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1,819 results for “Experimental data”
Data from: Community composition and physiological plasticity control microbial carbon storage across natural and experimental soil fertility gradients
<p>Data associated with 'Community composition and physiological plasticity control microbial carbon storage across natural and experimental soil fertility gradients' by Butler, Manzoni, and Warren, published in The ISME Journal (accepted 28/9/2023).</p>
Speciation of aqueous solutions of iron(III)-nitrilotriacetic acid complexes - simulations and experimental data
<p>Experimental data for a paper entitled <em>Preparation and characterization of iron(III) nitrilotriacetate complex in aqueous solutions for quantitative protein binding experiments</em> (<a title="Link to landing page via DOI" href="https://doi.org/10.1039/D3AY01261A">https://doi.org/10.1039/D3AY01261A</a>).</p> <p> </p> <p>a) Speciation of aqueous solutions of iron(III)-nitrilotriacetic acid complexes - simulations</p> <p>A custom VBA script for Microsoft Excel 365 (Version 2304, build 16.0.16327.20200, 64-bit) was used to solve the 5th-order polynomial for the free ligand NTA3− as a function of all congruent association and dissociation constants and the total concentrations of iron, ligand, and hydrogen ions using the Jenkins-Traub algorithm. [1-4] For comparison, the FeNTA species distribution was also simulated using HySS software [5], which applies the Newton-Raphson algorithm to solve the mass balance equations using known equilibrium constants. [6-7]</p> <p>The Excel workbook is provided with the following information:</p> <p>Sheet 1: FeNTA-Speciation - contains all relevant equilibrium constants and corresponding equations, expressions for polynomial coefficients, polynomial roots, and equilibrium concentrations of all species. The values are calculated from the analytical concentrations provided to the HySS software and imported to Sheet 2.</p> <p>Sheet 2: HySS-Import - contains the values obtained from the HySS software (the HySS model file is also included for reference). The values in the columns headed 'total Fe', 'total NTA' and 'p(H)' are used for the calculation in Sheet 1.</p> <p>Sheet 3: Examples - contains plots for the FeNTA species distribution obtained by solving the 5th-order polynomial in Excel and HySS software: Top: Fe:NTA = 0.15 M:0.15 M, Bottom: Fe:NTA = 0.15 M:0.30 M.</p> <p>Sheet 4: Polynomial-Procedure - contains the details of using the VBA script in Excel. [1]</p> <p> </p> <p>b) UV-Vis spectrophotometric titration of human serum transferrin (hTf) with FeNTA - experimental data and results</p> <p>Additional files containing the experimental data for the UV-Vis spectrophotometric titration of human serum transferrin (hTf) with FeNTA and the obtained equilibrium constants for binding of the first and second iron(III) ion to hTf, obtained using HypSpec software [8-9], are also included.</p> <p>The files contain the HypSpec model and the summary of the results in Excel, including the concentrations of all species for each titration point, the observed and calculated absorbance, and the values and errors for the molar absorption coefficients in the range from 445 to 800 nm.</p> <p> </p> <p>For more details, please visit: <a href="https://glymech.pharma.hr//GlyMech.html">https://glymech.pharma.hr//GlyMech.html</a>.</p> <p> </p> <p>References:</p> <p>[1] Jenkins D (2014) Solving Quadratic, Cubic, Quartic and higher order equations; examples. In: Newton Excel Bach, not (just) an Excel Blog. <a href="https://newtonexcelbach.wordpress.com/2014/01/14/solving-quadratic-cubic-quartic-and-higher-order-equations-examples/">https://newtonexcelbach.wordpress.com/2014/01/14/solving-quadratic-cubic-quartic-and-higher-order-equations-examples/</a>. Accessed 18 May 2017</p> <p>[2] Jenkins MA, Traub JF (1972) Algorithm 419: zeros of a complex polynomial [C2]. Commun ACM 15:97–99. <a href="https://doi.org/10.1145/361254.361262">https://doi.org/10.1145/361254.361262</a></p> <p>[3] Jenkins MA (1975) Algorithm 493: Zeros of a Real Polynomial [C2]. ACM Trans Math Softw 1:178–189. <a href="https://doi.org/10.1145/355637.355643">https://doi.org/10.1145/355637.355643</a></p> <p>[4] Ralston A, Rabinowitz P (1978) A first course in numerical analysis, 2d ed. McGraw-Hill, New York ISBN: 9780486414546 <a href="https://www.worldcat.org/title/44883559">https://www.worldcat.org/title/44883559</a></p> <p>[5] Alderighi L, Gans P, Ienco A, Peters D, Sabatini A, Vacca A (1999) Hyperquad simulation and speciation (HySS): a utility program for the investigation of equilibria involving soluble and partially soluble species. Coordination Chemistry Reviews 184:311–318. <a href="https://doi.org/10.1016/S0010-8545(98)00260-4">https://doi.org/10.1016/S0010-8545(98)00260-4</a></p> <p>[6] Motekaitis RJ, Martell AE (1994) The Iron(III) and Iron(II) Complexes of Nitrilotriacetic Acid. Journal of Coordination Chemistry 31:67–78. <a href="https://doi.org/10.1080/00958979408022546">https://doi.org/10.1080/00958979408022546</a></p> <p>[7] Hegenauer J, Saltman P, Nace G (1979) Iron(III)-phosphoprotein chelates: stoichiometric equilibrium constant for interaction of iron(III) and phosphorylserine residues of phosvitin and casein. Biochemistry 18:3865–3879. <a href="https://doi.org/10.1021/bi00585a006">https://doi.org/10.1021/bi00585a006</a></p> <p>[8] Gans P, Sabatini A, Vacca A (1996) Investigation of equilibria in solution. Determination of equilibrium constants with the HYPERQUAD suite of programs. Talanta 43:1739–1753. <a href="https://doi.org/10.1016/0039-9140(96)01958-3">https://doi.org/10.1016/0039-9140(96)01958-3</a></p> <p>[9] Gans P, Sabatini A, Vacca A (1999) Determination of equilibrium constants from spectrophometric data obtained from solutions of known pH: The program pHab. Annali di Chimica 89:45–49.</p> <p> </p>
