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Ezines

Inevitable Nobel: In theory

David Bradley

Oct 15, 2013

The 2013 Nobel Prize for chemistry was awarded jointly to Martin Karplus of the University of Strasbourg, France and Harvard University, Cambridge, Massachusetts, Michael Levitt of Stanford University School of Medicine, Stanford and Arieh Warshel of the University of Southern California, Los Angeles, California, USA for the development of multiscale models for complex chemical systems.

Journal Highlight: Near-IR spectroscopy and partial least squares-class modeling for metabolomics fingerprinting discrimination of intervention breakfasts ingested by obese individuals

spectroscopyNOW

Oct 14, 2013

Near-IR spectroscopy has been used in nutritional metabolomics to assess the intake of intervention breakfasts prepared with deep-fried vegetable oils and the resulting urinary patterns were analysed by partial least squares-class modelling.

Journal Highlight: Quantitative analysis of tea using ytterbium-based internal standard near-infrared spectroscopy coupled with boosting least-squares support vector regression

spectroscopyNOW

Sep 16, 2013

Ytterbium-based internal standard NIR spectroscopy coupled with multivariate calibration was used for the for quantitative analysis of tea, including total free amino acids and total polyphenols.

Education

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.

Key concepts in factor analysis

Jun 3, 2013

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"!

Events

Journals

Journal of Chemometrics

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.

Webinars

Books

Hyperspectral Data Processing: Algorithm Design and Analysis

Chein-I Chang

Mar 22, 2013

Computational and Statistical Methods for Protein Quantification by Mass Spectrometry

Ingvar Eidhammer, Harald Barsnes, Geir Egil Eide, Lennart Martens

Jan 28, 2013

Advances in Statistical Monitoring of Complex Multivariate Processes: With Applications in Industrial Process Control

Uwe Kruger, Lei Xie

Sep 14, 2012

News

Mars does have water

Sep 27, 2013

Holy Flying Spectrometers, Batman!

Sep 17, 2013

Spectroscopy Solutions 2014

Sep 10, 2013