Dear Reader,

With our fourth NFDI4Chem Newsletter we report on the recently launched NFDI4Chem Terminology Service, the upcoming FAIR4Chem Award and some articles hot off the press. In this issue you can also read about recent and upcoming events such as the NFDI4Chem Talk Series, our regular Chemotion/NFDI4Chem “Stammtisch” and the 18th RDA plenary meeting. Moreover, we continue presenting our task area leads, different data repositories and much more.

Let us know if you are interested in additional topics we should cover. We are happy to hear from you!

Enjoy the read and

stay healthy!


Your NFDI4Chem Team

Get to know the consortium!

In our fourth newsletter we continue to introduce the leads of our six task areas (TA). Meet Matthias Razum and Dr. Felix Bach, leads of TA 3 - Repositories!
Matthias Razum is head of the e-Research department at FIZ Karlsruhe – Leibniz Institute for Information Infrastructure. He studied business informatics. After his diploma, he joined FIZ Karlsruhe in 1995 as a software developer. Since 2004, he has focused on the design and implementation of solutions for research data management, virtual research environments and digital long-term archiving.
Felix Bach works on generic RDM, data analysis and machine learning at Karlsruhe Institute of Technology (KIT). Besides developing and running several RDM- and long-term bit preservation services at the Steinbuch Centre for Computing (SCC), he is part of the joint management of the service team RDM@KIT, that supports researchers in designing, using and adapting KIT’s infrastructure to discipline-specific requirements, and with RDM training and education.

FAIR4Chem Award

The FAIRest dataset in chemistry!

With the FAIR4Chem Award, the NFDI4Chem consortium honours researchers in chemistry who publish their research data. The award is given for published chemistry research datasets that best meet the FAIR principles (findable, accessible, interoperable, and reusable) and thus make a significant contribution to increasing transparency in research and the reuse of scientific knowledge.
The prize money amounts to 500 (five hundred) Euros, which can be used freely, and is financed by the Fonds der Chemischen Industrie. The award will be presented during the JCF Frühjahrssymposium 2022, including a talk about the winning dataset by the awardee. From October 15 to December 15, 2021, you can submit your datasets. For more information on the FAIR4Chem Award, check out the FAIR4Chem website.

NFDI4Chem Terminology Service Online

The NFDI4Chem Terminology Service release 1.0 has been launched!

FAIR data principles call for rich metadata using a formal, accessible, shared, and broadly applicable language for knowledge representation. Natural language words and phrases are ambiguous, which makes annotating data with their meanings difficult. Here we can achieve a significant improvement by applying domain-specific terminologies which allow us to unambiguously annotate data. Standardised vocabularies mapped across the various disciplines enable real data interoperability, discovery and exploitation beyond our own domain. The NFDI4Chem Terminology Service provides such chemistry-specific terminologies, thus enabling researchers and software or services of NFDI4Chem to create machine- and human-readable descriptions of research data.

NFDI4Chem Article Published in “Bausteine Forschungsdatenmanagement”

Find out more about our goals, planned improvements and challenges.

The article, published in German, appeared in the 2/2021 issue of the Journal “Bausteine Forschungsdatenmanagement” and gives an introduction of NFDI4Chem as part of the special NFDI issue. It summarises our main tasks in the first project phase and discusses major improvements for RDM in chemistry. Interested? Read the full text of the open-access publication on the publisher’s website.

Repositories in Profile

For chemists, it is crucial to know the advantages of different data repositories in order to find the best fit for their research data requirements. In this newsletter, we provide a brief overview of MassBank EU as part of our series “repositories in profile”.

MassBank EU - High Quality Mass Spectral Database

Basic information

Homepage: https://massbank.eu/MassBank/
Creation date: 2006
Country: DE, JPN
Domain: Chemistry, Life Science
Usage: Open Access

Diamond Open Access Publishing

Have you heard about diamond (also known as platinum) open access publishing?

Despite its flashy name, the concept is simple: articles are published open access and thus freely available for anyone to read, share and redistribute, and there are NO fees whatsoever for the author, their university or their funding agency to publish the article.
According to the recent study commissioned by cOAlition S, there are over 29,000 diamond open access journals worldwide – together, these journals publish 44% of the total open access content and 8–9% of the total number of scholarly articles.
Where to start to find these journals? Although all open access journals are not listed here, a great resource for finding reputable journals is the Directory of Open Access Journals (DOAJ) database. Here, an extra filter (“Without article processing charges (APCs)”) can be applied to identify diamond open access journals.
At the Beilstein-Institut two of such journals – the Beilstein Journal of Organic Chemistry and the Beilstein Journal of Nanotechnology – are supported. If there are any questions about these journals or diamond open access in general, please feel free to get in touch.

