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Lange Nacht, die Wissen schafft

4. Juli 2025 am IPB
IPB-Newsletter | April 2025
Wir verstehen Pflanzen!

Der Film zum Institut
Molekulare Signalverarbeitung

Prof. Dr. Steffen Abel
Wie Pflanzen ihrer Umwelt trotzen.
Natur- und Wirkstoffchemie

Prof. Dr. Ludger Wessjohann
Die Chemie der Natur – Basis für Wirkstoffe zur Gesunderhaltung von Mensch und Pflanze.
Biochemie pflanzlicher Interaktionen

Prof. Dr. Tina Romeis
Wechselwirkungen in, von und mit Pflanzen.
Stoffwechsel- und Zellbiologie

Prof. Dr. Alain Tissier
Sekundär jedoch nicht zweitrangig - Die biologischen Funktionen pflanzlicher Sekundärmetaboliten.
Unabhängige Nachwuchsgruppe

Dr. Mariana Schuster

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Im Rahmen der Wirkstofftage am 9. April 2025 verlieh das Leibniz-Forschungsnetzwerk Wirkstoffe den Preis „Leibniz-Wirkstoff des Jahres“ 2025 an Dr. Ibrahim Morgan, Dr. Robert Rennert, Dr. Tuvshinjargal Budragchaa und Prof.…

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Laborantin bzw. Technischer Assistent*in (m/w/d) (9/2025)

Datum: 08.04.2025 Referenznummer: 9/2025

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Martens, M.; Stierum, R.; Schymanski, E. L.; Evelo, C. T.; Aalizadeh, R.; Aladjov, H.; Arturi, K.; Audouze, K.; Babica, P.; Berka, K.; Bessems, J.; Blaha, L.; Bolton, E. E.; Cases, M.; Damalas, D. ?.; Dave, K.; Dilger, M.; Exner, T.; Geerke, D. P.; Grafström, R.; Gray, A.; Hancock, J. M.; Hollert, H.; Jeliazkova, N.; Jennen, D.; Jourdan, F.; Kahlem, P.; Klanova, J.; Kleinjans, J.; Kondić, T.; Kone, B.; Lynch, I.; Maran, U.; Martinez Cuesta, S.; Ménager, H.; Neumann, S.; Nymark, P.; Oberacher, H.; Ramirez, N.; Remy, S.; Rocca-Serra, P.; Salek, R. M.; Sallach, B.; Sansone, S.-A.; Sanz, F.; Sarimveis, H.; Sarntivijai, S.; Schulze, T.; Slobodnik, J.; Spjuth, O.; Tedds, J.; Thomaidis, N.; Weber, R. J.; van Westen, G. J.; Wheelock, C. E.; Williams, A. J.; Witters, H.; Zdrazil, B.; Županič, A.; Willighagen, E. L.; ELIXIR and Toxicology: a community in development F1000Research 10 1129 (2023) DOI: 10.12688/f1000research.74502.2

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Amara, A.; Frainay, C.; Jourdan, F.; Naake, T.; Neumann, S.; Novoa-del-Toro, E. M.; Salek, R. M.; Salzer, L.; Scharfenberg, S.; Witting, M.; Networks and graphs discovery in metabolomics data analysis and interpretation Frontiers in Molecular Biosciences 9 841373 (2022) DOI: 10.3389/fmolb.2022.841373

Both targeted and untargeted mass spectrometry-based metabolomics approaches are used to understand the metabolic processes taking place in various organisms, from prokaryotes, plants, fungi to animals and humans. Untargeted approaches allow to detect as many metabolites as possible at once, identify unexpected metabolic changes, and characterize novel metabolites in biological samples. However, the identification of metabolites and the biological interpretation of such large and complex datasets remain challenging. One approach to address these challenges is considering that metabolites are connected through informative relationships. Such relationships can be formalized as networks, where the nodes correspond to the metabolites or features (when there is no or only partial identification), and edges connect nodes if the corresponding metabolites are related. Several networks can be built from a single dataset (or a list of metabolites), where each network represents different relationships, such as statistical (correlated metabolites), biochemical (known or putative substrates and products of reactions), or chemical (structural similarities, ontological relations). Once these networks are built, they can subsequently be mined using algorithms from network (or graph) theory to gain insights into metabolism. For instance, we can connect metabolites based on prior knowledge on enzymatic reactions, then provide suggestions for potential metabolite identifications, or detect clusters of co-regulated metabolites. In this review, we first aim at settling a nomenclature and formalism to avoid confusion when referring to different networks used in the field of metabolomics. Then, we present the state of the art of network-based methods for mass spectrometry-based metabolomics data analysis, as well as future developments expected in this area. We cover the use of networks applications using biochemical reactions, mass spectrometry features, chemical structural similarities, and correlations between metabolites. We also describe the application of knowledge networks such as metabolic reaction networks. Finally, we discuss the possibility of combining different networks to analyze and interpret them simultaneously.

