Chemometrics & Informatics / Ezine
Remote arsenic assessment
Date: Jul 15, 2008
Author: David Bradley
An informatics approach to surface data could allow geologists and environmental scientists to identify regions of the world where people are at risk of exposure to arsenic in their drinking water without the need for widespread sampling to be undertaken.
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Generalization of multivariate optical computations as a method for improving the speed and precision of spectroscopic analyses
Date: Jun 18, 2008
Author:
Multivariate optical computations offer improved analytical precision and increased speed of analysis via synchronous data collection and numerical computation with scanning spectroscopic systems.
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Alcohol blamed for oral cancer risk
Date: Jun 15, 2008
Author: David Bradley
A large-scale statistical analysis of mouth and throat cancer incidence over a long period of time has looked at possible correlations between exposure to industrial chemicals, dust and alcoholic beverages in a wide variety of individuals in different occupations across Finland. The perhaps surprising conclusion drawn is that alcohol consumption rather than industrial chemicals or dusts is the critical factor associated with this form of cancer.
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Is there a future for chemometrics? Are we still needed?
Date: May 21, 2008
Author:
As with all disciplines, chemometrics is changing and evolving as it should. But now that most of the pioneers of chemometrics have retired or passed away and all the original goals of chemometrics have been reached and surpassed this seems like a good time for us to think about the future of chemometrics.
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Recycling CD drives for speedier diagnostics
Date: May 15, 2008
Author: David Bradley
Finite-element analysis has allowed researchers in Singapore to make good time with their experiments on a clockwork PCR (polymerase chain reaction) for carrying out biomedical research.
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Three-way data analysis of a wheat growing experiment using near infrared spectral data
Date: Apr 24, 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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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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