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: Fab separations for Fab antibodies predicted by QSAR?

Since an increasing array of separation methods are now used for proteins, interest is growing in using computational methods, such as quantitative structure–activity relationship (QSAR) calculations, to predict the likely response of proteins of interest to different systems, so that separations can be predicted. Researchers have used QSAR to predict the response of various antibody Fragment antigen-binding (Fab) fragments in different separation systems, with varying degrees of success.

Read More thumbnail image: Last Month's Most Accessed Feature: Fab separations for Fab antibodies predicted by QSAR?

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.

Read More thumbnail image: <font color=red>Educational Webinar</font><br/>Engineered serendipity

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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Dipsacus apser, or Japanese teasel, is commonly used in Chinese herbal medicine, often after rinsing with wine and then boiling with water. Researchers from Nanjing University of Chinese Medicine compared the differences between the composition of the raw herb and wine-processed material, using UHPLC-MS/MS and the chemometric methods PCA, HCA and PLS-DA.

A curve resolution approach for chromatogram fingerprinting of GC/MS data has been applied for the first time to identify the embedded impurities of a drug of abuse.

New MOGO optimisation algorithm wins at Monte Carlo

Ryan De Vooght-Johnson

Apr 2, 2017

thumbnail image: New MOGO optimisation algorithm wins at Monte Carlo

Optimisation of conflicting objectives, such as yield and purity, has long been a problem in process optimisation. Researchers from the Forschungszentrum Jülich in Germany have developed an improved optimisation algorithm, MOGO, which they applied to the simulated separation of a protein by ion-exchange chromatography.

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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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Future Events

HPLC 2017

Jun 18, 2017

Washington, DC, Czech Republic

thumbnail image: HPLC 2017

The HPLC 2017 Prague symposium is organized for the first time in the Czech Republic. The HPLC symposium series is well known as the world leading forum for the information exchange among researchers dealing with separations in liquid phases and supercritical fluids.

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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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Waters Empower Cloud

Date: Mar 8, 2017

Thomas Tucker from Waters Corporation discusses Empower Cloud, a cloud deployable, compliance ready enterprise Chromatography Data Software (CDS).

thumbnail image: Waters Empower Cloud
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