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: Biodiesel analysis: Biofuel blend by NMR spectroscopy

A new quantitative method of analysing the biodiesel in a diesel-biodiesel blend using proton nuclear magnetic resonance spectroscopy has been developed by researchers in Brazil. The resulting spectra are subjected to a univariate calibration in which the integrals of the spectra are considered. Statistical comparison with infrared (IR) spectra corroborate the findings.

Read More thumbnail image: Last Month's Most Accessed Feature: Biodiesel analysis: Biofuel blend by NMR spectroscopy

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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From heartbreak to happiness with in-house MS database

Ryan De Vooght-Johnson

Jun 15, 2017

thumbnail image: From heartbreak to happiness with in-house MS database

Gelsemium elegans is a toxic plant of interest for its possible medical uses. Scientists from Hunan Agricultural University in China used a combination of LC-MS/MS and an in-house database of the accurate masses of previously detected Gelsemium compounds to tentatively identify a wide range of the many components in a crude extract from the plant.

Researchers from Aarhus University in Denmark and the Institute of Science and Technology in Austria have developed a new technique for aligning molecules using lasers and ultracold droplets of helium so they can precisely measure alignment.

A novel diagnosis method for distinguishing Alzheimer disease, mild cognitive impairment and healthy states used kernel PCA followed by LDA and a a multi-kernel SVM for training and testing for detection.

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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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Waters Empower Cloud

Date: Mar 8, 2017

Thomas Tucker from Waters Corporation discusses Empower Cloud, a cloud deployable, compliance ready enterprise Chromatography Data Software (CDS).

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