GDCh Published New Recommendations for the Bachelor's Degree in Chemistry at Universities

Quite in our spirit: Focus on digital teaching and research data management

The chemistry study commission of the GDCh published updated recommendations for the Bachelor's degree in chemistry at universities in September. Particular importance was ascribed to teaching data literacy as early as in Bachelor studies. Read the recommendations and find out more!

"FAIRThesis" is Funded by the FCI

Funding focused on establishing aspects of digitalisation in chemical education.
The teaching project "FAIRThesis" of Prof. Sonja Herres-Pawlis (RWTH Aachen University) and Dr. Nicole Jung (KIT) is supported by the Fonds der Chemischen Industrie (FCI). This project focuses on the digitalisation of research data from research internships and bachelor theses and the processing of FAIR research data in the electronic laboratory journal Chemotion. In addition, students will be provided with in-depth knowledge of research data management and the electronic laboratory journal.

Event Throwback

Minimum information standards, NFDI4Chem takes the international stage - Part I

Efforts for the development of minimum information standards for research data in chemistry have to be addressed in an international context. Thus, Dr. Johannes Hunold (TIB) presented NFDI4Chem’s vision for terminologies and semantic annotation of research data in the “Gold Book project session'' dedicated to the IUPAC Compendium of Chemical Terminology (informally known as "Gold Book") at the 51st IUPAC General Assembly, from August 9-15. In his talk Dr. Hunold outlined the impact and interdependence of the current development of chemistry terminologies and a terminology service by NFDI4Chem on the latest activities around the Gold Book. Participants of the session thoroughly discussed ...

NFDI4Chem & friends session at the GDCh-Wissenschaftsforum Chemie 2021

The GDCh-Wissenschaftsforum Chemie is one of the major conferences for chemists in Germany. NFDI4Chem organised a special session on September 1, 2021, which assembled all consortia who are chemistry-based or -related such as NFDI4Cat, FAIRMat, DAPHNE4NFDI and NFDIMatWerk. All consortia are open to intensive collaborations. In the afternoon session a workshop on electronic lab notebooks was held to inform participants about the technical possibilities regarding SmartLabs.

Upcoming Events

Minimum information standards, NFDI4Chem takes the international stage - Part II

Following the 51st IUPAC General Assembly and the discussions there on the development of minimum information standards for research data in chemistry, the Chemistry Research Data IG (CRDIG) has organised the panel discussion "Developments in the Digital Chemistry Space: An Update" as part of the virtual 18th RDA Plenary Meeting from November 3-18. The panel will feature a series of lightning talks by projects dedicated to open science and FAIR data in chemistry. NFDI4Chem will contribute a presentation on the future visioning for CRDIG, how to effectively and actively bridge between RDA and other activities in the digital chemistry space.
Together with PSDS (Physical Sciences Data science Service, UK), IUPAC projects, InChI, SMILES+, Machine-Accessible Periodic Table, FAIRSpec, Gold Boo, and UK Catalysis Hub we aim to identify and discuss common issues, alignments, and opportunities and receive input and feedback. Early Bird registration for the 18th RDA Plenary is open until October 25.

Second NFDI4Chem talk with Luc Patiny

On October 12 at 16.00 CEST, Luc Patiny (Zakodium) will talk about browser applications for chemical data in our NFDI4Chem Talk Series. Don’t miss it! Registration is open.

Chemotion/NFDI4Chem "Stammtisch"

Dr. Gerd Blanke & collaborators have already given four presentations during the short InChI series within the “Stammtisch”. Don’t miss the next part of this series on StereoInChI on October 29 and sign up now! Afterwards, we will start a new series within the “Stammtisch” on ELNs with Dr. Nicolas Carpi who will talk about eLabFTW on November 26.
In the meantime, you can find recordings of the last presentations on our website. These presentations serve as an introduction for the main, unrecorded part of the “Stammtisch”: the open and wide discussion, in which you can comment and contribute!

Chemotion ELN Q&A Session

As currently many working groups are installing and starting to use Chemotion, we decided to offer a new format: The virtual Chemotion ELN Q&A Session started in July.
chemotion logo
Every second Thursday at 15.00 CEST, members of our Chemotion team will give general introductions and answer questions on Chemotion via Zoom. During registration you can indicate which topics should be covered. Don’t miss this opportunity to ask your questions! The next Q&A Session is scheduled for October 7 at 15.00 CEST.

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Contact: Prof. Christoph Steinbeck
Email: contact@nfdi4chem.de
Phone: +493641948171
Website: https://nfdi4chem.de
Friedrich Schiller University Jena
Lessingstr. 8
07743 Jena
NFDI4Chem is supported by DFG under project number 441958208