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189 results for “Thermodynamics”
Experimental and Computational Dataset for ""Direct monitoring of the thermodynamics and kinetics of DNA and RNA dinucleotide hybridization onto gaps and overhangs"
<p>Binding of short nucleic acid segments (<4 nucleotides) to single-strand templates occurs as a critical intermediate in processes such as non-enzymatic nucleic acid replication and toehold-mediated strand displacement. The templates in these reactions often contain adjacent duplex segments that stabilize base pair formation to single-strand gaps or overhangs, but the thermodynamics and kinetics of hybridization in such contexts are poorly understood due to the<br> experimental challenges of probing weak binding and rapid structural dynamics. Here we develop an approach to directly measure the thermodynamics and kinetics of DNA and RNA dinucleotide<br> hybridization using steady-state and temperature-jump infrared spectroscopy. Thermodynamic results indicate that duplex segments adjacent to overhangs and gaps stabilize dinucleotide binding<br> through a combination of coaxial stacking interactions and additional factors that remain unclear. All-atom molecular dynamics simulations indicate potential structural differences between the<br> dinucleotide-gap complexes and canonical duplexes that may contribute to binding stability. We demonstrate time-resolved measurements of dinucleotide dehybridization and observe timescales ranging from 200 ns to 40 µs depending on the template and temperature. Together, our work provides an initial step for predicting the binding stability and kinetics of short DNA and RNA duplex segments onto various type of nucleic acid templates</p>
Velocity and density profiles from thermodynamic modeling
<p>Seismic velocity and density profiles for various mantle temperature and compositions using the stx08 and stx11 data bases. See README in each directory for more detailed descriptions.</p>
Thermodynamic modelling of the nature of speciation and phase behavior of binary and ternary mixtures of formaldehyde, water and methanol
<p>Data underlying the journal article titled "Thermodynamic modelling of the nature of speciation and phase behavior of binary and ternary mixtures of formaldehyde, water and methanol" published in the Journal of Molecular Physics </p>
Data for paper "Low Uncertainty Thermodynamic Temperature Above the Silver Point Using Relative Primary Radiometry" submitted to ITS10: International Temperature Symposium, Anaheim 2023
<p>Data and evaluation used to set up a thermodynamic temperature scale in line with the mise-en-pratique for the definition of the kelvin and associated uncertainty budget.</p> <p>Used to assign temperatures to fixed points as part of 18SIB02 “Realising the redefined kelvin” </p> <p>Presented at, and an open access paper submitted to proceedings of, ITS10: International Temperature Symposium Anaheim USA 2023</p>
Supporting data for "Fundamental Investigations on the Ionic Transport and Thermodynamic Properties of Non-aqueous Potassium-Ion Electrolytes"
<p>This is the dataset of the electrochemical, densitometry and XPS data for our publication "Fundamental Investigations on the Ionic Transport and Thermodynamic Properties of Non-aqueous Potassium-Ion Electrolytes". This archive contains the raw data and python scripts used in the analysis and modelling for the presentation of the results in this manuscript.</p> <p>Abstract of manuscript:</p> <p>Non-aqueous potassium-ion batteries (KIBs) represent a promising complementary technology to lithium-ion batteries due to the availability and low cost of potassium. Moreover, the lower charge density of K<sup>+</sup> compared to Li<sup>+</sup> favour the ion-transport properties in the liquid electrolyte solutions, thus, making KIBs potentially capable of improved rate capability and low-temperature performance. However, a comprehensive study of the ionic transport and thermodynamic properties of non-aqueous K-ion electrolyte solutions is not available. Here we report the full characterisation of the ionic transport and thermodynamic properties of a model non-aqueous K-ion electrolyte solution system comprising potassium bis(fluorosulfonyl)imide (KFSI) salt and 1,2-dimethoxyethane (DME) solvent and compare it with its Li-ion equivalent (i.e., LiFSI:DME), over the concentration range 0.25–2 molal. Using tailored K metal electrodes, we demonstrate that KFSI:DME electrolyte solutions show higher salt diffusion coefficients and cation transference numbers than LiFSI:DME solutions. Finally, via Doyle-Fuller-Newman (DFN) simulations, we investigate the K-ion and Li-ion storage properties for K||graphite and Li||graphite cells.</p>
Simulation dataset for "HORNET - A Power Density Quantifying Out of Thermodynamic Equilibrium Energy Conversion"
<p>Simulation dataset for reproducing figures used in the manuscript</p>
A thermodynamic explanation of the Invar effect (dataset)
<p>Experimental and computational dataset of Fe-Ni invar (Fe65Ni35) published with the following article:</p> <p>Lohaus, S.H., Heine, M., Guzman, P., Bernal-Choban, C.M., Saunders, C.N., Shen, G., Hellman, O., Broido, D., Fultz, B<em>.</em> A thermodynamic explanation of the Invar effect. <em>Nature Physics</em> (2023). https://doi.org/10.1038/s41567-023-02142-z</p>
Data of "Thermodynamics of Quantum Trajectories on a Quantum Computer"
<p>The uploaded files contain the data of the simulations presented in the figures of the publication "Thermodynamics of Quantum Trajectories on a Quantum Computer".</p>
