Chemometrics & Informatics / Ezine
Lead-free gun crime
Date: Apr 15, 2008
Author: David Bradley
US scientists have developed a highly dependable, fast and inexpensive method for identifying gunshot residues at crime scenes. Analysis of gas chromatography data coupled with results from a nitrogen phosphorus detector are used to identify trace quantities.
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Visualization of quality parameters for classification of spectra in shooting crimes
Date: Mar 25, 2008
Author:
X-ray emission spectra from gunshot residues are evaluated in order to assign them to a certain ammunition brand. Classification is based on regularized discriminant analysis providing class information as well as additional parameters for judging the quality of an assignment.
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Wild thing
Date: Mar 15, 2008
Author: David Bradley
Portuguese scientists have applied multivariate analysis to the gas chromatographs of volatiles from various edible wild mushrooms to build up a correlation pattern between flavour and components. Their work might be used in quality assessment or in biotechnology to engineer new species with particular flavours that might be cultivated commercially.
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Error removal by orthogonal subtraction (EROS): a customised pre-treatment for spectroscopic data
Date: Feb 18, 2008
Author:
In some applications of diffuse reflectance spectroscopy there may be substantial variability between the spectra from replicate measurements of what is nominally the same sample. An application to the clinical diagnosis of colon lesions is presented, in which pre-treatment of spectra using the proposed method is successful in reducing the complexity and increasing both the accuracy and interpretability of the subsequent classification model.
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Musical molecules
Date: Feb 15, 2008
Author: David Bradley
What do Schroedinger's equation and Schoenberg's expressionism have in common? Not a lot you might think. However, researchers in Germany and the US have now modelled the hydrogen molecule, the archetypal subject of molecular modelling, using a theory of behaviour that emerges from music.
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New exploratory clustering tool
Date: Jan 24, 2008
Author:
This paper describes a clustering method on three-way arrays making use of an exploratory visualization approach. The aim of this study is to cluster samples in the object mode of a three-way array, which is done using the scores (sample loadings) of a three-way factor model, for example, a Tucker3 or a PARAFAC model.
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Finding the full monte
Date: Jan 15, 2008
Author: David Bradley
High-performance liquid chromatography (HPLC) and mass spectrometry provides the raw data for analysing the fingerprints of commercial fruit juice and checking for product adulteration.
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Reduced-order model for monitoring spectroscopic and chromatographic polymer properties
Date: Dec 20, 2007
Author:
A reduced-order mechanistic polymerization model and its application in the design of a low-dimension multi-rate state estimator for monitoring spectroscopic and chromatographic polymer properties are presented in this paper recently published in the Journal of Chemometrics.
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Not so dire straits
Date: Dec 15, 2007
Author: David Bradley
An international team of geneticists and anthropologists has used bioinformatics to disentangle genetic evidence for the so-called land-bridge theory of how people first reached the Americas. The work may settle the debate over whether the Bering Strait were the gateway to the Americas.
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Optimising production cost and end-product quality when raw material quality is varying
Date: Nov 15, 2007
Author:
This paper deals with the optimisation of production processes in a situation where the raw material varies. The objective is to minimise production costs for a given raw material quality, with restrictions on the end-product quality.
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