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Scientists reverse engineer the nuts and bolts of medicinal legumes

Date: Nov 14, 2016

Author: Ryan De Vooght-Johnson

Curiosity killed the cat—allegedly—but also allowed Sapiens to flourish. At the heart of humankind’s endless curiosity lies a labyrinth of data, verging on too complex and too vast for humankind to process. In response, scientists have handed their MS/MS data to silicon, to great success.

Read More thumbnail image: Scientists reverse engineer the nuts and bolts of medicinal legumes

Journal Highlight: Radial basis function neural networks based on projection pursuit approach and solvatochromic descriptors: single and full column prediction of GC retention behavior of PCBs

Date: Nov 7, 2016

Author: separationsNOW

The dimension reduction ability of the projection pursuit approach has been compared to principal components analysis for processing the high-resolution GC relative retention times of PCBs on 18 different stationary phases.

Read More thumbnail image: Journal Highlight Radial basis function neural networks based on projection pursuit approach and solvatochromic descriptors single and full column prediction of GC retention behavior of PCBs

Can the opinion of sensory panels be reduced to chemical analyses?

Date: Nov 1, 2016

Author: Ryan De Vooght-Johnson

Researchers in Germany have developed a using GC-MS and olfactometry combined with linear discriminant analysis method to classify samples of virgin rapeseed oil based on sensory qualities. But can this eliminate the need for professional taste testers?

Read More thumbnail image: Can the opinion of sensory panels be reduced to chemical analyses

Vendor Column: Why should I perform calculations within my chromatography data system?

Date: Oct 22, 2016

Author: Chris Stumpf

In the fifth article in this current series, Waters Corporation's Chris Stumpf addresses using a chromatography data system for calculations over a spreadsheet.

Read More thumbnail image: Vendor Column Why should I perform calculations within my chromatography data system

Deconvolution of complex spectra outsourced to algorithm

Date: Oct 15, 2016

Author: Ryan De Vooght-Johnson

A new algorithm for spectral deconvolution and xenobiotic identification aids forensic toxicology investigations, uncovering more xenobiotics in blood samples than humans alone.

Read More thumbnail image: Deconvolution of complex spectra outsourced to algorithm

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
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