Chemometrics & Informatics / Ezine
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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Toxic shock
Date: Jun 15, 2009
Author: David Bradley
A correlation between the different factors affecting the toxicity of wastes hazardous to the aquatic environment can be derived from a novel battery of bioassays using multivariate analysis, primarily Principal Component Analysis, according to a new study.
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Rank annihilation factor analysis for multicomponent kinetic-spectrophotometric determination using difference spectra
Date: May 20, 2009
Author:
In this work a theoretical formulation of difference spectra for kinetic-spectrophotometric two-way data of parallel complexation reactions is presented.
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Clinical looking glass
Date: May 15, 2009
Author: David Bradley
Clinical research studies into drug efficacy and side effects have often been laborious and time consuming, new software that analyses "anonymised" patient electronic medical records could reduce investigation times from months to minutes.
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State-dependent correlations of biochemical variables in plants
Date: Apr 21, 2009
Author:
Distributions of biochemical variables in plant foliage are mainly similar to normal distributions. In this paper, the authors show that the distinction of plant physiological and/or stress states from each other can be more effective by using the correlation of biochemical variables for their characterizations than by separately statistical comparisons of means of the variables.
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ET's aminos
Date: Apr 15, 2009
Author: David Bradley
One of biology's unanswered questions involves the evolution of the genetic code and the fact it uses just 20 natural amino acids as its building blocks for making proteins. A mathematical analysis of biochemistry by researchers in Canada suggests a possible answer that could have profound implications for our search for life on other planets.
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A fully robust PARAFAC method for analyzing fluorescence data
Date: Mar 24, 2009
Author:
Parallel factor analysis (PARAFAC) is a widespread method for modeling fluorescence data by means of an alternating least squares procedure. Consequently, the PARAFAC estimates are highly influenced by outlying excitation-emission landscapes and element-wise outliers, like for example Raman and Rayleigh scatter. In this paper, the authors present an iterative algorithm where the robust PARAFAC method and the scatter identification tool are alternately performed.
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