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Journal Highlight: Rigorous 3-dimensional spectral data activity relationship approach modeling strategy for ToxCast estrogen receptor data classification, validation, and feature extraction

Date: Oct 10, 2016

Author: separationsNOW

The estrogenic potential of 1528 compounds from the ToxCast database has been modelled by a 3-dimensional spectral data activity relationship approach, allowing identification of structural features essential for estrogenicity.

Read More thumbnail image: Journal Highlight Rigorous 3-dimensional spectral data activity relationship approach modeling strategy for ToxCast estrogen receptor data classification validation and feature extraction

Mistaken identity: Tools help to distinguish the medicinal from the endangered

Date: Oct 1, 2016

Author: Ryan De Vooght-Johnson

Imagine you have a doppelgänger who indulges in delinquent behaviour—behaviour which you’re constantly and falsely being accused of committing. In a strikingly similar set of unfortunate circumstances, three species of the Panux genus have been pushed to the brink of extinction, based solely on another’s reported successes.

Read More thumbnail image: Mistaken identity Tools help to distinguish the medicinal from the endangered

Picture perfect: model captures programmed temperature gas chromatography panorama

Date: Sep 14, 2016

Author: Ryan De Vooght-Johnson

The more data accounted for, the more accurate the calculation. Ever since the 1960s, scientists have attempted to capture the mathematical panorama, and here researchers from Hawaii and China attempt to add yet more detail to the picture.

Read More thumbnail image: Picture perfect model captures programmed temperature gas chromatography panorama

Journal Highlight: Training in metabolomics research. II. Processing and statistical analysis of metabolomics data, metabolite identification, pathway analysis, applications of metabolomics and its future

Date: Sep 6, 2016

Author: separationsNOW

A comprehensive description of the methods of metabolomics is provided, focusing on data analysis, emerging methods in metabolomics and the future of this discipline.

Read More thumbnail image: Journal Highlight Training in metabolomics research_ II_ Processing and statistical analysis of metabolomics data metabolite identification pathway analysis applications of metabolomics and its future

The power of flower tea: Components of Coreopsis tinctoria mapped out for the first time

Date: Sep 1, 2016

Author: Ryan De Vooght-Johnson

How do you make the best cup of tea? One size does not fit all, that’s for sure. Many may be urged on by their taste buds, some by their caffeine urges, whilst others may be conscious of their health. Fixated by the latter, scientists based in China applied cutting-edge analytics to decipher: what is in our Coreopsis tinctoria flower tea?

Read More thumbnail image: The power of flower tea Components of Coreopsis tinctoria mapped out for the first time

Another pair of eyes: improved ability to measure consistency of ophthalmic drug dosages

Date: Aug 17, 2016

Author: Ryan De Vooght-Johnson

Measuring the error of your novel analytical test one-variable-at-a-time is painstakingly slow, not to mention the huge amounts of data generated. In response, researchers from the University of La Laguna in Tenerife set out to devise a cheap and accessible test capable of measuring the conformity of triamcinolone acetonide within eye hydrogels using accessible technology and new-generation data crunching.

Read More thumbnail image: Another pair of eyes improved ability to measure consistency of ophthalmic drug dosages

Vendor Column: Two approaches to multi-vendor instrument support when standardizing your CDS Operations

Date: Aug 16, 2016

Author: Chris Stumpf

The cost of training and maintaining multiple Chromatography Data Systems are driving many organizations to standardize on a single chromatography data platform. In this first article in a brand new series, Waters Corporation's Chris Stumpf discusses things to think about when standardizing your chromatography data system (CDS) operations.

Read More thumbnail image: Vendor Column Two approaches to multi-vendor instrument support when standardizing your CDS Operations

Journal Highlight: Investigating the roles of dissolved organic matter on arsenic mobilization and speciation in environmental water

Date: Aug 8, 2016

Author: separationsNOW

Water from the three most heavily As-contaminated rivers in China was studied by SEC, ICPMS and 3D excitation-emission matrix fluorescence spectroscopy coupled with parallel factor analysis (PARAFAC) to clarify the role of dissolved organic matter in As removal.

Read More thumbnail image: Journal Highlight Investigating the roles of dissolved organic matter on arsenic mobilization and speciation in environmental water

Not a load of rhubarb: Study finds 16 chemicals that emerge from processing rhubarb

Date: Aug 1, 2016

Author: Ryan De Vooght-Johnson

Chinese physicians of bygone generations prescribed natural remedies for a multitude of ailments and maladies. Today, practitioners of Traditional Chinese Medicine are retracing their steps with modern analytical techniques in an attempt to elucidate the active components behind their therapeutic activity.

Read More thumbnail image: Not a load of rhubarb Study finds 16 chemicals that emerge from processing rhubarb

Oil spoils: saturated fatty acids improve the frying quality of olive oil

Date: Jul 14, 2016

Author: Ryan De Vooght-Johnson

Toxic products are created from the repeated use of cooking oils. In response, scientists from Universities of Sfax, Tunisa, and Pisa, Italy, worked together to modify the fatty acid component of refined palm oil, with the aim of improving its thermostability.

Read More thumbnail image: Oil spoils saturated fatty acids improve the frying quality of olive oil
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