Browsing by Type "Dataset"
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- Research Data1H, 13C and 15N chemical shift assignment for stem-loop 5a from the 5‘UTR of HCoV-229E2025-06-18Due to the emergence of the SARS-CoV-2 virus, research on coronaviruses has been massively accelerated. In addition to SARS-CoV-2, there are other human infectious coronaviruses, including HCoV-229E. In all coronaviruses, secondary structure predictions indicate the presence of conserved structural elements in the 5'-untranslated region (5'-UTR). These conserved elements play crucial roles in RNA translation and replication. Stem-loop 5 (SL5), consisting of three substructures (5a, 5b, 5c), is highly conserved and harbours the start codon for viral translation. SL5 has repetitive structural motifs (RSMs), 5'-UUYYGU-3', which are conserved in many Alpha- and Betacoronaviruses. In the following, we present the 1H, 13C and 15N NMR resonance assignment of the SL5a RNA element from HCoV-229E and variations in the RSMs to show the effect of loop mutations on the structure of the hexaloop, revealing the different impact of each loop nucleotide on RNA dynamics.
16 2 - Research Data8x8 Patch-Antenna-Coupled TeraFET Detector Array for Terahertz Quantum-Cascade-Laser Applications2024-07-31North, Nicholas K.Horbury, Michael D.Kondawar, SanchitKundu, ImonSalih, MohammedKrysl, AnastasiyaLi, LianheLinfield, Edmund H.Freeman, Joshua R.Valavanis, AlexanderLisauskas, AlvydasRoskos, Hartmut G.Monolithically integrated, antenna-coupled field-effect transistors (TeraFETs) are rapid and sensitive detectors for the terahertz range (0.3-10 THz) that can operate at room temperature. We conducted experimental characterizations of a single patch-antenna coupled TeraFET optimized for 3.4 THz operation and its integration into an 8×8 multi-element detector configuration. In this configuration, the entire TeraFET array operates as a unified detector element, combining the output signals of all detector elements. Both detectors were realized using a mature commercial Si-CMOS 65-nm process node. Our experimental characterization employed single-mode Quantum-Cascade Lasers (QCLs) emitting at 2.85 THz and 3.4 THz. The 8x8 multi-element detector yields two major improvements for sensitive power detection experiments. First, the larger detector area simplifies alignment and enhances signal stability. Second, the reduced detector impedance enabled the implementation of a TeraFET+QCL system capable of providing a -3 dB modulation bandwidth up to 21 MHz, which is currently limited primarily by the chosen readout circuitry. Finally, we validate the system’s performance by providing high resolution gas spectroscopy data for methanol vapor around 3.4 THz, where a detection limit of 1.6e-5 absorbance, or 2.6e11 molecules/cm3 was estimated under optimal coupling conditions.
90 8 - Research DataA j_eff 12 Kitaev material on the triangular lattice: The case of NaRuO22023-06-07Motivated 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.
343 39 - Research DataAb initio study of highly tunable charge transfer in β-RuCl3/graphene heterostructures2024-06-25Heterostructures of graphene in proximity to magnetic insulators open the possibility to investigate exotic states emerging from the interplay of magnetism, strain and charge transfer between the layers. Recent reports on the growth of self-integrated atomic wires of $\beta$-RuCl$_3$ on graphite suggest these materials as versatile candidates to investigate these effects. Here we present detailed first principles calculations on the charge transfer and electronic structure of $\beta$-RuCl$_3$/graphene heterostructures and provide a comparison with the work function analysis of the related honeycomb family members $\alpha$-RuX$_3$ (X = Cl,Br,I). We find that proximity of the two layers leads to a hole-doped graphene and electron-doped RuX$_3$ in all cases, which is sensitively dependent on the distance between the two layers. Furthermore, strain effects due to lattice mismatch control the magnetization which itself has a strong effect on the charge transfer. Charge accumulation in $\beta$-RuCl$_3$ strongly drops away from the chain making such heterostructures suitable candidates for sharp interfacial junctions in graphene-based devices.
