Chemometrics & Informatics @ spectroscopyNOW

This channel covers research and development into all aspects of chemometric and informatic techniques used in chemical data analysis, including quality control and batch monitoring as well as experimental design and signal processing using PCA, MVA, PARAFAC, PLS, and LIMS.

Monthly Highlight

Last Month's Most Accessed Feature: Viagra cheats exposed by TLC

Health supplements in some countries are frequently adulterated with PDE5 inhibitors, such as sildenafil (Viagra) or unapproved analogues. Researchers from Tianjin University of Science and Technology in China used a combination of TLC and Raman spectroscopy for the rapid identification of these pharmaceutical products in supplement samples.

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2017 Free Sample Issues of Key Analytical Science Journals

The 2017 free sample issues of all our Analytical Chemistry journals are now available!

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Advertorial Feature

Wiley Spectra Lab:
The World's Largest Spectral Database

thumbnail image: <font size=3>Wiley Spectra Lab:</font><br/>The World's Largest Spectral Database

Wiley Spectra Lab is an expert spectral data system that uses empirical spectral data and advanced software to help chemists, toxicologists, and life scientists confidently identify chemical substances. Powered by the KnowItAll® analytical platform by Bio-Rad, Wiley Spectra Lab provides researchers with access to 2.2 million MS, NMR, and IR spectra – the broadest and largest collection in the world.

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The Δ9-tetrahydrocannabinol, cannabidiol and cannabinol contents of concentrated hemp powdered nut products were determined by LC/MS using hierarchical clustering analysis and principal component analysis.

Weighing up ways of working out log P

Ryan De Vooght-Johnson

Jul 15, 2017

thumbnail image: Weighing up ways of working out log P

Lipophilicity is a key parameter affecting the activity of potential drug molecules, but there are many methods to calculate it. Scientists from the University of Belgrade examined various techniques for calculating the lipophilicity of a number of benzothiepino[3,2-c]pyridine derivatives, which were potential antifungal drugs.

Simple landfills in developing countries represent a threat to soil and groundwater through toxic leachate. Soil column experiments to simulate pollution have been assessed using PARAFAC modelling of three-dimensional excitation-emission fluorescence to evaluate the specific risks.

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Selected key technologies of the analytical science industry are discussed by Steve Down with reference to burgeoning application areas and the scope for future improvements.

We are proud to announce a new series of educational webinars run in collaboration with Chromedia, COAST, and SciMind, a product of the American Chemical Society. These webinars will build into a must-have set of tutorial materials for the analytical scientist.

This glossary of chemometrics terms is provided with the permission of Bryan Prazen of the Synovec Group, Department of Chemistry, University of Washington.

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High quality, peer-reviewed original research, reviews and short communications in the fundamental and applied aspects of chemometrics ensure that this international journal is the journal of choice for chemists, statisticians and mathematicians working with chemical data.

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