Lab Informatics @ separationsNOW

The Informatics channel covers data acquisition, manipulation and management.

This includes: laboratory information management systems (LIMS), chromatography data systems (CDS), and electronic lab notebooks (ELN).


Monthly Highlight

Last Month's Most Accessed Feature: Slim chance of purity with internet herbal weight loss products

So-called ‘herbal’ slimming aids are often adulterated with banned slimming drugs or other chemicals, to increase their effectiveness. Researchers in Brussels and Antwerp examined several different samples of such products by UHPLC, classifying them using various chemometric methods, such as hierarchical cluster analysis (HCA), Classification and Regression Tree (CART), and partial least squares discriminant analysis (PLS-DA).

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Educational Webinar
Engineered serendipity

Serendipity or ‘accidental discovery’ is the absolute epitome of innovation. Vaccination, penicillin and Viagra are some famous examples of serendipitous discoveries, but did you know that the splitless injection technique, stir bar sorptive extraction (SBSE) and selected ion flow tube MS (SIFT-MS) were also discovered by clever accident? The webinar will provide basic insights into the process of innovation and how to implement it successfully using principles and tools from Lean thinking.

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Advertorial Feature

Wiley Spectra Lab:
The World's Largest Spectral Database

thumbnail image: <font size=3>Wiley Spectra Lab:</font><br/>The World's Largest Spectral Database

Wiley Spectra Lab is an expert spectral data system that uses empirical spectral data and advanced software to help chemists, toxicologists, and life scientists confidently identify chemical substances. Powered by the KnowItAll® analytical platform by Bio-Rad, Wiley Spectra Lab provides researchers with access to 2.2 million MS, NMR, and IR spectra – the broadest and largest collection in the world.

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No standards involved, but are all problems solved?

Ryan De Vooght-Johnson

Aug 15, 2017

thumbnail image: No standards involved but are all problems solved

Modern analytical techniques, such as HRMS (high-resolution mass spectrometry), enable the simultaneous detection of a large number of compounds, but normally rely on analytical standards of all the compounds being available, which may not be the case. Researchers from the Zurich Official Food Control Authority have developed an LC-HRMS method that identifies compounds without the use of standards, demonstrating its efficiency by identifying veterinary compounds spiked into meat and fish extracts.

Untargeted metabolomic profiling of the seminal plasma in men with nonobstructive azoospermia was studied by GC/MS and advance chemometrics, leading to 36 potential biomarkers of the condition.

Hydrophilic interaction liquid chromatography (HILIC) is a relatively new method, so theoretical work on the relationships between its parameters is not as extensive as with older techniques. Scientists from the University of Belgrade looked at the association between peak retention and mobile phase composition for HILIC on the antipsychotic drug olanzapine and its impurities using various theoretical models.

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Selected key technologies of the analytical science industry are discussed by Steve Down with reference to burgeoning application areas and the scope for future improvements.

We are proud to announce a new series of educational webinars run in collaboration with Chromedia, COAST, and SciMind, a product of the American Chemical Society. These webinars will build into a must-have set of tutorial materials for the analytical scientist.

This glossary of chemometrics terms is provided with the permission of Bryan Prazen of the Synovec Group, Department of Chemistry, University of Washington.

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High quality, peer-reviewed original research, reviews and short communications in the fundamental and applied aspects of chemometrics ensure that this international journal is the journal of choice for chemists, statisticians and mathematicians working with chemical data.

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