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: Heavy metal from cars: Statistical analyses of spectra

Multivariate statistical techniques, principal component analysis (PCA), and hierarchical cluster analysis have been used to process data on metal pollutants in a densely populated city based on atomic absorption spectra.

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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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Dipsacus apser, or Japanese teasel, is commonly used in Chinese herbal medicine, often after rinsing with wine and then boiling with water. Researchers from Nanjing University of Chinese Medicine compared the differences between the composition of the raw herb and wine-processed material, using UHPLC-MS/MS and the chemometric methods PCA, HCA and PLS-DA.

Partial least squares and artificial neural network models have been presented for inferring protease and amylase activities from UV–vis spectra of samples removed during solid-state fermentation using Rhizopus microsporus var. oligosporus.

A new quantitative method of analysing the biodiesel in a diesel-biodiesel blend using proton nuclear magnetic resonance (NMR) 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.

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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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