Today, we are very pleased to announce the SpeCS v.0.6 release which applies the spectral comparison score (SCS) algorithm score LMs in relation to their structural similarity enabling a well-defined quality control approach for PRM based quantitation. The score is based on the Spearman’s rank correlation between fragment intensities in the query and library as well as the number of matched fragment. To automatize the scoring the software “SpeCS” was developed to

1) process raw peak lists,

2) generate customized spectral libraries,

3) perform SCS calculations, and

4) help to identify quantifier ions.

A set of filters can be employed to delete background signals and/or select only fragments that fit the compositional constraint of CnH3/2n-yOz (n=4,5,6…22; y: 0,1,2; z=0,1,2..5).

Download SpeCS v.0.6.

SpeCS for Windows

 

New in this release


Specs

Publications

Adam Wutkowskia, Matthias Krajewski, Navratan Bagwan, Mathias Schäfer, Bhesh R.Paudyal, Ulrich E. Schaible, Dominik Schwudke,

Software-aided quality control of parallel reaction monitoring based quantitation of lipid mediators,

Analytica Chimica Acta (2018),doi:10.1016/j.aca.2018.01.044

Bioanalytical Chemistry - Research Center Borstel

Dr. Domink Schwudke - Research group leader
Dr. Adam Wutkowski - Research Center Borstel

Today, we are very pleased to announce the LUX Score Browser release v1.0.1, which provides a measure of homology between lipidomes. This release includes different features, e.g., easy installation, improvement in the logic of output structure, tutorials, installation guide, Windows and Linux support.

Download LUX Score Browser v.1.0.1

LUX Score for Windows LUX Score for Linux Test Data

New in this release

  • A user-friendly graphical interface

LuxScoreV.0.1

  • Error Modeling

Error V.1

  • Improvement of computation time

stat

Our project webpage offers you the possibility to stay in touch with the current state of the LIFS project, recent publications and many other interesting links are supported online.

Contact and Help Desk

For support and information please contact:
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LUX score related publications

  1. Dominik Schwudke,  Andrej Shevchenko, Nils Hoffmann and Robert Ahrends,Lipidomics Informatics for Life-Science,Journal of Biotechnology,  J Biotechnol. 261:131-136, 2017.
  2. Lars F.  Eggers, Julia  Müller , Chakravarthy  Marella, Verena  Scholz, Henrik  Watz, Christian  Kugler, Klaus F.  Rabe, Torsten  Goldmann  & Dominik  Schwudke,Lipidomes of lung cancer and tumour-free lung tissues reveal distinct molecular signatures for cancer differentiation, age, inflammation, and pulmonary emphysema,Scientific Reports, Sci Rep. 7(1):11087, 2017.
  3. Chakravarthy Marella, Andrew E. Torda and Dominik Schwudke,The LUX score: a metric for lipidome homology,PLoS computational biology, PLoS Comput Biol. 11(9):e1004511, 2015.

Bioanalytical Chemistry - Research Center Borstel

Dr. Domink Schwudke - Research group leader
Dr. Fadi Al Machot - Data mining, machine learning and developer

 

Lipidomics Forum 2018

The Lipidomics Forum 2018 will take place at the Leibniz Institute for Analytical Sciences - ISAS e.V. - Dortmund, Germany, from November 11th to 13th 2018.

It brings together international specialists and experts in the field and offers a unique opportunity
to present current research and exchange ideas on the upcoming hot topics of lipidomics.

Lipidomics Forum 2018 is joining forces with the LipidMaps consortium to boost lipidomics community efforts and visibility.

The organizers are happy to announce the following keynote speakers:

  • Michal Holčapek -
Department of Analytical Chemistry, Pardubice, Czech Republic
  • Ivan Tancevski -
Department of Internal Medicine, Innsbruck, Austria
  • Valerie O'Donnell -
Systems Immunity Research Institute, Cardiff, UK
  • Thorsten Hornemann -
Medical faculty, Zürich, Switzerland
  • Gerhard Liebisch -
Clinical chemistry, Regensburg, Germany
  • Rainer Lehmann -
Department of Internal Medicine, University Hospital, Tübingen, Germany

 

More information can be found on the venue's homepage.

The Lipidomics Forum 2017 will take place at the Leibniz Institute Research Center Borstel, Germany, from November 12th to 14th.

It brings together international specialists and experts in the field and offers a unique opportunity
to present current research and exchange ideas on the upcoming hot topics of lipidomics.

Registration is still open for last minute attendance.

Please register here.

The LIFS consortium has published its first overview and perspective article on the LIFS project:

Lipidomics informatics for life-science

J Biotechnol. 2017 Aug 16. pii: S0168-1656(17)31596-1. doi: 10.1016/j.jbiotec.2017.08.010.