41 - Research DataAdditional WaterGAP v2.2e Model Outputs for Climate Change Impact Assessment on Global Water Resources2024-10-30Jackson, LorenzAssessing 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 periods 1850 to 2014 (historical) and 2015 to 2100 (SSP126, SSP585) that was computed by driving WaterGAP v2.2e by 5 GCM input datasets (climate forcings). Though not part of the official ISIMIP3b repository, these datasets adhere to ISIMIP guidelines and are stored here to support replication of analyses conducted in Lorenz Jackson's master’s thesis (2024) regarding potential future climate change impacts on global water resources (for details see the model description paper of v2.2e, currently accepted 10.5194/gmd-2023-213).
133 59 - Research DataAl-Mudhaybi Regional Survey: Field photos of the structures2023-09Edelmann, Pascal (DataCollector)Hofmann, Andreas (DataCollector)Hochrieser, Stefanie (DataCollector)Möbius, Merle (DataCollector)Maiorano, Maria Pia (DataCollector)Biezeveld, Irini (DataCollector)Billor, Beriwan (DataCollector)Grün, Fabian (DataCollector)Kluge, Jonas (DataCollector)Koch, Katharina (DataCollector)Mez, Nathalie (DataCollector)Schneider, Tamara (DataCollector)Zöchling, Antje (DataCollector)Juhas, Marcel (DataCollector)Özcelik, Taylan (DataCollector)Puerta-Schardt, Juan-Marco (DataCollector)Schweizer, Moyra (DataCollector)Schmidt, Conrad (DataCollector)Göbel, Jonas (DataCollector)Budzyn, Adrian (DataCollector)Werner, Jannis (DataCollector)Öztürk, Mahsa (DataCollector)Greven, Sofia (DataCollector)The Al-Mudhaybi Regional Survey was initiated to gain insights into settlement patterns, their development, and the causes of significant social changes in Central Oman, particularly during the 3rd millennium BCE. This was achieved through a combination of survey methods (remote sensing based on satellite imagery with ground-truthing and intensive systematic surveys in north-south transects) as well as small-scale excavations. The results challenged the previous notion of traditional settlement hierarchies and a predominantly sedentary, agriculture-based society in Central Oman, especially during the Early Bronze Age (Umm an-Nar period). In-stead, a complex network of temporary sites emerged, utilized at various times and for different activities. Another significant finding is that the interior of Oman was more heavily frequented during the Neolithic period than previously believed. Additionally, contrary to prior assumptions, the Middle Bronze Age (Wadi Suq period) does not represent a period of decline and shares similarities in its development with the northern regions of the Omani Peninsula. These findings can contribute to raising awareness of the diversity of human lifestyles overall, particularly highlighting the cultural achievements of mobile communities.
129 70 - Research DataAssessing Groundwater Drought Hazard in Groundwater Depletion Regions: Recommendations for Large-scale Drought Early Warning Systems - Data set2024-08-14In groundwater depletion (GWD) regions, negative trends in groundwater storage (GWS) are problematic for groundwater drought detection, since they mask climate-induced drought signals. As this is not yet considered in any large-scale drought early warning system (LDEWS), we used GWS from the global hydrological model WaterGAP 2.2e to investigate, for the first time at the global scale, how groundwater drought can best be quantified in GWD regions. We analyzed two methods: 1) Linear detrending of monthly GWS time series and 2) analysis of naturalized GWS computed by assuming no human water use. We found that linear detrending is unsuitable for global-scale groundwater drought monitoring and forecasting as even small deviations from a pronounced linear trend can lead to a systematic over- and underestimation of the drought hazard. In contrast, indicators from naturalized GWS can identify climate-induced GWS anomalies. Here, the reader can download 1) monthly time series of GWS_nat during 1980-2019, 2) groundwater drought hazard indicators assessed in the study, 3) the R scripts for computing the indicators and other data (including required input data), and 4) WaterGAP-related data (e.g., landmask, big cities), and other meta data (e.g., GWD grid cells and LTC grid cells). WaterGAP 2.2e model output from an anthropogenic model run is available at https://doi.org/10.25716/GUDE.0TNY-KJPG.
