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

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.

Read More thumbnail image: <font color=red>Webinar<br/>Now available on-demand</font><br/>Quality in the Laboratory

Last Month's Most Accessed Feature: Recent Perspectives and Reviews from the Journal of Chemometrics

Over the course of the last year, the the Journal of Chemometrics has published a series of perspective and review papers as well as a new regular column which includes a review of the origins of chemometrics and a back-to-basics primer.

Read More thumbnail image: Last Month's Most Accessed Feature: Recent Perspectives and Reviews from the <I>Journal of Chemometrics</I>

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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Bacterial phenotypic diversity of cultures of Staphylococcus aureus grown under variable sets of environmental conditions was characterized by FTIR spectroscopy, using different spectral preprocessing methods in combination with scaling methods in principal component analysis.

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.

An iterative k-t principal component analysis algorithm with nonrigid frame-to-frame motion correction has been proposed for dynamic contrast-enhanced three-dimensional perfusion imaging.

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Education

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Data analysis is a vital part of science today, and in assessing quality, multivariate analysis is often necessary in order to avoid loss of essential information.

The emphasis of this book is on understanding the principles and applications behind the main ideas in chemometrics, which can then be applied to a wide variety of problems in chemistry, chemical engineering and allied disciplines.

Factor analysis is a mathematical tool for examining a wide range of data sets, with applications especially important to the design of experiments (DOE), spectroscopy, chromatography, and chemometrics. In this free chapter from "Factor Analysis in Chemistry" Edmund Malinowski introduces the technique, declaring that "every problem has a solution"!

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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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Comet landing site chosen for Rosetta lander

Steve Down

Sep 15, 2014

The primary site for the Philae, the Rosetta lander, on the Comet 67P/Churyumov–Gerasimenko has been chosen from five candidates by ESA scientists and engineers.

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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.

thumbnail image: Pittcon 2014 Editors' Gold Award – Texas Instruments
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