Data points for "Modelling the thermodynamic properties of the mixture of water and polyethylene glycol (PEG) with the SAFT-γ Mie group-contribution approach
<p>A variety of thermodynamic calculations (LLE, enthalpy of mixing, etc.) performed with the SAFT-γ Mie equation of state on polyethylene glycol (PEG) + water mixtures. Please refer to the original article (published in Fluid Phase Equilibria) for the bibliography and more details.</p>
Supplementary Material - PhD Thesis - "Unravelling the heat budget of the Lepontine dome: interdisciplinary geological, petrological, thermodynamic and geochronological study of shear zones"
<p>Supplementary material of the PhD thesis titled:<br> "<strong>Unravelling the heat budget of the Lepontine dome: interdisciplinary geological, petrological, thermodynamic and geochronological study of shear zones</strong>" by <em>Alessia Tagliaferri</em> (2023)</p> <p>Content: Excel table datasets, Matlab codes, figures, movies.</p> <p> </p>
Prospective Analysis of In Vivo Laparoscopic Microwave Ablation Thermodynamics
ClinicalTrials.gov study NCT05471596. IPD Sharing: NO. Countries: 1. Publications: 17.
Thermodynamic Model of Hyperthermia in Humans Undergoing HIPEC
ClinicalTrials.gov study NCT05426928. IPD Sharing: NO. Countries: 1. Publications: 4.
Long-term effects of intercropping on multi-trophic structure and bio-thermodynamic health of mixed Eucalyptus-native tree plantations
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Data and code from: Phytoplankton thermal responses adapt in the absence of hard thermodynamic constraints
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Electrochemical and thermodynamic properties of 1-phenyl-3-(phenylamino)propan -1-one with Na2WO4 on N80 Steel
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Breaking Free from Thermodynamic Constraints: Thermal Acclimation and Metabolic Compensation in a freshwater zooplankton species
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Data from: A statistical mechanics framework for constructing non-equilibrium thermodynamic models
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Effect of substitution of Al2O3 and B2O3 for SiO2 on the structural and thermodynamic properties of cover glass for liquid crystal display
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Thermodynamical Modeling of Liquid Fe-Si-Mg-O:Molten Magnesium Silicate Release from the Core (Table S3)
<p>Supplementary Information Table S3. Contains full EMPA analyses of coexisting liquid metal and silicate melt in ELSI runs partially reported by Badro, J., Aubert, J., Hirose, K., Nomura, R., Blanchard, I., Borensztajn, S., & Siebert, J. (2018). Magnesium partitioning between Earth’s mantle and core and its potential to drive an early exsolution geodynamo. Geophys. Res. Lett., 45. doi: https://doi.org/10.1029/2018GL080405.</p>
Thermodynamics of soil organic matter decomposition in semi-natural oak (Quercus) woodland in southwest Ireland
<p>The evolution of soil terrestrial ecosystems is a subject with difficulties to define their maturity and evolutionary state. In the last century, thermodynamics was one of the options considered by ecologists for that goal. Difficulties in quantifying the thermodynamic parameters needed by the evolutionary theories caused that this subject has been practically locked since the end of the last century. Application of thermodynamics needs reactions and one of the main reactions in soil ecosystems are those involved in the decomposition of the soil organic matter. This paper aims to provide an initial step to study those reactions from a thermodynamic perspective. With that goal in mind, thermal analysis and isothermal calorespirometric measurements were made on soil samples collected at three depths in semi-natural oak woodlands at three different sites in southwest Ireland. It is assumed that the organic matter evolves from a less to a higher mature state as soil depth increases. The maturity state could be chemically defined by the redox state. The proposed methods yield the enthalpy change, Gibbs energy change, and entropy change for the microbial catabolism and combustion reactions of the soil organic matter. The degree of reduction was calculated by the enthalpy changes. Results show the soil organic matter becomes more reduced from the soil organic surface to mineral soils. The top layer is characterized by high carbon content, organic materials with low energy content per Cmole, and fast biodegradation rates. Mineral soils are characterized by low carbon content, organic materials with high energy content per Cmole, and slow biodegradation rates. Values obtained for the entropy change were sensitive to these differences among the different soil layers. These results contribute to unlock the thermodynamics of the soil reactions and to develop the bioenergetics of soil ecosystems.</p>
ScienceDex guides
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These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.
Allen Brain Atlas
Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.
Annotated Behaviour and Observability Dataset (ABODe)
ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.
DANDI Archive for NWB datasets
DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.
International Brain Laboratory public data
The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.
OpenNeuro
OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.