27 5 - Research DataBound-state formation and thermalization within the Lindblad approach2025-03-11The Lindblad master equation is a frequently used Markovian approach to describe open quantum systems in terms of the temporal evolution of a reduced density matrix. Here, the thermal environ- ment is traced out to obtain an expression to describe the evolution of what is called a system: one particle or a chain of interacting particles, which is/are surrounded by a thermal heat bath. In this work, we investigate the formation of non-relativistic bound states, involving the P¨oschl- Teller potential, in order to discuss the formation time and the thermal equilibrium, applying scales from nuclear physics. This problem is borrowed from the field of heavy-ion collisions, where the deuteron is a probe which is measured at temperature regimes around the chemical freeze out temperature, while the deuteron itself has a binding energy which is much lower. This is known and often described as a “snowball in hell”. We use a reformulated Lindblad equation, in terms of a diffusion-advection equation with sources and therefore provide a hydrodynamical formulation of a dissipative quantum master equation
17 7 - Research DataClimate forcing GSWP3-ERA5 as input for the global hydrological model WaterGAP2024-06-19This dataset contains the climate data for the 4 variables (pr, tas, rsds, rlds) to run the Python-Version of WaterGAP. For details please see the ReWaterGAP documentation (https://hydrologyfrankfurt.github.io/ReWaterGAP/).
211 99 - Research DataColossal magnetoresistance in EuZn2P2 and its electronic and magnetic structure2023-07-12We investigate single crystals of the trigonal antiferromagnet EuZn2P2 (P-3m1) by means of electrical trans- port, magnetization measurements, x-ray magnetic scattering, optical reflectivity, angle-resolved photoemission spectroscopy (ARPES), and ab initio band structure calculations (DFT + U ). We find that the electrical resistivity of EuZn2P2 increases strongly upon cooling and can be suppressed in magnetic fields by several orders of magnitude (colossal magnetoresistance effect). Resonant magnetic scattering reveals a magnetic ordering vector of q = (0 0 1/2 ), corresponding to an A-type antiferromagnetic order, below TN = 23.7 K. We find that the moments are canted out of the a-a plane by an angle of about 40° ± 10° and aligned along the [100] direction in the a-a plane. We observe nearly isotropic magnetization behavior for low fields and low temperatures which is consistent with the magnetic scattering results. The magnetization measurements show a deviation from the Curie-Weiss behavior below ≈150 K, the temperature below which also the field dependence of the material’s resistivity starts to increase. An analysis of the infrared reflectivity spectrum at T = 295 K allows us to resolve the main phonon bands and intraband and interband transitions, and estimate indirect and direct band gaps of E_opt,i = 0.09 and E_opt,d = 0.33 eV, respectively, which are in good agreement with the theoretically predicted ones. The experimental band structure obtained by ARPES is nearly T independent above and below T_N . The comparison of the theoretical and experimental data shows a weak intermixing of the Eu 4f states close to the point with the bands formed by the phosphorous 3p orbitals leading to an induction of a small magnetic moment at the P sites.
62 6 - Research DataData for Figures 1 to 4 of Conference Proceeding2025-03-10The Lindblad master equation is a frequently used Markovian approach to describe open quantum systems in terms of the temporal evolution of a reduced density matrix. Here, the thermal environment is traced out to obtain an expression to describe the evolution of what is called a system: one particle or a chain of interacting particles, which is/are surrounded by a thermal heat bath. In this work, we investigate the formation of non-relativistic bound states, involving the Pöschl-Teller potential, in order to discuss the formation time and the thermal equilibrium, applying scales from nuclear physics. This problem is borrowed from the field of heavy-ion collisions, where the deuteron is a probe which is measured at temperature regimes around the chemical freeze out temperature, while the deuteron itself has a binding energy which is much lower. This is known and often described as a ``snowball in hell". We use a reformulated Lindblad equation, in terms of a diffusion-advection equation with sources and therefore provide a hydrodynamical formulation of a dissipative quantum master equation.
