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: Tree metabolite identification combats beetle devastation

The emerald ash borer is an invasive beetle that is currently destroying vast numbers of ash trees in North America. Scientists from Trent University, Peterborough and RB Consulting (both Ontario, Canada) used LC-MS to compare the metabolites from ash trees attacked by the insect with those from unaffected trees, thus providing a convenient method of early detection.

Read More thumbnail image: Last Month's Most Accessed Feature: Tree metabolite identification combats beetle devastation

2018 Free Sample Issues of Key Analytical Science Journals

The 2018 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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Ezines

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The capabilities and versatility of chemometric methods have been discussed in light of the big (bio)chemical data challenges that are being encountered in chromatographic, spectroscopic and hyperspectral imaging measurements, with an emphasis on their application to omics sciences.

A new avenue for fighting antibiotic resistance in deadly bacteria may well have been opened up through cheminformatics, thanks to a proof-of-concept study by researchers in the USA.

Thermal Gradient Separation optimised by simulation

Ryan De Vooght-Johnson

Apr 1, 2018

thumbnail image: Thermal Gradient Separation optimised by simulation

High-temperature thermal gradient interaction chromatography (HT-TGIC) is a method that involves putting copolymers through heated columns in order to determine their chemical composition distribution (CCD), i.e. the ratio of the different monomer units. Scientists from Bangkok and Canada used mathematical modelling to examine the effect of having multiple adsorption/desorption stages during HT-TGIC elution, so-called multiple high-temperature thermal gradient interaction chromatography (m-HT-TGIC).

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Education

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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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Journals

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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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