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Journal Highlight: ToF-SIMS data analysis for complex plant tissue samples using multivariate analysis and G-SIMS

Date: Dec 15, 2014

Author: spectroscopyNOW

Sections of Wasabi petioles were evaluated with ToF-SIMS to clarify the distribution of sinigrin molecules, a combination of multivariate analysis and G-SIMS working effectively to interpret the complex data.

Read More thumbnail image: Journal Highlight ToF-SIMS data analysis for complex plant tissue samples using multivariate analysis and G-SIMS

Water, water everywhere: Comet not the source

Date: Dec 15, 2014

Author: David Bradley

An analysis of the deuterium to hydrogen ratio of water sampled by the Rosetta Orbiter Spectrometer for Ion and Neutral Analysis shows that the water vapour from comet 67P is very different from the water we find on Earth suggesting that comets were perhaps not the water bearers for our planet that some theories have suggested.

Read More thumbnail image: Water water everywhere Comet not the source

Journal Highlight: Overview of software options for processing, analysis and interpretation of mass spectrometric proteomic data

Date: Nov 17, 2014

Author: spectroscopyNOW

This review provides a snapshot of the tools and applications that are available for mass spectrometric high-throughput biocomputation, beginning with a brief introduction of proteomics and MS and presenting computational tools that can be employed at various stages of analysis.

Read More thumbnail image: Journal Highlight Overview of software options for processing analysis and interpretation of mass spectrometric proteomic data

Corkage: Infrared clues

Date: Nov 15, 2014

Author: David Bradley

Researchers in Spain have demonstrated how infrared spectroscopy can be used to enhance the control of parameters that determine the performance of a wine cork in the bottle.

Read More thumbnail image: Corkage Infrared clues

Journal Highlight: Chemometrics application in biotech processes: assessing comparability across processes and scales

Date: Oct 20, 2014

Author: spectroscopyNOW

Chemometrics has been applied to compare two versions of a biotech process and identify process steps where significant differences exist as well as the parameters that cause these differences.

Read More thumbnail image: Journal Highlight Chemometrics application in biotech processes assessing comparability across processes and scales

To dye for: No more

Date: Oct 15, 2014

Author: David Bradley

A combination of an iteratively cubic spline fitting baseline correction method with discriminant partial least-squares qualitative analysis can be used to pluck evidence of banned additives from food samples analysed with surface-enhanced Raman spectroscopy (SERS), quickly revealing the presence of compounds such as Sudan I dye, Rhodamine B and Malachite green.

Read More thumbnail image: To dye for No more

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
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