Chemometrics & Informatics / Ezine
Celebrate 25 Years of Publishing Excellence in Chemometrics with the Journal of Chemometrics
Date: Aug 1, 2012
Author: spectroscopyNOW
Don’t miss this free Special Issue collection of reviews and research articles showcasing the ongoing vibrancy and relevance of chemometrics.
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Journal Highlight: Evaluation of aging behavior of medium density polyethylene in natural environment by principal component analysis
Date: Jul 16, 2012
Author: spectroscopyNOW
A nondimensional expression derived by principal components analysis was used to reveal the comprehensive degradation pattern of medium density polyethylene in natural environments.
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Drilling Mars: Curiosity calculations
Date: Jul 15, 2012
Author: David Bradley
New calculations show how deep into Martian surface rocks soil a probe might need to drill to realistically extract organic molecules due to "life" that have not degraded in the harsh world of Mars. Apparently, signs of life may be mere centimetres deep.
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2012 Kowalski Prize in Chemometrics
Date: Jul 13, 2012
Author:
The Journal of Chemometrics is pleased to announce that the 2012 Kowalski Prize in Chemometrics has been awarded to: T. Næs; O. Tomic; B.-H. Mevik; and H. Martens for their paper "Path modelling by sequential PLS regression”.
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Vendor Column: Using Lean Six Sigma principles to improve Laboratory Execution at the Bench
Date: Jul 9, 2012
Author: Chris Stumpf
Welcome to this fourth in a series of features, in which Waters Corporation's Chris Stumpf focuses on Lab Informatics. Every two months, Chris publishes a new informatics-related article which we hope will build into a worthwhile compendium of informatics material. This month, Chris continuing the discussion on Lean Six Sigma and Laboratory Informatics from his last feature, examining case studies focused on bench-level workflows that were migrated to an electronic laboratory notebook.
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Journal Highlight: Textile colour matching using linear and exponential weighted principal component analysis
Date: Jun 18, 2012
Author: spectroscopyNOW
Linear and exponential weighted principal component analysis techniques based on spectral similarity were employed for the prediction of dye concentration in coloured fabrics.
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Drugs on tap: Ultratrace detection
Date: Jun 15, 2012
Author: David Bradley
Spanish researchers have tested tap drinking water for various drugs, both legal and illicit, in Europe, Japan and South America. Their analysis revealed the presence of caffeine, nicotine, cotinine, cocaine.
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Vendor column: Qualitative models and their application to mining – “How you gonna get any gold if you’re not diggin’?”
Date: Jun 13, 2012
Author: Daniel Shiley
This is the second of a four-part series on chemometric applications for materials analysis. Those of you who have watched the “Gold Rush Alaska” television show on the Discovery Channel might recognize the quote. This is an old attitude, much different than today’s commercial mining companies, which are all very concerned with obtaining information before they begin to dig. The data derived from near-infrared (NIR) analysis often plays an important role in development of this much needed data.
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Breathe easy: A bedside test for sepsis
Date: May 15, 2012
Author: David Bradley
Cheminformatics work on Ion Mobility Spectrometry (IMS) demonstrates that, in an animal model at least, the exhaled breath can be used as an accurate, fast and simple point-of-care tool for the diagnosis and monitoring of sepsis.
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Journal Highlight: Modeling the combustion of high molecular weight fuels by a functional group approach
Date: May 4, 2012
Author:
A novel approach is proposed for the simulation of the combustion of high molecular weight fuels, wherein the fuel surrogate is defined in terms of pseudospecies including the functional groups contained in the actual fuel, illustrated for linear and branched alkanes.
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