Goethe University Data Repository (GUDe)

The archiving and publication platform for scientific research data at Goethe University Frankfurt.


The Goethe University Data Repository (GUDe) provides a platform for its members to electronically archive, share, and publish their research data. GUDe is jointly operated by the University Library and the University Data Center of the Goethe University. The metadata of all public content is freely available and indexed by search engines as well as scientific web services. GUDe follows the FAIR principles for long-term accessibility (minimum 10 years), allows for reliable citation via DOIs as well as cooperative access to non-public data and operates on DSpace-CRIS v7.

If you have any questions regarding the use of GUDe, please consult the user documentation.

 
Research Data
143
Organisations
200
Projects
21
People
201
Recent Additions
  • Research Data
    Maziar-Migration-Database-2024
    This study delves into the question of whether archaeologists exhibit a particular fascination with crises and how this fascination relates to their study of climate change and migration. Archaeological research has increasingly examined the role of climate change in the collapse of past societies, representing a captivating area of scholarly inquiry. In the same vein, the concept of migration has often been framed as a crisis or a crisis-induced event triggered by factors such as climate change, resource depletion, or population pressure. However, a deeper examination, incorporating insights from humanist and motivational psychology, underscored by ‘expectancy theory’, unveils a nuanced facet of human decision-making. This approach suggests that individuals often make choices based on their perceptions of value and anticipated outcomes, which may not always align with strictly rational evidence or organised rules, leading to impulsive or seemingly random decisions. In the context of climate migration, this means that individuals’ decisions to migrate may be influenced by a complex interplay of factors beyond the crisis narrative. By examining various case studies, this research challenges the prevailing narrative that frames migration primarily as a crisis event. In addition, this representation highlights the critical concept of positionality in archaeology, emphasising the need for researchers to reflect on their own biases and perspectives when interpreting archaeological data and drawing conclusions about past societies. This exploration encourages a more comprehensive and thoughtful approach to archaeological research that recognises the multidimensional nature of human behaviour and the role of archaeologists in shaping our understanding of the past.
      13  1
  • Research Data
    DNP-enhanced magic angle spinning solid-state NMR spectroscopy to determine RNA-ligand interactions
    2025-10-10
    Nussbaumer, Felix
    Plangger, Raphael
    Wacker, Anna
    Jonker, Henry R.A
    Schwalbe, Harald
    Understanding the molecular recognition underlying RNA-ligand complex formation is of key importance to explain RNA regulatory function of riboswitches and to support the development of low molecular weight RNA binders as starting points for RNA-targeting drugs. Here, we report magic-angle spinning solid-state NMR spectroscopic studies enhanced by dynamic nuclear polarization (MAS-DNP) to determine the molecular recognition of a ligand-RNA riboswitch complex. We benchmarked different labeling strategies for four large RNAs (70-86 nt) of the aptamer domain of a 2’deoxyguanosine-sensing riboswitch from Mesoplasma florum. Samples were either prepared by chemo-enzymatic approaches or by solid-phase chemical RNA synthesis employing different labeling schemes of riboswitches of up to 86 nucleotides. RNA-ligand complexes were prepared by addition of their cognate metabolite. We show that nucleotide- and ligand-selective labeling are a prerequisite for the MAS-DNP studies to reduce the NMR signal overlap present in such large RNAs. We further extend site-specific labeling to atom-specific labeling that allowed us to derive the structure of the ligand binding pocket extending the application of 2D-13C,15N-TEDOR experiments. The work described here opens the avenue for the investigation of large RNA-ligand complexes by MAS-DNP.
