Chemometrics & Informatics / Ezine
Sewage compost raises a stink
Date: Nov 15, 2007
Author: David Bradley
Multivariate analysis of near infrared reflectance spectroscopy (NIRS) spectra of sewage sludges and green wastes can be used to monitor the composting process, say researchers in France. Their findings could improve the quality sewage-derived compost for agricultural use.
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Sticky blood test
Date: Oct 15, 2007
Author: David Bradley
A non-invasive test for a widespread autoimmune blood disorder could be on the horizon thanks to researchers working with visible-near-infrared spectroscopy. The approach could lead to earlier effective treatment for those at risk of thrombosis and pregnant women who have suffered recurrent miscarriage.
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Sequential design of mixture experiments for the development of new products
Date: Oct 11, 2007
Author:
This paper presents a new sequential approach to mixture design of experiments (DOE) that simultaneously selects new materials and ratios in which to combine them with the objective of achieving a set of specified final product properties. The sequential DOE methodology is demonstrated on an industrial polymer blending problem.
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A new holistic exploratory approach to Systems Biology by Near Infrared Spectroscopy evaluated by chemometrics and data inspection
Date: Sep 17, 2007
Author:
This paper aims at demonstrating how data mining of NIR by chemometric data analysis and new data inspection software is able to contribute to a modified view in mathematical modelling of data from the different levels of biological organisation relevant to molecular biology and in Systems Biology.
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A mighty neat target for diabetes drugs
Date: Sep 15, 2007
Author: David Bradley
A multidisciplinary team led by researchers in Israel and the US have used X-ray crystallography to build on their bioinformatics studies to reveal a unique intertwined protein structure, which could be a novel target for more effective diabetes drugs with fewer side effects.
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Chaos theory in chemistry and chemometrics: a review
Date: Aug 20, 2007
Author:
The purpose of this paper is to review the main body of work that has been pursued in both experimental chemistry research and related data analysis development with respect to chaos theory and derivative ideas.
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Hair and teeth betray master timekeeper
Date: Aug 15, 2007
Author: David Bradley
Spectral analysis of stable isotope ratios in readily available tissues such as hair and tooth enamel can help monitor the effects of neuroprotective drugs or even track neurodegenerative disease, according to research published in PLoS. The same approach can also be used to analyse archaeological specimens and provide new insights into the physiology of ancient people and animals.
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Estimating the number of pure chemical components in a mixture by maximum likelihood
Date: Jul 19, 2007
Author:
This paper addresses the problem of determining the number of pure chemical components in a mixture by applying the maximum likelihood estimator of intrinsic dimension.
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Hot or not?
Date: Jul 15, 2007
Author: David Bradley
cheminformatics analysis of UV spectra can reveal just how much heat is locked within a red hot chilli peppers. The approach may assist the food preparation industry and researchers hoping to exploit the medicinal properties of capsaicinoids.
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Bringing a warm glow to spectroscopy
Date: Jun 15, 2007
Author: David Bradley
Fluorescence spectroscopy just got better, thanks to the development of two new calibration tools by scientists at the National Institute of Standards and Technology (NIST). Their fluorescent glass standard reference materials (SRMs) can help correct and validate the performance of fluorescence-based analytical instruments.
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