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Category: News

Published: 14 March 2018

Meet the LIFS consortium members at Analytica 2018, April 10th - 13th, Munich, Germany.

We will present our latest advancements in the Multiomics and BIG DATA Tools for OMICS tracks, focusing on the integration of Lipidomics and Proteomics data.

See you in Munich!

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Category: News

Published: 14 March 2018

During last week's 7th International Singapore Lipid Symposium, organized by Prof. Markus R Wenk, the Lipidomics Standards Initiative (LSI) was officially launched by Dr. Kim Ekroos and PD. Dr. Gerhard Liebisch.

The aim of the LSI is to define standards for protocols, reporting and data exchange formats in lipidomics.

Stay tuned for more information on the LSI and how to get involved during the next months.

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Category: News

Published: 27 February 2018

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 C_nH_3/2n-yO_z (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

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

Details

Category: News

Published: 19 February 2018

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

• Error Modeling

• Improvement of computation time

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