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: Wine discrimination: Chemometric distinction

The analysis of gas chromatography and quadrupole mass spectrometry data obtained after solid-phase extraction of wine samples can be carried out by using partial least squares discriminant analysis. The approach can successfully discriminate between wines based on geographical origin as well as wine type and vintage and has proven itself with wine from the Azores, the Canary Islands and Madeira.

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Webinar
Now available on-demand

Quality in the Laboratory

Quality is of extreme importance for labs. However, it is often seen as the responsibility of the quality manager and its importance and impact on your own work is not always well understood. In this webinar, Peter Kootstra will reinforce how quality can improve your performance and your work satisfaction.

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Advertorial Feature

Compound Search

thumbnail image: <font size=3 color=black><b>Compound Search</b></font>

Two seconds here could save you months in the lab by using Wiley's Compound Search tool. Check the database coverage now... it's free!         We understand that you don't have time to wade through thousands of results. Compound Search's sole purpose is to tell you whether a compound appears in a specific database so that you'll know whether that database meets your needs. To speed this up, we provide exact structure matches only. Compound Search enables users to perform...

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Ezines

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This review provides a snapshot of the tools and applications that are available for mass spectrometric high-throughput biocomputation, beginning with a brief introduction of proteomics and MS and presenting computational tools that can be employed at various stages of analysis.

Corkage: Infrared clues

David Bradley

Nov 15, 2014

thumbnail image: Corkage Infrared clues

Researchers in Spain have demonstrated how infrared spectroscopy can be used to enhance the control of parameters that determine the performance of a wine cork in the bottle.

Chemometrics has been applied to compare two versions of a biotech process and identify process steps where significant differences exist as well as the parameters that cause these differences.

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Education

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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.

This free chapter from "Chemometrics: From Basics to Wavelet Transform" discusses the principles of chemometrics and how it can help the busy analytical chemist.

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Events

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Future Events

Pittcon 2015

Mar 8, 2015

McCormick Place, Chicago, IL, United States

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Pittcon 2015, the world’s largest annual conference and exposition for laboratory science, March 8-12 2015, New Orleans, LA. Pittcon offers the latest innovations from exhibitors from around the world, unique networking opportunities with world renowned scientists, and exceptional educational opportunities.

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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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Blog

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Human or animal blood?

Steve Down

Nov 13, 2014

A simple non-destructive optical method has been developed to distinguish between human and nonhuman blood primarily for customs purposes.

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Videos

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Pittcon 2014 Editors' Gold Award – Texas Instruments

Date: Mar 10, 2014

Eileen Skelly Frame talks with this year's Pittcon Editors' Award Gold winners, Texas Instruments, about their DLP NIR scan technology.

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