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Journal Highlight: Exploring bacterial phenotypic diversity using factorial design and FTIR multivariate fingerprinting

Date: Sep 15, 2014

Author: spectroscopyNOW

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.

Read More thumbnail image: Journal Highlight Exploring bacterial phenotypic diversity using factorial design and FTIR multivariate fingerprinting

Wine discrimination: Chemometric distinction

Date: Sep 15, 2014

Author: David Bradley

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.

Read More thumbnail image: Wine discrimination Chemometric distinction

Journal Highlight: Iterative k-t principal component analysis with nonrigid motion correction for dynamic three-dimensional cardiac perfusion imaging

Date: Aug 18, 2014

Author: spectroscopyNOW

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.

Read More thumbnail image: Journal Highlight Iterative k-t principal component analysis with nonrigid motion correction for dynamic three-dimensional cardiac perfusion imaging

It's only natural: Metabolomics plugin

Date: Aug 15, 2014

Author: David Bradley

In metabolomics experiments, spectral fingerprints of metabolites with no known structural identity are detected routinely. Researchers in the UK have now taken a cheminformatics approach to this problem that lets them measure how similar these unknowns are to known natural product molecules so that they can add this factor to a better ranking of the correct structures in the results list for screening and further investigation.

Read More thumbnail image: Its only natural Metabolomics plugin

Pregnancy and phthalates: Inconclusive conclusions

Date: Jul 15, 2014

Author: David Bradley

Multivariate regression analysis has been used to investigate associations between reported food and drink consumption among 656 women in the first trimester of pregnancy and measures of urinary phthalate metabolite concentrations based on data from a multicentre cohort study, The Infant Development and Environment Study (TIDES). The conclusions, as is common with self-reported data, are mixed and new research is suggested.

Read More thumbnail image: Pregnancy and phthalates Inconclusive conclusions

Journal Highlight: Calibration using constrained smoothing with applications to mass spectrometry data

Date: Jul 14, 2014

Author: spectroscopyNOW

A functional data approach has been applied to define the calibration curve and the limits of quantitation from mass spectrometric data, drawing on existing smoothing methods.

Read More thumbnail image: Journal Highlight Calibration using constrained smoothing with applications to mass spectrometry data

Journal Highlight: A chemometrics toolbox based on projections and latent variables

Date: Jun 16, 2014

Author: spectroscopyNOW

A personal view is given about the gradual development of projection methods — also called bilinear, latent variable, and more — and their use in chemometrics.

Read More thumbnail image: Journal Highlight A chemometrics toolbox based on projections and latent variables

Wireless: The next generation

Date: Jun 15, 2014

Author: David Bradley

The University of Bristol's Communication Systems and Networks research group has partnered with Bristol start-up Blu Wireless Technology (BWT) to develop the next generation of wireless technology, so-called 5G, which will use the millimetre wave radio range, 30 to 300 gigahertz (GHz).

Read More thumbnail image: Wireless The next generation

Recent Perspectives and Reviews from the Journal of Chemometrics

Date: Jun 3, 2014

Author:

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.

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Journal Highlight: Characterization of oil complex hydrocarbon mixtures by HSQC-NMR spectroscopy and PCA

Date: May 19, 2014

Author: spectroscopyNOW

The degree of changes in complex mixtures from crude oil and from oil residues in soils was determined by using heteronuclear single quantum coherence–nuclear magnetic resonance (HSQC-NMR) spectroscopy.

Read More thumbnail image: Journal Highlight Characterization of oil complex hydrocarbon mixtures by HSQC-NMR spectroscopy and PCA
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