cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/8j3v4s9bs8.1
title: Data for: Rates and Products of Oxidation of Ferrous Iron in Trioctahedral Smectites

description: Data package for manuscript "Rates and Products of Oxidation of Ferrous Iron in Trioctahedral Smectites", by Robert J. Kupper, Nanqing Zhou, Clara S. Chan, Aaron Thompson, Jeffrey G. Catalano. The manuscript will be submitted to Geochimica et Cosmochimica Acta. This dataset contains sample characterization and oxidation kinetics results for two synthetic, Fe(II)-bearing trioctahedral smectites. Both clay minerals were suspended in media solution and then exposed to a series of oxidants: dissolved oxygen equilibrated with 21% O2, dissolved oxygen equilibrated with 2% O2, 5 mmol/L nitrite, or an excess of hydrogen peroxide. The post-reaction solids were characterized by powder X-ray diffraction and Mossbauer spectroscopy. 

The file "Kupper2022_XRD_data.csv" contains powder X-ray diffraction patterns of moderate-iron trioctahedral smectite [Ca0.17(FeII1.59Mg0.78FeIII0.12Al0.33)(Si3.58Al0.42)O10(OH)2] and high-iron trioctahedral smectite [Ca0.20(FeII2.16Mg0.26FeIII0.19Al0.24)(Si3.48Al0.52)O10(OH)2]. "Unaltered" indicates the initial, synthesized clays. The other labels indicate samples reacted with the specified oxidant: 21% O2, 2% O2, 5 mmol/L dissolved nitrite, and an excess of hydrogen peroxide (H2O2). These data appear in Figures 1, 5, and 6 in the associated manuscript.

The folder "Kupper2022_Mossbauer_data" contains the Mossbauer spectra of moderate-iron trioctahedral smectite and high-iron trioctahedral smectite. "Unaltered" indicates the initial, synthesized clays. The other labels indicate samples reacted with the specified oxidant: 21% O2, 2% O2, 5 mmol/L dissolved nitrite, and an excess of hydrogen peroxide (H2O2). The subfolders labeled 295K, 13K, and 5K indicate the temperature in Kelvin at which data were collected. These data appears in Figures 2, 8, and 9 in the associated manuscript.

The file "Kupper2022_OxidationKinetics_data.csv" contains data on solid phase Fe(II)/Total Fe in the moderate-iron trioctahedral smectite and high-iron trioctahedral smectite as a function of time in hours during reaction with 21%O2, 2%O2, or 5 mmol/L nitrite. Oxidation-free control data are also provided. These data appear in Figures 3, 4, and S3 in the associated manuscript.

The file "Kupper2022_ModIron_Nitrite_data.csv" contains dissolved nitrite concentrations during the experiments with the moderate-iron smectite. These data appear in Figure S2 in the associated manuscript.

The folder "Kupper2022_Oxygen_data" contains dissolved oxygen concentrations (in umol/L) and temperature as a function of time for the oxidation experiments with the moderate- and high-iron smectite reacted with 21% or 2% O2. These data appear in Figure S1 in the associated manuscript.
DOI: 10.17632/8j3v4s9bs8.2
title: Data for: Rates and Products of Oxidation of Ferrous Iron in Trioctahedral Smectites

description: Data package for manuscript "Rates and Products of Oxidation of Ferrous Iron in Trioctahedral Smectites", by Robert J. Kupper, Nanqing Zhou, Clara S. Chan, Aaron Thompson, Jeffrey G. Catalano. The manuscript will be submitted to Geochimica et Cosmochimica Acta. This dataset contains sample characterization and oxidation kinetics results for two synthetic, Fe(II)-bearing trioctahedral smectites. Both clay minerals were suspended in media solution and then exposed to a series of oxidants: dissolved oxygen equilibrated with 21% O2, dissolved oxygen equilibrated with 2% O2, 5 mmol/L nitrite, or an excess of hydrogen peroxide. The post-reaction solids were characterized by powder X-ray diffraction and Mossbauer spectroscopy. 

The file "Kupper2022_XRD_data.csv" contains powder X-ray diffraction patterns of moderate-iron trioctahedral smectite [Ca0.17(FeII1.59Mg0.78FeIII0.12Al0.33)(Si3.58Al0.42)O10(OH)2] and high-iron trioctahedral smectite [Ca0.20(FeII2.16Mg0.26FeIII0.19Al0.24)(Si3.48Al0.52)O10(OH)2]. "Unaltered" indicates the initial, synthesized clays. The other labels indicate samples reacted with the specified oxidant: 21% O2, 2% O2, 5 mmol/L dissolved nitrite, and an excess of hydrogen peroxide (H2O2). These data appear in Figures 1, 5, and 6 in the associated manuscript.

