Vis, NIR-MIR, Raman, and fluorescence sensing, supported by modern chemometrics and AI tools.

This mini-tutorial explores how data preprocessing (DP) transforms raw FT-IR ATR spectra into meaningful, reliable inputs for chemometric modeling. Readers will learn about key DP methods: normalization, scatter correction, centering, scaling, and baseline correction, and how proper selection of these techniques improves accuracy, reproducibility, and interpretability in infrared spectroscopic analysis.

Fourier transform infrared (FT-IR) spectroscopy is a versatile, non-destructive analytical tool used to characterize molecular structures, monitor chemical reactions, and quantify analytes in diverse materials. This mini-tutorial reviews fundamental principles, key operational modes, and practical examples across environmental, biomedical, and industrial applications. Readers will review and learn how to optimize FT-IR methods, interpret spectra, and avoid common pitfalls in data collection and processing.

In this continuation of our discussion with Sergei Kazarian and Bernadette Byrne, they address how recent advancements in FT-IR imaging are set to propel the biomedical and pharmaceutical industries forward.

Webinar Date/Time: Tue, Dec 9, 2025 10:00 AM EST

A recent study explores how Fourier transform infrared (FT-IR) spectroscopy can be used to predict key dough-making characteristics.

Spectroscopy sat down with Sergei Kazarian and Bernadette Byrne to talk about their latest research collaboration, which offers insights into why FT-IR spectroscopic imaging is advantageous in biomedical and pharmaceutical analysis.

The miniaturization of spectroscopic instruments has reached a remarkable milestone: wearable vibrational spectroscopy. Techniques such as Raman, surface-enhanced Raman scattering (SERS), infrared (IR), and functional near-infrared (fNIRS) spectroscopy are no longer confined to the laboratory bench—they now fit on our bodies, into household devices, and onto industrial equipment. These wearable devices promise continuous, real-time monitoring, offering molecular-level insights for personal health, household management, clinical care, and industrial applications.

This second part of the Recent Research in Chemometrics and AI for Spectroscopy article surveys current and emerging applications of artificial intelligence (AI) in spectroscopy, highlighting explainable AI (XAI), deep learning, and generative AI frameworks.

This first article in a two-part series introduces the foundations and terminology of AI as applied to chemometrics, defines key algorithmic approaches, and explores their growing role in spectral data analysis, model quantitative calibration, classification, and interpretability.

Researchers uncover the hidden dangers of ship paint-derived microplastics, revealing their complex composition and ecological risks in marine environments.

Here are ten main unsolved problems in vibrational and atomic spectroscopy, each accompanied by a tutorial-style synopsis suitable for advanced practitioners or graduate-level students. Each of these tutorials, spanning advanced spectroscopy modeling, chemometrics, machine learning (ML) interpretability, and standardization, consists of a descriptive article. Each piece is well-referenced (with detailed matrix equations, radiative transfer models, chemometric derivations, and so forth), and includes the following. • Special focus on each topic—including mathematical derivations in matrix notation. • Conservative, verifiable content anchored to established reference sources. • Appropriate tutorial article structure: Title, Summary, Abstract, Introduction, Theory with equations, Examples, Discussion & Future Research, and References.

A new study reveals that resveratrol binds to peanut protein arachin through hydrophobic and hydrogen-bond interactions, enhancing protein stability and offering valuable insights for developing functional peanut-based food products.

This curated collection of recent Spectroscopy magazine mini-tutorials highlights the latest analytical and data-driven innovations in vibrational spectroscopy. Covering NIR, Raman, O-PTIR, and related optical methods, the series emphasizes practical workflows, emerging machine learning integrations, and advanced chemometric techniques for real-world laboratory applications—from food and environmental monitoring to biomedical analysis and nanoscale imaging.

A new perspective from researchers at the Karlsruhe Institute of Technology explores the evolving relationship between human expertise and artificial intelligence in polymer chemistry.

Scientists have developed IR-Bot, an autonomous robotic platform that combines infrared spectroscopy, machine learning, and quantum chemistry to perform real-time analysis of chemical mixtures. The system promises to transform autonomous experimentation by delivering rapid, accurate feedback to guide chemical reactions without human oversight.

This tutorial explains how baseline drift and multiplicative scatter distort spectroscopic data, reviews correction techniques such as MSC, SNV, EMSC, wavelet-based detrending, and AsLS baseline estimation with matrix-based derivations, and explores emerging data-driven scatter modeling strategies and future research directions.

A recent review by Jhonatan Contreras and Thomas Bocklitz from Friedrich Schiller University Jena and the Leibniz Institute of Photonic Technology delves into the emerging field of explainable artificial intelligence (XAI) in spectroscopy.

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.