Publikation

Wijnker, E.; Harashima, H.; Müller, K.; Parra-Nuñez, P.; de Snoo, C. B.; van de Belt, J.; Rajjou, L.; Bayer, M.; Pradillo, M.; Schnittger, A.; The Cdk1/Cdk2 homolog CDKA;1 controls the recombination landscape in Arabidopsis Proc. Natl. Acad. Sci. U.S.A. 116 12534-12539 (2019) DOI: 10.1073/pnas.1820753116

Publikation

Peters, K.; Bradbury, J.; Bergmann, S.; Capuccini, M.; Cascante, M.; de Atauri, P.; Ebbels, T. M. D.; Foguet, C.; Glen, R.; Gonzalez-Beltran, A.; Günther, U. L.; Handakas, E.; Hankemeier, T.; Haug, K.; Herman, S.; Holub, P.; Izzo, M.; Jacob, D.; Johnson, D.; Jourdan, F.; Kale, N.; Karaman, I.; Khalili, B.; Emami Khoonsari, P.; Kultima, K.; Lampa, S.; Larsson, A.; Ludwig, C.; Moreno, P.; Neumann, S.; Novella, J. A.; O'Donovan, C.; Pearce, J. T. M.; Peluso, A.; Piras, M. E.; Pireddu, L.; Reed, M. A. C.; Rocca-Serra, P.; Roger, P.; Rosato, A.; Rueedi, R.; Ruttkies, C.; Sadawi, N.; Salek, R. M.; Sansone, S.-A.; Selivanov, V.; Spjuth, O.; Schober, D.; Thévenot, E. A.; Tomasoni, M.; van Rijswijk, M.; van Vliet, M.; Viant, M. R.; Weber, R. J. M.; Zanetti, G.; Steinbeck, C.; PhenoMeNal: processing and analysis of metabolomics data in the cloud GigaScience 8 giy149 (2019) DOI: 10.1093/gigascience/giy149

BackgroundMetabolomics is the comprehensive study of a multitude of small molecules to gain insight into an organism's metabolism. The research field is dynamic and expanding with applications across biomedical, biotechnological, and many other applied biological domains. Its computationally intensive nature has driven requirements for open data formats, data repositories, and data analysis tools. However, the rapid progress has resulted in a mosaic of independent, and sometimes incompatible, analysis methods that are difficult to connect into a useful and complete data analysis solution.FindingsPhenoMeNal (Phenome and Metabolome aNalysis) is an advanced and complete solution to set up Infrastructure-as-a-Service (IaaS) that brings workflow-oriented, interoperable metabolomics data analysis platforms into the cloud. PhenoMeNal seamlessly integrates a wide array of existing open-source tools that are tested and packaged as Docker containers through the project's continuous integration process and deployed based on a kubernetes orchestration framework. It also provides a number of standardized, automated, and published analysis workflows in the user interfaces Galaxy, Jupyter, Luigi, and Pachyderm.ConclusionsPhenoMeNal constitutes a keystone solution in cloud e-infrastructures available for metabolomics. PhenoMeNal is a unique and complete solution for setting up cloud e-infrastructures through easy-to-use web interfaces that can be scaled to any custom public and private cloud environment. By harmonizing and automating software installation and configuration and through ready-to-use scientific workflow user interfaces, PhenoMeNal has succeeded in providing scientists with workflow-driven, reproducible, and shareable metabolomics data analysis platforms that are interfaced through standard data formats, representative datasets, versioned, and have been tested for reproducibility and interoperability. The elastic implementation of PhenoMeNal further allows easy adaptation of the infrastructure to other application areas and ‘omics research domains.

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Lange Nacht, die Wissen schafft

IPB-Newsletter | April 2025

Wir verstehen Pflanzen!

Molekulare Signalverarbeitung

Natur- und Wirkstoffchemie

Biochemie pflanzlicher Interaktionen

Stoffwechsel- und Zellbiologie

Unabhängige Nachwuchsgruppe

Aktuelles

+++ Newsticker Wissenschaft #181 +++ Maschinelles Lernen +++

Preisverleihung zu den Wirkstofftagen: “Leibniz-Wirkstoff des Jahres 2025” geht an IPB-Team für Krebsforschungsprojekt

Pilzsachverständige in Sachsen-Anhalt: Jubiläumsstimmung zur Frühjahrstagung

Stellenausschreibungen

Laborantin bzw. Technischer Assistent*in (m/w/d) (9/2025)

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