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: Lending support to graphene: By design

Researchers have developed a set of criteria that could allow materials scientists to find suitable substrate materials for graphene in a targeted way. X-ray and photoelectron spectroscopic studies lend support.

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2015 Free Sample Issues of Key Analytical Science Journals

The 2015 free sample issues of all our Analytical Chemistry journals are now available!

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Advertorial Feature

Compound Search

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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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Vehicles generate about 28 percent of carbon dioxide emissions from fossil fuels in the USA, a proportion that is rising in many urban areas. Now, researchers have created DARTE (Database of Road Transportation Emissions), a new US wide data inventory to allow more detailed emission studies to be carried out in the context of climate change and other pollution effects.

Shrunken centroids regularized discriminant analysis has been applied to the exploration of a metabolomics dataset in the search for biomarkers.

Slimming capsule samples with illegally added substances were analyzed by electronic nose and flash GC and the data were analysed by PCA and LDA using a data fusion strategy to integrate the data into a single model.

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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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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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Graphene oxide structure affects mass spectra of small molecules

Steve Down

Apr 25, 2015

The laser desorption/ionisation mass spectra of small molecules like amino acids and sugars are influenced by the type of graphene oxide used as the substrate.

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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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