30 3 - Research DataData for Inflammatory biotype of ADHD is linked to chronic stress: a data-driven analysis of the inflammatory pro-teome2023Protein Data and Grouping variable for the Article "Inflammatory biotype of ADHD is linked to chronic stress: a data-driven analysis of the inflammatory proteome" published in Translational Psychiatry
96 18 - Research DataData for the figures of the manuscript: A view on recent ice-nucleating particle intercomparison studies: Why the uncertainty of the activation conditions matters2024-12-02The data file contains an excel sheet entailing the data that was used to produce the figures of the manuscript: "A view on recent ice-nucleating particle intercomparison studies: Why the uncertainty of the activation conditions matters", which will be submitted to the journal "Atmospheric Measurement Techniques". As the heterogeneous nucleation of ice-nucleating particles (INPs) is highly sensitive to the activation conditions, small changes in the nucleation temperature may result in significantly different numbers of activated INPs. In the manuscript we investigate the effect of errors in the temperature measurement of INP counters on the reported INP concentration. Further, we compare the uncertainty resulting from the temperature error to differences observed in recent INP intercomparison studies.
56 7 - Research DataData for: Influence of magnetism, strain and pressure on the band topology of EuCd2As22023-11-08Motivated by the wealth of proposals and realizations of nontrivial topological phases in EuCd2As2, such as a Weyl semimetallic state and the recently discussed semimetallic versus semiconductor behavior in this system, we analyze in this work the role of the delicate interplay of Eu magnetism, strain and pressure on the realization of such phases. For that we invoke a combination of a group theoretical analysis with ab initio density functional theory calculations and uncover a rich phase diagram with various non-trivial topological phases beyond a Weyl semimetallic state, such as axion and topological crystalline insulating phases, and discuss their realization.
31 3 - Research DataDataset from "Seasonal analysis of organic aerosol composition resolves anthropogenic and biogenic sources at a rural background station in central Europe"2025-05-08Organic aerosol (OA) has a significant impact on Earth’s climate and human health, while its chemical composition remains largely unknown. A detailed analysis of the chemical composition of particulate matter (PM) can identify origins, sources and transformation pathways and reveal mitigation potential for the anthropogenic organic fraction. Here, we follow a top-down molecular resolution approach of source attribution of organic compounds in PM2.5 at a rural background station in central Europe. One year of PM filters were measured using ultra high-performance liquid chromatography coupled to electrospray ionisation high-resolution Orbitrap mass spectrometry. Non-target analysis detected over 6,000 compounds, which hierarchical cluster analysis separated into a biogenic and an anthropogenic compound cluster. Compounds of the biogenic cluster make up a large part of SOA during summer, indicating strong local influence by the vegetation. Anthropogenic compounds are relatively enriched during colder conditions, with temporarily strong transport of air pollution. Concentration-weighted trajectories show the air mass origins of these pollution events and allow for an interpretation of potential sources.
23 4 - Research DataEffect of stem design and positioning on the leg axis after total hip arthroplasty: a secondary analysis2024Abstract: Background/Objectives: Various parameters, like femoral offset and leg length, are associated with good patient outcomes after total hip arthroplasty. In this prospective study, the effects of stem design, its placement in the proximal femur and the resulting femoral offset on the total leg axis were investigated. Methods: The 27 patients included in this study received biplanar radiography (EOS® Imaging) with 3D reconstruction using sterEOS software both preoperatively and postoperatively. For all leg alignment parameters obtained from the 3D reconstruction and from measurements using mediCAD, the deltas between the postoperative and preoperative values were determined. Patients were divided into those who received a short-stem prosthesis and those who received a straight-stem prosthesis. Results: The change in femoral offset with the implantation of a short-stem prosthesis was significantly greater than that with the implantation of a straight-stem prosthesis (11.4 ± 5.9 vs. 4.6 ± 7.4 mm, p = 0.014). Compared with the straight-stem implantation, short-stem implantation caused a significantly greater increase in the varus orientation of the leg (-1.4 ± 0.9 vs. -0.4 ± 1.4 °, p = 0.048). There was no significant difference in the positioning of the short-stem prosthesis compared to the straight-stem prosthesis in the proximal femur (3.6 ± 3.1 vs. 2.6 ± 1.9 °, p = 0.317). Conclusions: These findings substantiate the impact of prosthesis design on offset and leg alignment. The implantation of short-stems is more variable and requires precise planning. Intraoperative non-physiological offset changes and varus deviation of the leg axis should be avoided. Trial registration: The study was retrospectively registered with the German Clinical Trials Register (DRKS) under the number DRKS00015053 on the 1st of August 2018.
