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Data processing to the extreme: How best to process metaproteomics data

Date: Jun 3, 2015

Author: Jon Evans

A study to determine the most effective way of meeting the extreme data processing challenges of metaproteomics studies has found the benefits of combining several different ways.

Read More thumbnail image: Data processing to the extreme How best to process metaproteomics data

Journal Highlight: Resolution and identification of co-eluting alkylphenols in comprehensive 2D GC-MS by MCR-ALS

Date: May 19, 2015

Author: separationsNOW

Spanish analytical scientists used multivariate curve resolution-alternating least squares to resolve co-eluting alkylphenol isomers analyzed by 2D gas chromatography-mass spectrometry.

Read More thumbnail image: Journal Highlight Resolution and identification of co-eluting alkylphenols in comprehensive 2D GC-MS by MCR-ALS

Journal Highlight: Assessment of repeatability of composition of perfumed waters by HPLC combined with numerical data analysis based on cluster analysis

Date: May 11, 2015

Author: separationsNOW

Polish chemists have shown that HPLC with cluster analysis makes a fast and accurate method for determining the consistency of the composition of perfume products.

Read More thumbnail image: Journal Highlight Assessment of repeatability of composition of perfumed waters by HPLC combined with numerical data analysis based on cluster analysis

Running as an independent: A new software tool for data-independent acquisition

Date: May 4, 2015

Author: Jon Evans

Researchers from the US and Japan have developed a software tool called MS-DIAL for accurately allocating product ions to their respective precursor ions in tandem mass spectrometry.

Read More thumbnail image: Running as an independent A new software tool for data-independent acquisition

Journal Highlight: Application of chemometrics to resolve overlapping mass spectral peak clusters between trichloroethylene and its deuterated internal standard

Date: Apr 20, 2015

Author: separationsNOW

Two US chemists have for the first time used classical least-squares to deconvolute overlapping mass spectral peaks between an analyte and its corresponding isotopic internal standard for quantification.

Read More thumbnail image: Journal Highlight Application of chemometrics to resolve overlapping mass spectral peak clusters between trichloroethylene and its deuterated internal standard

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
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