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: Biomarkers of breast cancer

The success of cancer treatment hinges on the stage at which the disease is detected, making biomarkers that flag up early signs of the disease an important goal for cancer research. Now a group of scientists from the Czech Republic has found a new set of biomarkers for breast cancer based on the levels of lipids expressed by cancer cells.

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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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A weighted-covariance factor fuzzy C-means clustering method combined with bootstrapping has been proposed for analysing the mid-IR and near-IR spectra of small samples of biomass.

Catching makers of crystal meth by chemometrics

Ryan De Vooght-Johnson

Mar 15, 2017

thumbnail image: Catching makers of crystal meth by chemometrics

Identifying impurities in the illegal drug N-methylamphetamine, a.k.a. methamphetamine or crystal meth, can help law enforcement agencies detect the likely source and the synthetic route used. Scientists from the Chemistry and Chemical Engineering Research Centre of Iran used chemometric methods to detect trace impurities hidden under the large main peak in pure samples of seized methamphetamine.

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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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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The Flipped Classroom: How to Prepare and Teach a Flipped Classroom

Date: Mar 30, 2017 - 15:00

This webinar will present the concept and rationale for using a flipped classroom to teach analytical chemistry at university level. Along with presenting methods for how to create the flipped classroom, strategies on how to conduct the class time, and engage the students will be discussed.

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Understanding Wine Chemistry

Andrew L. Waterhouse, Gavin L. Sacks, David W. Jeffery

Aug 12, 2016

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Introduction to Statistical Analysis of Laboratory Data

Alfred Bartolucci, Karan P. Singh, Sejong Bae

Jan 5, 2016

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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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