The folder "Kupper2022_Mossbauer_data" contains the Mossbauer spectra of moderate-iron trioctahedral smectite and high-iron trioctahedral smectite. "Unaltered" indicates the initial, synthesized clays. The other labels indicate samples reacted with the specified oxidant: 21% O2, 2% O2, 5 mmol/L dissolved nitrite, and an excess of hydrogen peroxide (H2O2). The subfolders labeled 295K, 13K, and 5K indicate the temperature in Kelvin at which data were collected. These data appears in Figures 2, 8, and 9 in the associated manuscript.

The file "Kupper2022_OxidationKinetics_data.csv" contains data on solid phase Fe(II)/Total Fe in the moderate-iron trioctahedral smectite and high-iron trioctahedral smectite as a function of time in hours during reaction with 21%O2, 2%O2, or 5 mmol/L nitrite. Oxidation-free control data are also provided. These data appear in Figures 3, 4, and S3 in the associated manuscript.

The file "Kupper2022_ModIron_Nitrite_data.csv" contains dissolved nitrite concentrations during the experiments with the moderate-iron smectite. These data appear in Figure S2 in the associated manuscript.

The folder "Kupper2022_Oxygen_data" contains dissolved oxygen concentrations (in umol/L) and temperature as a function of time for the oxidation experiments with the moderate- and high-iron smectite reacted with 21% or 2% O2. These data appear in Figure S1 in the associated manuscript.

The file "Kupper2022_EXAFS_data.csv" contains the XAFS spectra of the moderate- and high-iron smectites upon synthesis and after exposure to 21% O2 or H2O2.
DOI: 10.17632/vczpgbtmdp.1
title: On the covalent nature of lysine-polyphosphorylation. Azevedo et al.

description: Raw data of the figures presented in -On the covalent nature of lysine-polyphosphorylation- by Azevedo et al.
DOI: 10.17632/vv9n57g87g.1
title: Targeted brain metabolomics in two Lafora disease mouse models with or without PPP1R3C-deficiency

description: Targeted metabolomic profiles (protein-normalized relative abundances of brain metabolites) were obtained in two Lafora disease mouse models in the presence or absence of PPP1R3C (PTG). Genotypes and biological replicates are as follows: Cohort 1 WT1 (Epm2a+/+, Ppp1r3c+/+) n=9, LKO (Epm2a-/-, Ppp1r3c+/+) n=7, DKO1 (Epm2a-/-, Ppp1r3c-/-) n=10, PKO1 (Epm2a+/+, Ppp1r3c-/-) n=8; WT2 (Nhlrc1+/+, Ppp1r3c+/+) n=11, MKO (Nhlrc1-/-, Ppp1r3c+/+) n=9, DKO2 (Nhlrc1-/-, Ppp1r3c-/-) n=10, PKO2 (Nhlrc1+/+, Ppp1r3c-/-) n=6.
DOI: 10.17632/nx2bf947jc.1
title: State-dependent reinforcement effect of roots in the root-soil composite subject to shear: Insights from the laboratory experiments and theoretical modeling

description: A number of direct shear tests have been done to investigate the mechanical behavior of root-soil composite, with consideration of a number of testing factors, including the soil density, pressure level, planting density and root orientation. The roots for testing are retrieved from the Ficus macrocarpa, and the sampling site is located at the Zhuhai campus of Sun Yat-sen University (113º35'15"E, 22º21'21"N, altitude: 10 m). The soil for testing is completely decomposed granite.
The results indicate the presence of root tends to inhibit the development of volumetric deformation, but it will lead to the increase or decrease of shear strength, which is jointly governed by the soil density and pressure level. The root orientation i = 60º is identified to be the most proper root planting direction, responsible for the strongest reinforcement effect and a notable deformation suppression effect. Also, the addition of roots into soils has an obvious influence on the stress-dilatancy relation, contributing to the increase of dilatancy coefficient and decrease of constant volume friction angle.
DOI: 10.17632/9gjpvs5mty.1
title: Geochemistry of surface sediments from ultra-slow spreading eastern SWIR 63°E- 69°E: Inferences on hydrothermal signatures. [Dataset]
DOI: 10.17632/5ycsnc7ypg.2
title: Soil and water characteristics in a hypersaline playa lake developing highly reducing conditions plus field photographs

