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Journal Highlight: Robust alignment of chromatograms by statistically analyzing the shifts matrix generated by moving window fast Fourier transform cross-correlation

Date: Apr 13, 2015

Author: separationsNOW

Chinese chemists have developed an improved version of the moving window fast Fourier transform cross-correlation algorithm for aligning chromatograms.

Read More thumbnail image: Journal Highlight Robust alignment of chromatograms by statistically analyzing the shifts matrix generated by moving window fast Fourier transform cross-correlation

Still waters run deep: Detecting organic compounds in lake sediment

Date: Apr 7, 2015

Author: Jon Evans

Using a combination of pyrolysis-gas chromatography/mass spectrometry and multivariate curve resolution, Swedish researchers have been able to identify over 200 different organic compounds in just 200μg of lake sediment.

Read More thumbnail image: Still waters run deep Detecting organic compounds in lake sediment

Journal Highlight: New peak broadening parameter for the characterization of separation capability in CE

Date: Mar 16, 2015

Author: separationsNOW

Two Russian chemists have shown that peak width in terms of electrophoretic mobility is a better measure of separation capability in capillary electrophoresis than plate number.

Read More thumbnail image: Journal Highlight New peak broadening parameter for the characterization of separation capability in CE

Journal Highlight: Discovery of false identification using similarity difference in GC–MS-based metabolomics

Date: Mar 9, 2015

Author: separationsNOW

Two US researchers have developed a new method for reducing the false discovery rate when identifying metabolites detected by gas chromatography-mass spectrometry.

Read More thumbnail image: Journal Highlight Discovery of false identification using similarity difference in GCMS-based metabolomics

Classy relationship: Determining chemical class from retention times

Date: Mar 2, 2015

Author: Jon Evans

Although rather surprising that it hadn’t been spotted before, the recent discovery by Greek chemists of the relationship between retention time and chemical class turns out to be extremely well timed.

Read More thumbnail image: Classy relationship Determining chemical class from retention times

Journal Highlight: Identification of metabolites of gardenin A in rats by combination of HPLC with linear ion trap–Orbitrap MS based on multiple data processing techniques

Date: Feb 16, 2015

Author: separationsNOW

By applying various data processing techniques to HPLC-MS data, Chinese researchers have managed to profile the metabolic fate of a health-promoting flavonoid known as gardenin A in rats.

Read More thumbnail image: Journal Highlight Identification of metabolites of gardenin A in rats by combination of HPLC with linear ion trapOrbitrap MS based on multiple data processing techniques

Journal Highlight: PLS-DA for compositional data with application to metabolomics

Date: Feb 9, 2015

Author: separationsNOW

Researchers from Austria and the Czech Republic have demonstrated how partial least squares discriminant analysis can be applied to compositional data in metabolomics.

Read More thumbnail image: Journal Highlight PLS-DA for compositional data with application to metabolomics

What a transformation: Replacing time with a physical property in electropherograms

Date: Feb 2, 2015

Author: Jon Evans

After showing that the process of converting a standard time-based electropherogram into one that displays the distribution of a physical property is more complicated than it first appears, French researchers developed a method for doing just that.

Read More thumbnail image: What a transformation Replacing time with a physical property in electropherograms

Journal Highlight: ProteoAnnotator – Open source proteogenomics annotation software supporting PSI standards

Date: Jan 19, 2015

Author: separationsNOW

British researchers have developed open-source annotation software for proteogenomics, called ProteoAnnotator, which incorporates a graphical user interface and implements the Proteomics Standards Initiative mzIdentML standard.

Read More thumbnail image: Journal Highlight ProteoAnnotator  Open source proteogenomics annotation software supporting PSI standards

Journal Highlight: CE fingerprinting coupled with chemometrics to evaluate the quality consistency and predict the antioxidant activity of Sanhuang tablet as part of its quality control

Date: Jan 12, 2015

Author: separationsNOW

Chinese researchers have constructed a capillary electrophoresis fingerprint for Sanhuang tablet, a Chinese traditional patent medicine, and used it to determine the quality consistency of tablets from various manufacturers.

Read More thumbnail image: Journal Highlight CE fingerprinting coupled with chemometrics to evaluate the quality consistency and predict the antioxidant activity of Sanhuang tablet as part of its quality control
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