Near Infrared (NIR) Spectroscopy

In this brief Q&A interview, Christina Ryder, who is a postdoctoral researcher at Texas A&M University and the lead author of this study, discusses her team’s findings.

Over the past two years, molecular spectroscopy has undergone a marked transformation from a predominantly laboratory-based analytical approach into a field-deployable, data-rich forensic toolkit. This evolution has been driven by three converging trends: (i) advances in vibrational spectroscopic instrumentation (Fourier transform infrared [FT-IR], Raman, and near-infrared [NIR], (ii) the integration of chemometrics and machine learning for extracting actionable information from complex spectra, and (iii) the emergence of portable and miniaturized devices suitable for in situ analysis. The ten papers reviewed here collectively demonstrate how spectroscopy is now addressing some of the most persistent challenges in forensic science—such as time since deposition (TSD), post-mortem interval (PMI), trace evidence discrimination, and rapid drug identification—while maintaining evidentiary integrity through non-destructive analysis. Importantly, these works also reflect a shift toward interpretability, validation, and legal defensibility, which are essential for courtroom acceptance.

This article is derived from an invited talk given at the Pittcon Conference and Expo in San Antonio, Texas on Monday, March 9, exploring how generative artificial intelligence may transform the daily practice of analytical chemistry. It was presented in The James L. Waters Symposium.

The Pittcon (Pittsburgh) Conference and Expo in San Antonio featured a forward-looking symposium exploring how generative artificial intelligence (AI) may transform the daily practice of analytical chemistry. The James L. Waters Symposium, “Generative AI in the Analytical Chemist’s Toolbox for Chemical Measurements”, took place on Monday, March 9, 2026 (2:30–4:40 p.m.) in Room 221A. The session was presided over by Daniel W. Armstrong of The University of Texas at Arlington, who introduced the topic by emphasizing the rapidly expanding knowledge base required of modern analytical chemists. In addition to chemistry, today’s analytical scientist must command elements of physics, advanced mathematics, data science, and, increasingly, AI. The symposium focused on the practical integration of generative AI tools into chemical measurement science. Speakers discussed how AI can assist analytical chemists with tasks such as algorithm generation, signal processing, literature synthesis, and data interpretation. Importantly, the session emphasized responsible implementation, highlighting the need for rigorous validation, high-quality data sets, and integration into existing laboratory workflows.

At the Pittcon Conference and Expo in Saan Antonio, Texas, on Monday, March 9, 2026 (8:30–11:00 AM, Room 304C), the session “Spectroscopy and Sustainability: A Perfect Match” explored how modern spectroscopic technologies are helping laboratories and industries operate more efficiently while reducing environmental impact. Chaired by John Wasylyk and sponsored by the Society for Applied Spectroscopy, the session brought together 6 presentations covering applications from pharmaceutical process monitoring and biomedical diagnostics to chemical manufacturing, defense, and remote sensing. Throughout the morning, a consistent theme emerged: spectroscopy’s speed, nondestructive nature, and rich chemical information make it inherently aligned with the goals of sustainability.

In this overview, we explore how spectroscopy is advancing the agriculture industry.

Between 2024 and 2026, environmental applications of vibrational spectroscopy advanced rapidly through innovations in multimodal instrumentation (combining 2 or more distinct measurement techniques), spectral data fusion, portable sensing technologies, and the integration of chemometrics and machine learning (ML). Near-infrared (NIR), Fourier transform infrared (FTIR), and Raman spectroscopy were increasingly deployed to address pressing environmental challenges such as microplastics contamination, soil organic matter quantification, indoor air quality monitoring, and pesticide residue detection in food and ecological systems. This article reviews 10 influential peer-reviewed papers published during this period, providing expanded narrative discussions of their technical contributions and explaining why each paper represents a significant impact on the field.

Artificial intelligence and machine learning are rapidly reshaping how analytical data are modeled, interpreted, and deployed, but the conceptual foundation is already familiar to practitioners of chemometrics. Latent variables, calibration models, variance–bias tradeoffs, and multivariate optimization did not originate with neural networks; they have been central to spectroscopic data analysis for decades. This expanded glossary provides a rigorous, side-by-side translation between modern artificial intelligence (AI) terminology and established chemometric concepts. This glossary is intended to demystify AI terminology, while preserving statistical clarity. It is designed to help analytical scientists, spectroscopists, and chemometricians engage with modern data-driven methods without abandoning physical interpretability or statistical discipline.

A recent study demonstrates that updated predictive models based on NIR spectra can outperform traditional nitrogen-based prescreening methods in identifying samples suitable for radiocarbon dating.

