Chemometrics & Informatics / Ezine
Journal Highlight: Core consistency diagnostic in PARAFAC2
Date: Jun 17, 2013
Author: spectroscopyNOW
The possibility of applying the core consistency diagnostic which is currently applied in PARAFAC1 to determine model complexity in PARAFAC2 has been investigated theoretically.
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Quasi on the inside: Rare earth crystals
Date: Jun 15, 2013
Author: David Bradley
Scientists at the Ames Laboratory in the USA have used an algorithm to fish for new rare-earth quasicrystals and have pulled out a new family of binary magnetic icosahedral quasicrystals containing several different rare earth elements and cadmium. The findings demonstrate that such materials have spin glass behaviour rather than magnetic behaviour.
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Acoustic archaeology: A sound approach
Date: May 15, 2013
Author: David Bradley
Researchers in the UK have carried out the most detailed analysis ever of the archaeological remains of the lost medieval town of Dunwich on England's Suffolk coast. The study analysed data obtained via acoustic spectroscopy to see the ruins through the murky depths of the North Sea.
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Journal Highlight: An evaluation of standardized software for processing GC/MS data from different vendors' instruments in a forensic laboratory
Date: May 13, 2013
Author: spectroscopyNOW
The data processing performance of a third-party processing software product has been compared with the software from three instrument vendors in casework analysis in a forensic environment.
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Journal Highlight: Assessment of resin formulations and determination of the formaldehyde to urea molar ratio by near- and mid-infrared spectroscopy and multivariate data analysis
Date: Apr 15, 2013
Author: spectroscopyNOW
The molar ratios of formaldehyde to urea in resin formulations have been analyzed by ATR-FTIR and FT-NIR spectroscopy, using PCA to separate them according to molar ratios and to distinguish between two groups of resins, and SIMCA to classify new resin samples.
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The Mayan blues: Unravelling a mystery
Date: Apr 15, 2013
Author: David Bradley
A team of chemists in Spain has used kinetic analysis of cyclic voltammetry, infrared and ultraviolet spectroscopic data to re-affirm their 2006 hypothesis regarding how ancient artists got the Maya blues.
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Vendor Column: Advantages of a Scalable Chromatography Data System
Date: Apr 10, 2013
Author: Chris Stumpf
In this second article in the latest series, Waters Corporation's Chris Stumpf continues the discussion regarding chromatography data systems with respect to its rationlization and scalability within a corporation.
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Journal Highlight: Detection of low-quality extra virgin olive oils by fatty acid alkyl esters evaluation: a preliminary and fast mid-IR spectroscopy discrimination by a chemometric approach
Date: Mar 18, 2013
Author: spectroscopyNOW
FT mid-IR spectroscopy with partial least squares analysis was used to predict the contents of fatty acid methyl and ethyl esters in extra virgin olive oils, allowing low-quality products to be identified.
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Meat test: Llama burger, anyone?
Date: Mar 15, 2013
Author: David Bradley
Partial least-squares regression of data from visible and near infrared reflectance spectroscopy (VIS-NIRS) can be used to quickly discriminate between beef, horse and llama meat in processed food products.
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Journal Highlight: Ultraviolet/visible/near-infrared spectral analysis and chemometric tools for the discrimination of wines between subzones inside a controlled designation of origin: a case study of Rías Baixas
Date: Feb 18, 2013
Author: spectroscopyNOW
Chemometrics combined with ultraviolet, visible and near-infrared spectral analysis were evaluated to classify wines belonging to the controlled designation of origin (DO) Rías Baixas (Spain).
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