37 3 - Research DataExploring the modulation of the complex folding landscape of Human Telomeric DNA by low molecular weight ligands2025-02-04Telomeric DNA forms G-quadruplex (G4) structures. G4s are crucial for genomic stability and therapeutic targeting. Using time-resolved NMR and CD spectroscopies, we investigated how the ligand Phen-DC3 modulates the folding of the human telomeric repeat 23TAG DNA sequence into G4. The kinetics are modulated by the ligand and by the presence of potassium cations (K+). Ligand binding to G4 occurs via a triphasic process with fast and slow phases. Notably, for the G4 structure in the presence of K+, the slow rate is ten times slower than without K+. These findings offer key insights into the modulation of the complex folding landscape of G4s by ligands, advancing our understanding of G4-ligand interactions for potential therapeutic applications.
5 61 - Research DataFörderung von Partizipation in der geographischen Lehrkräftebildung: Qualitative Inhaltsanalyse von Microblogportfolios2025-01-27Im Rahmen einer Qualitativen Inhaltsanalyse (nach Mayring) wurden 23 Microblogportfolios, bestehend aus 220 Blogposts hinsichtlich der Kategorien Wissen über geomedienbasierte Partizipationsmöglichkeiten und deren Grenzen (Subkategorien: Politik, Gesellschaft, Bildung), partizipative Haltungen (Subkategorien: Bewusstsein, Bereitschaft, Überzeugungen) und Fähigkeiten zur Partizipation (Subkategorien: in Geomedien, mithilfe von Geomedien, an Geomedien) untersucht, die im Sommersemester 2021 im Rahmen eines fachdidaktischen Seminars in der geographischen Lehrkräftebildung generiert wurden. Mit dem Ziel der inhaltlichen Strukturierung des Analysematerials wurden die Daten entsprechend ausgewertet und analysiert. Das angehängte Dokument enthält die im Rahmen der Qualitativen Inhaltsanalyse kodierten Textsegmente und gibt Auskunft über die entsprechenden Kodierungen.
27 10 - Research DataInterconnected renormalization of Hubbard bands and Green's function zeros in Mott insulators induced by strong magnetic fluctuations2024-10-10We analyze the role of spatial electronic correlations and, in particular, of the magnetic fluctuations in Mott insulators. A half-filled Hubbard model is solved at large strength of the repulsion 𝑈 on a two-dimensional square lattice using an advanced diagrammatic approach capable of going beyond Hartree-Fock and single-site dynamical mean-field theories. We show that at high temperatures, when the magnetic fluctuations are weak, the electronic self-energy of the system is mainly local and is well reproduced by the atomic (Hubbard-I) approximation. Upon lowering the temperature toward the magnetically ordered phase, the nonlocality of the self-energy becomes crucial in determining the momentum dispersion of the Hubbard bands and the Green's function zeros. We therefore establish a precise link between Luttinger surface, nonlocal correlations and spectral properties of the Hubbard bands.
21 43 - Research DataIsothermal Compressibility and Isobaric Thermal Expansion of Liquid trans-1,2-Dichloroethene at Low Temperatures2024-03-27This dataset includes the experimental data on the density of the trans-1,2-dichloroethene. Thermal expansion and isothermal compressibility of this material were measured in the pressure range of 1—150 bar and temperature range from -26 to +6 °C. X-ray radiography set-up HECTOR at Ghent University was used for these measurements.
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