description: These data belong to the research project AQUASALT, EraNET that in Spain has been supported by grant PCI2018-09299 funded by MCIN/AEI/10.13039/50110 0 011033 and co-funded by the European Union. The data corresponds to the Spanish study area, the Salineta inland saline wetland (41°28'55.34"N, 0° 9'23.59"W) located 60 km far from Zaragoza city, in one of the most arid areas of the Central Ebro Basin, NE Spain. In this project we studied the redox conditions of the hypersaline soils in Salineta playa-lake, which are subjected to intermittent flooding, along a period of 17 months, in 2019 and 2020.
The dataset includes two Excel spreadsheets with the soil and water characteristics from samples obtained during wet (April) and dry (September) seasons in 2019, and at the end of the experiment, July 2020. The sampling was designed to characterize the soil and water in the context of the study of soil redox conditions using IRIS (Indicators of Reducing of Soils) devices. The selected sampling locations represent a gradient of water within the playa-lake: bare soil very frequently flooded (SAL-1); bare soil often flooded (SAL-2); and the plot colonized by annual and perennial halophytes (SAL-3). Soil data includes the main description of the soil layers per date in the three sampling plots, and their chemical and physical analytical data determined in the field and in the lab. We analyzed water from three different origins: i) surface water when present, ii) shallow groundwater from piezometers up to 80 cm depth, iii) suction probes installed at 20 and 40 cm depth, and iv) saturated paste extracts of soil samples. Photograph P1170434.jpg shows a view of the field setting of the experiment in 2019, April 17.
DOI: 10.17632/fp53wdd53m.1
title: Sposób wykrywania gamma butyrolaktonu, kwasu 4-hydroksymasłowego i soli kwasu 4-hydroksymasłowego w roztworze P.449279

description: W repozytorium zawarto dane do zgłoszenia patentowego Sposób wykrywania gamma butyrolaktonu, kwasu 4-hydroksymasłowego i soli kwasu 4-hydroksymasłowego w roztworze nr P.449279
DOI: 10.17632/3vmzmb9k6y.1
title: Kinetic and structural characterization of fumonisin esterases

description: Raw data for the kinetic characterization of two fumonisin esterases. The dataset belongs to the paper "(the citation will be updated when the paper is published)" by Incze et al., and the research is described there in details. In short, all substrates and enzyme solutions were diluted in Buffer A (50 mM potassium phosphate buffer supplemented with 100 μg/mL of BSA, at pH 6.0) for the enzyme kinetic measurements. The fermentation supernatants containing FE were diluted to a final enzyme concentration of 2.0 μg/L in the reactions. Solutions of FB1 and pHFB1_7 were diluted to five different concentrations in the range between 4.5–165 μM in final reaction volumes of 200 μL. The reaction mixtures were incubated at 37 °C in a TDB-120 Dry Block Thermostat (Biosan, Riga, Latvia). Samples (20 μL) were taken from every enzyme reaction, five times at different time points, depending on the substrate, substrate concentration, and enzyme. The samples were mixed immediately with 113 μL of MeOH to terminate theenzymatic reaction. The reactions were performed in triplicates and were analyzed with HPLC-FLD. Linear equations were fitted to the measured points of the product concentration-time function’s diagram with linear regression using Microsoft Excel. During the degradation of FB1, only those measurement points where the amount of HFB1 was negligible were evaluated for the fitting. The initial reaction rates were defined as the slope of the linear equation in μM/min. The fitted linear equations were accepted when the R^2 values were at least 0.995. 
The Excel data file consists of 4 sheets. Sheets named "FE1, FB1", "FE1, pHFB1_7", "FE2, FB1" and "FE2, pHFB1_7" correspond to the datasets of FB1 hydrolysis by FE1, pHFB1_7 hydrolysis by FE1, FB1 hydrolysis by FE2 and pHFB1_7 hydrolysis by FE2, respectively. Columns "c initial(FB1) [µM]", "c initial(pHFB1_7) [µM]", "t [min]", "c (FB1) [µM]", "c (pHFB1_7) [µM]", and c (HFB1) [µM] contains the data of the concentration of FB1 in µM prior enzymatic reaction, the concentration of pHFB1_7 in µM prior enzymatic reaction, reaction time in minutes, actual concentration of FB1 in µM, actual concentration of pHFB1_7 in µM and actual concentration of HFB1 in µM, respectively.
DOI: 10.17632/b4dxwsyr9f.1
title: Strain Energy based Mean field Homogenization

description: Source files and raw data for strain energy based mean field homogenization.
DOI: 10.17632/79xc6bkgjt.1
title: Open Innovation Generated Robotic Design and Solver Characteristics Dataset

description: This repository entry should be viewed in conjunction with the Data in Brief explainer "Linking solver characteristics, solving processes and solution attributes: A data explainer for an Open Innovation Generated Robotic Design Dataset" which documents the research design and implementation process and provides a detailed explanation of each data record, carefully characterizing potential limitations associated with research design choices.