From a chemometric standpoint, artificial intelligence (AI) in spectroscopy is best understood as an extension of established multivariate methods rather than as a replacement. Most AI approaches closely parallel familiar tools such as regression, classification, and principal component analysis, but offer greater flexibility to handle nonlinear behavior, interacting physical and chemical effects, and large, heterogeneous datasets. By learning directly from raw spectra, AI methods can reduce reliance on manual preprocessing while still indicating which spectral regions influence predictions. In this sense, AI represents a developmental layer of chemometrics that enables classical concepts to operate effectively in modern spectroscopic systems. Overall, AI is best viewed as the next developmental layer of chemometrics, not as a competing discipline. As with all current AI programs, domain knowledge of analytical chemistry is essential for AI’s effective application. Knowing the boundaries of what is plausible in any chemical or modeling system allows fine-tuning of the models towards useful and reliable analytical results.

HÜBNER Photonics has announced the launch of the C-WAVE BTS, which is a continuous-wave (CW), single-frequency titanium:sapphire laser.

At Pittcon, generative artificial intelligence will be presented at the James L Waters Symposium on Monday, March 9, 2:30 PM to 4:40 PM in Room 221A. Generative artificial intelligence has transitioned from a conceptual novelty to a practical approach for innovation in spectroscopic data analysis. During 2025, a small set of highly influential publications crystallized this transformation by demonstrating how generative models can synthesize realistic spectra, solve inverse spectral problems, accelerate materials discovery, and automate molecular structural elucidation. This article reviews six pivotal contributions published in 2025 that collectively define the state of generative artificial intelligence in spectroscopy. These works establish theoretical foundations, survey emerging methods, introduce physics-informed generative architectures, and demonstrate transformative applications across vibrational, electronic, and magnetic resonance spectroscopies.

Top articles published this week include a look at the top 10 applications of near-infrared (NIR) spectroscopy in biopharmaceutical analysis, an interview about the current trends in spectroscopy, and an inside look at handheld X-ray fluorescence (XRF) instrumentation.

During 2025, near-infrared (NIR) spectroscopy has accelerated its transition from a mature analytical technique into a digitally enabled cornerstone of biopharmaceutical manufacturing and quality control. Advances in miniaturized instrumentation, process analytical technology (PAT), chemometrics, artificial intelligence (AI), and real-time process control technologies have driven NIR spectroscopy into new roles spanning upstream fermentation, downstream processing, raw material characterization, and continuous manufacturing. This article reviews and contextualizes ten influential peer-reviewed publications from 2025 that collectively define the current state and near-term trajectory of NIR spectroscopy in biopharmaceutical analysis.

Over the past two years, near infrared spectroscopy (NIRS) and related NIR techniques have seen rapid adoption in biomedical research. These developments span non invasive diagnostics, functional monitoring, machine learning integration, point of care probes, and applications in complex clinical settings such as liver fibrosis, viral detection, neonatal care, brain injury, and neurodegenerative disorders. This article synthesizes 10 key publications, highlighting trends, methodologies, and clinical potential.

A recent study shows that handheld near-infrared (NIR) spectroscopy combined with artificial neural networks can rapidly and non-destructively distinguish human from animal bones with high accuracy, offering a practical new tool for on-site forensic investigations.

For Pittcon 2026, the James L. Waters Symposium, scheduled for Monday, March 9, from 2:30 to 4:40 p.m. in Room 221A, turns its focus on Generative artificial intelligence (AI) systems in analytical chemistry, which are increasingly being used for analytical data interpretation, algorithm development, experimental planning, and scientific communication. This article introduces the general concepts of generative AI and its use in spectroscopy.

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 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.

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.

A recent study demonstrates that near-infrared (NIR) spectroscopy is a fast, cost-effective, and reliable tool for assessing soil and tree ecological traits, offering major potential for large-scale forest conservation and monitoring.

A new perspective article by Anna de Juan and Rodrigo Rocha de Oliveira highlights how hyperspectral imaging (HSI), paired with advanced chemometrics, is redefining process analytical technology (PAT) by coupling chemical specificity with full-field spatial resolution. Their work outlines how HSI surpasses classical spectroscopic PAT tools and enables quantitative, qualitative, and mechanistic insight into chemical processes in real time.

A research team has developed the first short synthetic peptide-based biosensor for real-time tracking of the disease-related protease matrix metalloproteinase-9 (MMP-9), using multi-parametric surface plasmon resonance spectroscopy (MP-SPR).