      50  1
  • Research Data
    Dispersion kinks from electronic correlations in an unconventional iron-based superconductor
    2024-11-17
    Chang, Ming-Hua
    Backes, Steffen
    Lu, Donghui
    Gauthier, Nicolas
    Hashimoto, Makoto
    Chen, Guan-Yu
    Wen, Hai-Hu
    Mo, Sung-Kwan
    Valentí, Roser
    Pfau, Heike
    The attractive interaction in conventional BCS superconductors is provided by a bosonic mode. However, the pairing glue of most unconventional superconductors is unknown. The effect of electron-boson coupling is therefore extensively studied in these materials. A key signature is dispersion kinks that can be observed in the spectral function as abrupt changes in velocity and lifetime of quasiparticles. Here, we show the existence of two kinks in the unconventional iron-based superconductor RbFe2As2 using angle-resolved photoemission spectroscopy (ARPES) and dynamical mean field theory (DMFT). In addition, we observe the formation of a Hubbard band multiplet due to the combination of Coulomb interaction and Hund’s rule coupling in this multiorbital system. We demonstrate that the two dispersion kinks are a consequence of these strong many-body interactions. This interpretation is in line with a growing number of theoretical predictions for kinks in various general models of correlated materials. Our results provide a unifying link between iron-based superconductors and different classes of correlated, unconventional superconductors such as cuprates and heavy-fermion materials.
      5
  • Research Data
    Observation of Two Cascading Screening Processes in an Iron-based Superconductor
    2025-07-22
    Chang, Ming-Hua
    Backes, Steffen
    Lu, Donghui
    Gauthier, Nicolas
    Hashimoto, Makoto
    Chen, Guan-Yu
    Wen, Hai-Hu
    Mo, Sung-Kwan
    Shen, Zhi-Xun
    Valentí, Roser
    Pfau, Heike
    Understanding how renormalized quasiparticles emerge in strongly correlated electron materials provides a challenge for both experiment and theory. It has been predicted that distinctive spin and orbital screening mechanisms drive this process in multiorbital materials with strong Coulomb and Hund’s interactions. Here, we provide the experimental evidence of both mechanisms from angle-resolved photoemission spectroscopy on RbFe2As2. We observe that the emergence of low-energy Fe 3dxy quasiparticles below 90K coincides with spin screening. A second process changes the spectral weight at high energies up to room temperature. Supported by theoretical calculations we attribute it to orbital screening of Fe 3d atomic excitations. These two cascading screening processes drive the temperature evolution from a bad metal to a correlated Fermi liquid.
      5  1
  • Research Data
    Influence of graphene on the electronic and magnetic properties of an iron(III) porphyrin chloride complex
    Although iron-based single atom catalysts are regarded as a promising alternative to precious metal catalysts, their precise electronic structures during catalysis still pose challenges for computational descriptions. A particularly urgent question is the influence of the environment on the electronic structure, and how to describe this properly with computational methods. Here, we study an iron porphyrin chloride complex adsorbed on a graphene sheet using density functional theory calculations to probe how much the electronic structure is influenced by the presence of a graphene layer. Our results indicate that weak interactions due to van der Waals forces dominate between the porphyrin complex and graphene, and only a small amount of charge is transferred between the two entities. Furthermore, the interplay of the ligand field environment, strong p-d hybridization, and correlation effects within the complex are strongly involved in determining the spin state of the iron ion. By bridging molecular chemistry and solid state physics, this study provides first steps towards a joint analysis of the properties of iron-based catalysts from first principles.