Supplementary Data for "Using AlphaFold and Experimental Structures for the Prediction of the Structure and Binding Affinities of GPCR Complexes via Induced Fit Docking and Free Energy Perturbation"
<p>Supplementary data for publication "Using AlphaFold and Experimental Structures for the Prediction of the Structure and Binding Affinities of GPCR Complexes via Induced Fit Docking and Free Energy Perturbation".</p><p>Includes:</p><ul><li>All input structures used in the the retrospective benchmark dataset as well as the (at most) 5 best scoring output models.</li><li>Input structures and output models for IFD-MD predictions of SSTR2, SSTR4, and SSTR5 complexes.</li><li>Output FEP+ maps (in fmp format) for SSTR2, SSTR4, and SSTR5 best models (representative runs shown in publication).</li></ul>
Sum-Frequency Generation Spectro-Microscopy in the Reststrahlen Band of Wurtzite-type Aluminum Nitride - Experimental Data
<p>Experimental SFG spectro-microscopy data for m-AlN. You will need Matlab to access the data.</p> <p>First, unzip the data repository "data.zip". Then, you can run the "ReadIn_OpenSourceData.m" main script (which should be in the same folder). "conv_alex.m", "gaussian_norm.m", "FilterAllInterpolated.txt" and "IR_transmission_in_air.dat" are auxialliary files the are needed to run the main script. The data contains the full spectroscopic imaging information for all 8 experimental configurations, see the paper for details. </p> <p>If you have any questions, please contact: mader@fhi.mpg.de</p>
Experimental data on discrimination against Chinese-origin renters in Madrid
<p>This dataset contains the data of a correspondence testing experiment of rental housing discrimination against Chinese-origin candidates in Madrid (Spain), performed in the January-April 2021 period. 1600 landlords were contacted from two fictitious Whatsapp accounts simulating to be either a Caucasian, native rental candidate, or a Chinese-origin rental candidate. An experimental treatment of cultural proximity (so-called second generation) was also inserted into the correspondence testing. Information about the dataset is provided in the metadata file. The latest version also includes information about the share of Chinese people and COVID-19 cases per district in Madrid.</p>
Experimental data used in mathematical modeling
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Data from: To treat or Not to Treat? Experimental Pathogen Exposure, Treatment, and Release of a Threatened Amphibian
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Data from: A critical assessment of the stoichiometric knife-edge: no evidence for artefacts caused by the experimental P-supplementation of algae
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Data from: Interacting effects of genetic variation for seed dormancy and flowering time on phenology, life history, and fitness of experimental Arabidopsis thaliana populations over multiple generations in the field
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Data from: A review of protocols for the experimental release of kelp (Laminariales) zoospores
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Data from: Microbial solutions to dietary stress: Experimental evolution reveals host-microbiome interplay in Drosophila melanogaster
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Experimental and numerical calculation data of contact stiffness/Surface roughness/HPT
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Data from: An experimental investigation of how intraspecific competition and phenotypic plasticity can promote the evolution of novel, complex phenotypes
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Data for: Foraging speed and precision of arbuscular mycorrhizal fungi under field conditions: An experimental approach
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Data for: Costs of reproduction under experimental climate change across elevations in the perennial forb Boechera stricta
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Data from: Surprising flexibility in parental care revealed by experimental changes in offspring demand
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Data from: Microcystins bioaccumulate but do not biomagnify in an experimental aquatic food chain
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Data from: Guppies in large groups cooperate more frequently in an experimental test of the group size paradox
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Data from: Diverse ecological strategies increase invasion resistance in an experimental grassland restoration
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Camera trap data of small mammals at experimental dishes
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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.