Near Infrared (NIR) Spectroscopy

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Unsolved Problems in Spectroscopy - Part 1

Inter-instrument variability is a major obstacle in multivariate spectroscopic analysis, affecting the reliability and portability of calibration models. This tutorial addresses the theoretical and practical challenges of model transfer across instruments. It covers spectral variability sources—such as wavelength shifts, resolution differences, and line shape variations—and presents key standardization techniques including direct standardization (DS), piecewise direct standardization (PDS), and external parameter orthogonalization (EPO). We discuss the underlying mathematics of these approaches using matrix notation and highlight limitations that must be considered for reliable universal calibration.

Scientists Use Water and Light to Uncover Honey Adulteration ©  KWY-chronicles-stock.adobe.com

In a 2025 study, Indian researchers demonstrated that combining near-infrared (NIR) spectroscopy with aquaphotomics enables rapid, non-destructive detection of adulterants in honey by analyzing changes in water’s spectral behavior. Using chemometric models, they accurately identified and quantified six common adulterants, offering a powerful tool for food authenticity and quality control.

A bowl of River Snail Rice Noodles with a rich red broth, a few green vegetables, and several black mussels on top. Generated with AI. | Image Credit: © Moose - stock.adobe.com

Researchers at China Agricultural University developed a rapid and accurate spectroscopic method using NIR and FT-IR combined with PLS regression to measure protein content in rice noodles, enhancing quality control for the popular river snail rice noodle (luosifen) industry.

Unsolved Problems in Spectroscopy - Part 2

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.

Golden sign outside the United States Department of Government Efficiency (DOGE) © stockyme -chronicles-stock.adobe.com

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.

Unsolved Problems in Spectroscopy - Part 1

This tutorial examines the modeling of diffuse reflectance (DR) in complex particulate samples, such as powders and granular solids. Traditional theoretical frameworks like empirical absorbance, Kubelka-Munk, radiative transfer theory (RTT), and the Hapke model are presented in standard and matrix notation where applicable. Their advantages and limitations are highlighted, particularly for heterogeneous particle size distributions and real-world variations in the optical properties of particulate samples. Hybrid and emerging computational strategies, including Monte Carlo methods, full-wave numerical solvers, and machine learning (ML) models, are evaluated for their potential to produce more generalizable prediction models.