      1  7
Most viewed
  • Research Data
    The global water resources and use model WaterGAP v2.2e - model output driven by gswp3-w5e5 and historical setup of direct human impacts
    2023-10-20
    Trautmann, Tim
    Ackermann, Sebastian
    Cáceres, Denise
    Flörke, Martina
    Gerdener, Helena
    Kynast, Ellen
    Peiris, Thedini Asali
    Schiebener, Leonie
    Schumacher, Maike
    Assessing global freshwater resources and human water use is of value for a number of needs but challenging. The global water use and water availability model WaterGAP has been in development since 1996 and has served a range of applications such as assessments of global water resources and water stress, also under the impact of climate change, drought hazard quantification, Life Cycle Assessments, water (over)use and consequently depletion of water resources and a better understanding of terrestrial water storage variations (jointly with satellite observations). Here, the reader can download model output for the time period 1901-2019 that was computed by driving WaterGAP v2.2e by four alternative climate datasets (climate forcings) that were generated in the ISIMIP context (https://www.isimip.org) and are described in https://data.isimip.org/10.48364/ISIMIP.982724. For two climate datasets, model runs up to 2021 or 2022 are available. For comparison, output of a version of WaterGAP v2.2d that is calibrated to the same dataset of observed streamflow as WaterGAP v2.2e is provided. Each of the climate forcing-model version combinations is run in two socio-economic settings, histsoc and nosoc. In nosoc, human water use is set to zero and man-made reservoirs are assumed to be non-existant. In the paper connected to this dataset (to be submitted to Geoscientific Model Development), the newest model version, WaterGAP v2.2e is described by providing the modifications to the previous version v2.2d (Müller Schmied et al. 2021) and the corresponding changes in model output. The most important and requested model outputs (total water storage variations, streamflow and water use) are evaluated against observation data. Standard model output is described as well as the specifics of the WaterGAP contribution within the ISIMIP framework. Müller Schmied, H., Cáceres, D., Eisner, S., Flörke, M., Herbert, C., Niemann, C., Peiris, T. A., Popat, E., Portmann, F. T., Reinecke, R., Schumacher, M., Shadkam, S., Telteu, C.-E., Trautmann, T., Döll, P. (2021): The global water resources and use model WaterGAP v2.2d: Model description and evaluation. Geosci. Model Dev., 14, 1037–1079. https://doi.org/10.5194/gmd-14-1037-2021
      1082  624
  • Research Data
    The global water resources and use model WaterGAP v2.2e - model output driven by gswp3-era5 and historical setup of direct human impacts
    2023-10-20
    Trautmann, Tim
    Ackermann, Sebastian
    Cáceres, Denise
    Flörke, Martina
    Gerdener, Helena
    Kynast, Ellen
    Peiris, Thedini Asali
    Schiebener, Leonie
    Schumacher, Maike
    Assessing global freshwater resources and human water use is of value for a number of needs but challenging. The global water use and water availability model WaterGAP has been in development since 1996 and has served a range of applications such as assessments of global water resources and water stress, also under the impact of climate change, drought hazard quantification, Life Cycle Assessments, water (over)use and consequently depletion of water resources and a better understanding of terrestrial water storage variations (jointly with satellite observations). Here, the reader can download model output for the time period 1901-2019 that was computed by driving WaterGAP v2.2e by four alternative climate datasets (climate forcings) that were generated in the ISIMIP context (https://www.isimip.org) and are described in https://data.isimip.org/10.48364/ISIMIP.982724. For two climate datasets, model runs up to 2021 or 2023 are available. For comparison, output of a version of WaterGAP v2.2d that is calibrated to the same dataset of observed streamflow as WaterGAP v2.2e is provided. Each of the climate forcing-model version combinations is run in two socio-economic settings, histsoc and nosoc. In nosoc, human water use is set to zero and man-made reservoirs are assumed to be non-existant. In the paper connected to this dataset (in review with Geoscientific Model Development), the newest model version, WaterGAP v2.2e is described by providing the modifications to the previous version v2.2d (Müller Schmied et al. 2021) and the corresponding changes in model output. The most important and requested model outputs (total water storage variations, streamflow and water use) are evaluated against observation data. Standard model output is described as well as the specifics of the WaterGAP contribution within the ISIMIP framework. Müller Schmied, H., Cáceres, D., Eisner, S., Flörke, M., Herbert, C., Niemann, C., Peiris, T. A., Popat, E., Portmann, F. T., Reinecke, R., Schumacher, M., Shadkam, S., Telteu, C.-E., Trautmann, T., Döll, P. (2021): The global water resources and use model WaterGAP v2.2d: Model description and evaluation. Geosci. Model Dev., 14, 1037–1079. https://doi.org/10.5194/gmd-14-1037-2021
      616  729
  • Research Data
    A j_eff 12 Kitaev material on the triangular lattice: The case of NaRuO2
    Motivated by recent reports of a quantum disordered ground state in the triangular lattice compound NaRuO$_2$, we derive a $j_{\rm eff}=1/2$ magnetic model for this system by means of first-principles calculations. The pseudospin Hamiltonian is dominated by bond-dependent off-diagonal $\Gamma$ interactions, complemented by a ferromagnetic Heisenberg exchange and a notably \emph{antiferromagnetic} Kitaev term. In addition to bilinear interactions, we find a sizable four-spin ring exchange contribution with a \emph{strongly anisotropic} character, which has been so far overlooked when modeling Kitaev materials. The analysis of the magnetic model, based on the minimization of the classical energy and exact diagonalization of the quantum Hamiltonian, points toward the existence of a rather robust easy-plane ferromagnetic order, which cannot be easily destabilized by physically relevant perturbations.
