Chemometrics in Spectroscopy ? Linearity in Calibration: Quantifying Nonlinearity, Part II (PDF)
At this point in our series dealing with linearity, we have determined that the data under investigation do indeed show a statistically significant amount of nonlinearity, and we have developed a way of characterizing that nonlinearity. Our task now is to come up with a way to quantify the amount of nonlinearity, independent of the scale of either variable, and even independent of the data itself.
Machine Learning Accelerates Clinical Progress of SERS Technology
May 22nd 2025A new review in TrAC Trends in Analytical Chemistry by Alfred Chin Yen Tay and Liang Wang highlights how machine learning (ML) is transforming surface-enhanced Raman spectroscopy (SERS) into a powerful, clinically viable tool for rapid and accurate medical diagnostics.
New Deep Learning AI Tool Decodes Minerals with Raman Spectroscopy
May 21st 2025Researchers have developed a powerful deep learning model that automates the identification of minerals using Raman spectroscopy, offering faster, more accurate results even in complex geological samples. By integrating attention mechanisms and explainable AI tools, the system boosts trust and performance in field-based mineral analysis.
Whey Protein Fraud: How Portable NIR Spectroscopy and AI Can Combat This Issue
May 20th 2025Researchers from Tsinghua and Hainan Universities have developed a portable, non-destructive method using NIR spectroscopy, hyperspectral imaging, and machine learning to accurately assess the quality and detect adulteration in whey protein supplements.
AI and Infrared Light Team Up to Advance Soil Carbon Monitoring
May 19th 2025A team of international researchers has developed a faster, more accurate method to analyze soil carbon fractions using mid-infrared spectroscopy and deep learning. Their approach preserves the chemical balance of soil organic carbon components, paving the way for improved climate models and sustainable land management.
Analyzing the Protein Secondary Structure in Tissue Specimens
May 19th 2025In the first part of this three-part interview, Ayanjeet Ghosh of the University of Alabama and Rohit Bhargava of the University of Illinois Urbana-Champaign discuss their interest in using discrete frequency infrared (IR) imaging to analyze protein secondary structures.
Exploring Data Transforms in Chemometrics
May 14th 2025Our “Chemometrics in Spectroscopy” column highlights the methodology that is used in order to apply chemometric methods to data. Integrating chemometrics with spectroscopy allows scientists to understand solutions to their problems when they encounter surprising results. Recently, columnists Howard Mark and Jerome Workman, Jr., wrote a series of articles about data transforms in chemometric calibrations. In this listicle, we profile all pieces in this series and invite you to learn more about applying chemometric models to continuous spectral data.
