Chemometrics & Informatics / Ezine
Judging a book by its odour
Date: Nov 15, 2009
Author: David Bradley
Material degradomics borrows the informatics ethic from molecular biology and biochemistry and applies it to historical artefacts, in particular old books. Degradomics could allow conservationists to profile the complete gamut of volatile organic compounds released by artefacts and so tailor their efforts to improving stability or halting damage.
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Application of two-dimensional near-infrared (2D-NIR) correlation spectroscopy to the discrimination of three species of Dendrobium
Date: Oct 20, 2009
Author:
The objective of this paper was to apply two-dimensional (2D) near-infrared (NIR) correlation spectroscopy to the discrimination of three species of Dendrobium. The 2D synchronous and asynchronous spectra showed remarkable differences within the range of 5600-4750 cm-1 between different species of Dendrobium.
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Sweetening breast cancer risk
Date: Oct 15, 2009
Author: David Bradley
Experimental and epidemiological evidence previously suggested that circulating glucose and insulin may play a role in the emergence of breast cancer. Now a statistical analysis of baseline plasma levels of these compounds shows that elevated serum levels may indeed be a risk factor in postmenopausal women.
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A bright future for Multivariate Analysis Applications in Surface Science
Date: Sep 22, 2009
Author:
Taken from the recent Multivariate Analysis special issue of the journal, Surface and Interface Analysis, published in August 2009.
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A breather for lung cancer suspects
Date: Sep 15, 2009
Author: David Bradley
Researchers in Israel have used cheminformatics methods to "train" an array of gold-nanoparticle sensors to rapidly distinguish between the out breath of lung cancer patients and that of healthy individuals.
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Smoke under fire
Date: Aug 14, 2009
Author: David Bradley
Smoking marijuana is no less harmful than smoking tobacco, according to a Canadian study of the toxic effects on cells. The conclusion was drawn from an examination of the cytotoxicity, mutagenicity and clastogenicity of mainstream and sidestream marijuana smoke as compared to tobacco smoke.
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Richard A. Harshman (1943-2008), a man of ideas
Date: Aug 14, 2009
Author:
Taken from the Special Issue of the Journal of Chemometrics which is dedicated to Professor Richard A. Harshman who died early last year.
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Application of two-dimensional near-infrared (2D-NIR) correlation spectroscopy to the discrimination of three species of Dendrobium
Date: Jul 23, 2009
Author:
Generalized 2D-NIR correlation spectroscopy was able to enhance spectral resolution, simplify the spectrum with overlapped bands and provide information about temperature-induced spectral intensity variations that was hard to obtain from one-dimensional NIR spectroscopy. The FT-NIR spectra were measured over a temperature range of 30-140°C. The 2D synchronous and asynchronous spectra showed remarkable differences within the range of 5600-4750 cm-1 between different species of Dendrobium.
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Exhausted grapes fit for compost
Date: Jul 15, 2009
Author: David Bradley
Multivariate analysis of the physico-chemical, chemical and biological parameters of winery and distillery composts could point the way to improving the use of these generally intractable waste materials.
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Data exploration on standard asphalt mix analyses
Date: Jun 16, 2009
Author:
The purpose of this study was the evaluation of the most important factors that affect the volumetric and conventional mechanical properties of asphalt. To select the most important factors, several multiple linear regression (MLR) models, partial least squares (PLS) regression models and counterpropagation neural network models were made. Among 21 variables there is only one found as less important. The best models will be employed for the preparation of the asphalt mix design with some unknown material.
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