Chemometrics & Informatics / Ezine
Read our ezines for:
- Review and analysis articles written by our team of renowned contributors.
- Free access to journal articles on Wiley Online Library, selected by the website editor.
- "Client Column" articles written by experts from spectroscopy and separation science industrial companies.
Inevitable Nobel: In theory
Date: Oct 15, 2013
Author: David Bradley
The 2013 Nobel Prize for chemistry was awarded jointly to Martin Karplus of the University of Strasbourg, France and Harvard University, Cambridge, Massachusetts, Michael Levitt of Stanford University School of Medicine, Stanford and Arieh Warshel of the University of Southern California, Los Angeles, California, USA for the development of multiscale models for complex chemical systems.
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Journal Highlight: Near-IR spectroscopy and partial least squares-class modeling for metabolomics fingerprinting discrimination of intervention breakfasts ingested by obese individuals
Date: Oct 14, 2013
Author: spectroscopyNOW
Near-IR spectroscopy has been used in nutritional metabolomics to assess the intake of intervention breakfasts prepared with deep-fried vegetable oils and the resulting urinary patterns were analysed by partial least squares-class modelling.
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Journal Highlight: Quantitative analysis of tea using ytterbium-based internal standard near-infrared spectroscopy coupled with boosting least-squares support vector regression
Date: Sep 16, 2013
Author: spectroscopyNOW
Ytterbium-based internal standard NIR spectroscopy coupled with multivariate calibration was used for the for quantitative analysis of tea, including total free amino acids and total polyphenols.
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Extracting the urine: Metabolic profile
Date: Sep 15, 2013
Author: David Bradley
A sophisticated research project at the University of Alberta, Canada, brings together nuclear magnetic resonance spectroscopic data, mass spectrometry and liquid chromatography to identify the 3000 or so chemical metabolites that can be present in a sample human urine. The work is the culmination of more than seven years effort and involved a team comprising almost twenty individual scientists. The researchers anticipate that their detailed chemical profile of urine will have considerable implications for...
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Journal Highlight: Phytochemical fingerprints of copaiba oils (Copaifera multijuga Hayne) determined by multivariate analysis
Date: Aug 19, 2013
Author: spectroscopyNOW
Oil samples of Copaifera multijuga Hayne species were characterized by GC-FID and GC/MS and the chromatographic data were processed using hierarchical cluster analysis and principal component analysis to recognize patterns for the chemical composition.
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Greenhouse scrubbers: Predicting adsorptive materials
Date: Aug 15, 2013
Author: David Bradley
Computational simulation and nuclear magnetic resonance (NMR) spectroscopy have been combined by chemists in the USA to help them predict accurately the adsorptive properties of highly porous synthetic materials known as crystalline multivariate-metal organic framework (MTV-MOF).
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Vendor Column: Do I need SDMS and LIMS together?
Date: Aug 13, 2013
Author: Chris Stumpf
In this fourth article in the current series, Waters Corporation's Chris Stumpf looks at the differences between Scientific Data Management Systems and Laboratory Information Management Systems and how they can complement each other.
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Journal Highlight: On the use of biplot analysis for multivariate bibliometric and scientific indicators
Date: Jul 15, 2013
Author: spectroscopyNOW
A visualization methodology known as biplot analysis for representing bibliometric and science and technology indicators is presented and the possibilities of applying it in the research policy area are analysed.
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Fluid findings: Smoke gets in your lungs
Date: Jul 15, 2013
Author: David Bradley
A multivariate analysis of data on the chemical composition of exhaled particles in the breath of smokers and non-smokers reflects another factor in how smoking can be detrimental to lung function by revealing the shift in composition of respiratory tract lining fluid.
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Vendor Column: Uses for Scientific Search
Date: Jun 26, 2013
Author: Chris Stumpf
In this third article in the latest series, Waters Corporation's Chris Stumpf looks at several analytical chemistry-based roles where Scientific Search could have a measureable impact at science focused organizations.
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