Search

Elektronische Laborjournale (ELNs) sind eines der wichtigsten Werkzeuge der Forschenden, die es ermöglichen, Ihre Forschungsdaten nach den FAIR-Prinzipien (Findable, Accessible, Interoperable, Reusable) zu veröffentlichen. Das Open-Source ELN Chemotion sowie das angebundene Chemotion Repositorium, welche kontinuierlich durch das Konsortium NFDI4Chem im Rahmen der NFDI (Nationalen Forschungsdateninfrastruktur) weiterentwickelt werden, sind besonders auf die Umsetzung der FAIR-Prinzipien ausgelegt., Die HeFDI-Forschungsdatentage ermöglichen es Forschenden, Lehrenden und allen weiteren Interessierten, Themen und Angebote des Forschungsdatenmanagements (FDM) kennenzulernen und zu erproben. Zudem stellen verschiedene hessische Infrastruktur-Einrichtungen und Zentren ihre Dienste und Angebote vor. Die Forschungsdatentage sind ein Angebot der Landesinitiative HeFDI - Hessische Forschungsdateninfrastrukturen, welche vom Hessischen Ministerium für Wissenschaft und Kunst (HMWK) finanziert wird.

Lecture at the Chemiedozententagung 2022 in Saarbrücken, 21.-23.3.2022

With digitalisation progressing and changing all areas of research, the German federal and state governments set out in 2018 to develop a national infrastructure for research data (Nationale Forschungsdateninfrastruktur, NFDI) across all academic disciplines. In this context, NFDI4Chem, which started as a grassroots initiative, resumed its work as the Chemistry Consortium in the NFDI in October 2020. Following the FAIR data principles NFDI4Chem wants to support scientists in their efforts to collect, store, process, analyse, disclose and re-use research data. Starting at the lab workbench with the provision of electronic lab notebooks (ELNs) and interfacing with data repositories to developing standards, NFDI4Chem seeks to remove the analogue gaps from the digital data lifecycle. This poster outlines the concepts we implement in NFDI4Chem to support research data management throughout the research data cycle and make open science in chemistry a reality.

There is a dire need for new compounds to combat antibiotic resistance: metal complexes might provide the solution. 906 metal complexes were evaluated against dangerous ESKAPE pathogens and found to have a higher hit-rate than organic molecules., There is a dire need for new antimicrobial compounds to combat the growing threat of widespread antibiotic resistance. With a currently very scarce drug pipeline, consisting mostly of derivatives of known antibiotics, new classes of antibiotics are urgently required. Metal complexes are currently in clinical development for the treatment of cancer, malaria and neurodegenerative diseases. However, only little attention has been paid to their application as potential antimicrobial compounds. We report the evaluation of 906 metal-containing compounds that have been screened by the Community for Open Antimicrobial Drug Discovery (CO-ADD) for antimicrobial activity. Metal-bearing compounds display a significantly higher hit-rate (9.9%) when compared to the purely organic molecules (0.87%) in the CO-ADD database. Out of 906 compounds, 88 show activity against at least one of the tested strains, including fungi, while not displaying any cytotoxicity against mammalian cell lines or haemolytic properties. Herein, we highlight the structures of the 30 compounds with activity against Gram-positive and/or Gram-negative bacteria containing Mn, Co, Zn, Ru, Ag, Eu, Ir and Pt, with activities down to the nanomolar range against methicillin resistant S. aureus (MRSA). 23 of these complexes have not been reported for their antimicrobial properties before. This work reveals the vast diversity that metal-containing compounds can bring to antimicrobial research. It is important to raise awareness of these types of compounds for the design of truly novel antibiotics with potential for combatting antimicrobial resistance.

NFDI4Chem Vortrag von Dr. Nicole Jung und Dr. John Jolliffe über die Digitalisierung chemischer Forschungsarbeiten,vorgetragen bei den HeFDI Data Talks 2021.

Research ideas and outcomes 6, e55852 (2020). doi:10.3897/rio.6.e55852, Published by Pensoft, Sofia

Presentation given at the Analytica conference 2022 in Munich taking place from June 21st to June 23rd. The presentation entitled "Chemotion ELN and Chemotion Repository as tools for the digitalization in chemical research within the framework of NFDI4Chem" was part of the session "Research Data Management III" organized by the German Chemical Society (GDCh).