Data Analytics, Statistics, Chemometrics, and Artificial Intelligence

August 25th 2025

This tutorial contrasts classical analytical error propagation with modern Bayesian and resampling approaches, including bootstrapping and jackknifing. Uncertainty estimation in multivariate calibration remains an unsolved problem in spectroscopy, as traditional, Bayesian, and resampling approaches yield differing error bars for chemometric models like PLS and PCR, highlighting the need for deeper theoretical and practical solutions.

August 21st 2025

Researchers from Brazil have developed an improved method combining infrared and Raman spectroscopic techniques to better identify and characterize microplastics. This integrated approach enhances accuracy in distinguishing various polymer types and provides refined spectral analysis crucial for environmental studies.

August 21st 2025

A recent study demonstrated that UV–visible (UV-vis) spectroscopy combined with machine learning (ML) can provide a fast, cost-effective, and automated method for detecting biological contamination in microalgae cultures.

August 21st 2025

Raman spectroscopy, combined with computational modeling and machine learning, shows strong potential for distinguishing PFAS compounds, offering a promising new framework for environmental monitoring and contamination analysis.