Infrared (IR) Spectroscopy

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2025 Technology Trends in Artificial Intelligence for Spectroscopy © nuddss -chronicles-stock.adobe.com

Artificial intelligence is transforming vibrational spectroscopy by automating calibration, feature extraction, and interpretation across Raman, infrared, near-infrared (NIR), and hyperspectral imaging (HSI) systems. This review of articles highlighted in Spectroscopy during 2025 captures several major developments, spanning data fusion, spectral imaging, and industrial and biomedical applications.

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.

2025 was a turning point for vibrational spectroscopy © somchai20162516

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.

Spectrum displaying absorption peaks at specific frequencies © Bos Amico  -chronicles-stock.adobe.com

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.

Mini-Tutorial: Cleaning Up the Spectrum Using Preprocessing Strategies for FT-IR ATR Analysis. © SITTAKAN -chronicles-stock.adobe.com

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.

Spectroscopy mini-tutorial: FT-IR principles, practice, and applications © Premium Resource -chronicles-stock.adobe.com

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.

Futuristic health tech. A smartwatch projects a holographic health dashboard. Holographic icon user interface. © woravut -chronicles-stock.adobe.com

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.

Unsolved Problems in Spectroscopy Series © MJHLIfeSciences

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.

Tutorial Articles in Spectroscopy © Daniel -chronicles-stock.adobe.com

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.