A5044665668- Research Data Management Practices
- Scientific Computing and Data Management
- Radical Photochemical Reactions
- Geochemistry and Geologic Mapping
- Mass Spectrometry Techniques and Applications
- Sulfur-Based Synthesis Techniques
- Innovative Microfluidic and Catalytic Techniques Innovation
- Catalytic C–H Functionalization Methods
- Organic Light-Emitting Diodes Research
- Data Quality and Management
- Particle Detector Development and Performance
- Advanced Photocatalysis Techniques
- Biomedical Text Mining and Ontologies
- Analytical Chemistry and Chromatography
- Molecular Junctions and Nanostructures
- Health, Environment, Cognitive Aging
- Photochemistry and Electron Transfer Studies
Helmholtz Centre for Environmental Research
2025
Leibniz Institute of Plant Biochemistry
2022-2024
RWTH Aachen University
2024
Johannes Gutenberg University Mainz
2024
Karlsruhe Institute of Technology
2024
Friedrich Schiller University Jena
2024
Technische Universität Braunschweig
2024
FIZ Karlsruhe – Leibniz Institute for Information Infrastructure
2024
Technische Informationsbibliothek (TIB)
2024
Leipzig University
2018-2021
The targeted choice of specific photocatalysts has been shown to play a critical role for the successful realization challenging photoredox catalytic transformations. Herein, we demonstrate implementation rational design strategy series deliberate structural manipulations cyanoarene-based, purely organic donor-acceptor photocatalysts, using 1,2,3,5-tetrakis(carbazol-9-yl)-4,6-dicyanobenzene (4CzIPN) as starting point. Systematic modifications both donor substituents well acceptors' molecular...
Abstract Asymmetrically substituted tertiary phosphines and quaternary phosphonium salts are used extensively in applications throughout industry academia. Despite their significance, classical methods to synthesize such compounds often demand either harsh reaction conditions, prefunctionalization of starting materials, highly sensitive organometallic reagents, or expensive transition‐metal catalysts. Mild, practical thus remain elusive, despite being great current interest. Herein, we...
Analytical data in chemistry and other disciplines is usually generated different formats lacks common metadata standards that are necessary for a FAIR handling of research data. In the work presented herein, we describe workflow uses non-standardized, some cases proprietary, from cyclic voltammetry measurements coming individual devices as an instructive example, to yield open, standardized annotated with rich metadata. The includes concepts, software infrastructure can be used support...
Abstract Research data is an essential part of research and almost every publication in chemistry. The itself can be valuable for reuse if sustainably deposited, annotated archived. Thus, it important to publish following the FAIR principles, make findable, accessible, interoperable reusable not only humans but also machine-readable form. This improves transparency reproducibility findings fosters analytical work with scientific generate new insights, being accessible manifold diverse...
Abstract As the primary method of communicating research results, journals garner an enormous impact on community behavior. Publishing underlying data alongside journal articles is widely considered good scientific practice. Ideally, and their publishers place these recommendations or requirements in author guidelines policies. Several efforts are working to improve infrastructure, processes, uptake sharing, including NFDI4Chem consortium, groups within RDA, IUPAC, WorldFAIR Chemistry...
The progress of the DFG-funded NFDI4Chem consortium (NFDI 4/1 - project number 441958208) in data management chemistry is outlined our latest report, highlighting steps we have taken to integrate a data-centric approach within community. This interim report offers comprehensive overview activities, covering reporting period from October 2020 August 2023. shift digital tools research documentation driven by work with Electronic Laboratory Notebooks (ELNs), such as Chemotion ELN, offering...
We analyze internal transition rates and the singlet-triplet energy gap of thermally activated delayed fluorescence (TADF) molecule 3CzClIPN, which recently was introduced as an efficient photocatalyst. Distribution origin non-monoexponential decays, are commonly observed in TADF films, revealed by analysis transient with inverse Laplace transform. A numerically robust global rate fit routine, extracts all relevant parameters modeling complete set data, is introduced. To compare verify...
Analytical data in chemistry and other disciplines is usually generated different formats lacks common metadata standards that are necessary for a FAIR handling of research data. In the work presented herein, we describe workflow uses non-standardized, some cases proprietary from cyclic voltammetry measurements coming individual devices as an instructive example, to yield open, standardized annotated with rich metadata. The includes concepts, software infrastructure can be used support whole...
Abstract By the on-chip integration of a droplet generator in front an emitter tip, droplets non-polar solvents are generated free jet aqueous matrix. When IR laser irradiates this liquid consisting water as continuous phase and solvent dispersed phase, solutes ionized. This ionization at atmospheric pressure enables mass spectrometric analysis compounds with aid surrounding matrix that absorbs light. works both for such n -heptane non-miscible like chloroform. In proof concept study,...
Abstract The visible-light photocatalytic E / Z isomerization of olefins can be mediated by a wide spectrum triplet sensitizers (photocatalysts). However, the search for most efficient photocatalysts through screenings in photo batch reactors is material and time consuming. Capillary microchip flow accelerate this screening process. Combined with fast analytical technique isomer differentiation, these enable high-throughput analyses. Ion mobility (IM) spectrometry cost-effective that allows...
The collection of metadata for research data is an important aspect in the FAIR principles. schema.org and Bioschemas initiatives created a vocabulary to embed markup many different types, including BioChemEntity, ChemicalSubstance, Gene, MolecularEntity, Protein, others relevant Natural Life Sciences with immediate benefits findability packages. To bridge gap between worlds semantic-web-driven JSON+LD on one hand, established but separately developed interface services libraries, we have...