      353  39
  • Research Data
    The global water resources and use model WaterGAP v2.2e - daily water storage model output driven by gswp3-era5 and historical setup of direct human impacts
    2024-04-04
    Trautmann, Tim
    Ackermann, Sebastian
    Cáceres, Denise
    Flörke, Martina
    Gerdener, Helena
    Kynast, Ellen
    Peiris, Thedini Asali
    Schiebener, Leonie
    Schumacher, Maike
    Assessing global freshwater resources and human water use is of value for a number of needs but challenging. The global water use and water availability model WaterGAP has been in development since 1996 and has served a range of applications such as assessments of global water resources and water stress, also under the impact of climate change, drought hazard quantification, Life Cycle Assessments, water (over)use and consequently depletion of water resources and a better understanding of terrestrial water storage variations (jointly with satellite observations). Here, the reader can download daily model output for water storage variables for the time period 1901-2019 (2023) that was computed by driving WaterGAP v2.2e by two alternative climate datasets (climate forcings) that were generated in the ISIMIP context (https://www.isimip.org) and are described in https://data.isimip.org/10.48364/ISIMIP.982724. In the paper connected to this dataset (in review with Geoscientific Model Development), the newest model version, WaterGAP v2.2e is described by providing the modifications to the previous version v2.2d (Müller Schmied et al. 2021) and the corresponding changes in model output. Here, the single water storage compartments and terrestrial (total) water storage are provided.
      280  142
  • Research Data
    Section-Type Constraints on the Choice of Linguistic Mechanisms in Research Articles: A Corpus-Based Approach
    This thesis investigates the structure of research articles in the field of Computational Linguistics with the goal of establishing that a set of distinctive linguistic features is associated with each section type. The empirical results of the study are derived from the quantitative and qualitative evaluation of research articles from the ACL Anthology Corpus. More than 20,000 articles were analyzed for the purpose of retrieving the target section types and extracting the predefined set of linguistic features from them. Approximately 1,100 articles were found to contain all of the following five section types: abstract, introduction, related work, discussion, and conclusion. These were chosen for the purpose of comparing the frequency of occurrence of the linguistic features across the section types. Making use of frameworks for Natural Language Processing, the Stanford CoreNLP Module, and the Python library SpaCy, as well as scripts created by the author, the frequency scores of the features were retrieved and analyzed with state-of-the-art statistical techniques. The results show that each section type possesses an individual profile of linguistic features which are associated with it more or less strongly. These section-feature associations are shown to be derivable from the hypothesized purpose of each section type. Overall, the findings reported in this thesis provide insights into the writing strategies that authors employ so that the overall goal of the research paper is achieved. The results of the thesis can find implementation in new state-of-the-art applications that assist academic writing and its evaluation in a way that provides the user with a more sophisticated, empirically based feedback on the relationship between linguistic mechanisms and text type. In addition, the potential of the identification of text-type specific linguistic characteristics (a text-feature mapping) can contribute to the development of more robust language-based models for disinformation detection.
      256  10