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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So-called ‘herbal’ slimming aids are often adulterated with banned slimming drugs or other chemicals, to increase their effectiveness. Researchers at the Scientific Institute of Public Health in Brussels and the University of Antwerp examined several different samples of such products by UHPLC, classifying them using various chemometric methods, such as hierarchical cluster analysis (HCA), Classification and Regression Tree (CART), and partial least squares discriminant analysis (PLS-DA).

Multi-spectral imaging at 405–970 nm coupled with back-propagation neural networks has been used successfully for the detection of dicyandiamde in infant formula powder.

Arsenic and liver: Chicken feed analysis

David Bradley

May 15, 2017

thumbnail image: Arsenic and liver Chicken feed analysis

An analysis of mass spectrometric data reveals the existence of three toxicologically important methylated phenylarsenical metabolites in chicken liver from fowl given feed containing the additive 3-nitro-4-hydroxyphenylarsonic acid (ROX). The additive was banned in the European Union in 1999 and in the USA in 2013, but still widely used elsewhere.

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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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