Data Analytics, Statistics, Chemometrics, and Artificial Intelligence

October 22nd 2025

A sweeping review, “Surface-Enhanced Raman Spectroscopy: A Half-Century Historical Perspective” traces the evolution of SERS from its foundational experiments in the 1970s through the nanoscience era and modern high-spatial-resolution techniques.

October 21st 2025

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.

October 20th 2025

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.

October 15th 2025

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