Between 2017 and 2020, a team of researchers from the George Washington University collaborated with NASA and Freelancer.com to design and launch the “Astrobee Challenge Series,” a large-scale field experiment that aimed to generate data to characterize the relationship between how a technical problem is formulated and who is able and willing to solve, and the quality of solutions they generate. The core experimental manipulation was of the architecture of the problem posed; the typical open innovation process was instrumented to collect unusually rich data but otherwise untouched. In all, 17 individual contests were run over a period of 12 months. Over the course of the challenge series, we tracked a population of 16,249 potential solvers, of which 6,219 initiated solving, and a subset of 147 unique solvers submitted 263 judgeable solutions. The resultant dataset is unique because it captures demographic and expertise data on the full population of potential solvers and links their activity to their solving processes and solution outcomes. Moreover, in addition to winning designs (the typical basis of analysis), it captures design outcomes for all submitted design artifacts allowing analysis of the variety of solutions to the same problem. This data should be useful for researchers interested in studying the design and innovation process, particularly those focused on novelty, variety, feasibility of solutions or expertise, diversity and capability of solvers.
DOI: 10.17632/3wxyzfyvh6.1
title: Dataset: Auxetic Response of 3D Printed Re-entrant TPU Metamaterials

description: The dataset contains simulated Poisson's ratios of 3D Printed Re-entrant TPU Metamaterials with varying geometrical features.
DOI: 10.17632/hsf9sdd7mc.1
title: Late Mesozoic stratigraphic framework of the Great Xing’an Range, NE China, and overprinting by the Mongol–Okhotsk and Paleo-Pacific tectonic regimes

description: The analytical results of SIMS zircon U–Pb dating, LA–ICP–MS zircon U–Pb dating, major and trace elements, and Hf isotope for the samples of late Mesozoic volcanic rocks from the Great Xing’an Range. Table S1 to S4
DOI: 10.17632/n9kj2kwg2x
title: Oxidation, Interconverting, Releasing, and Storage Flux of Circulating Nutrients in Lean and Obese Mice

description: Abstract
Mammalian tissues feed on nutrients in the blood circulation. At the organism-level, mammalian energy metabolism comprises of oxidation, storage, interconverting, and releasing of circulating nutrients. Though much is known about the individual processes and nutrients, a holistic and quantitative model describing these processes for all major circulating nutrients is lacking. Here, by integrating isotope tracer infusion, mass spectrometry, and isotope gas analyzer measurement, we developed a framework to systematically quantify fluxes through these metabolic processes for 10 major circulating energy nutrients in mice, resulting in an organism-level quantitative flux model of energy metabolism. This model revealed that in wildtype mice circulating nutrients have more dominant metabolic cycling fluxes than their oxidation fluxes, with distinct partition between cycling and oxidation flux for individual circulating nutrients. Applications of this framework in obese mouse models showed on a per animal or lean mass basis extensive elevation of metabolic cycling fluxes in ob/ob mice, but not in diet-induced obese mice. Thus, our framework describes quantitatively the functioning of energy metabolism at the organism-level, valuable for revealing new features of energy metabolism in physiological and disease conditions. 

Description of Files
1. "oxidation, interconverting, storage, and releasing flux.xlsx": This file details the oxidation, interconversion, release from storage, and futile storage flux of circulating nutrients on a per-animal basis. It includes data for lean C57BL/6J mice (control), obese C57BL/6J mice on a high-fat diet, and ob/ob obese mice.

2. "isotopologues.xlsx": This file presents the averaged carbon labeling in circulating nutrients at isotopic steady state under the infusion of various U-13C-tracers. The columns named as 0, 1, 2, 3, etc., indicate the number of atoms labeled as 13C in the analyte.

More data is available in Data S1 – Source Data of the original publication in Cell Metabolism.
DOI: 10.17632/n9kj2kwg2x.1
title: Oxidation, Interconverting, Releasing, and Storage Flux of Circulating Nutrients in Lean and Obese Mice

description: Abstract
Mammalian tissues feed on nutrients in the blood circulation. At the organism-level, mammalian energy metabolism comprises of oxidation, storage, interconverting, and releasing of circulating nutrients. Though much is known about the individual processes and nutrients, a holistic and quantitative model describing these processes for all major circulating nutrients is lacking. Here, by integrating isotope tracer infusion, mass spectrometry, and isotope gas analyzer measurement, we developed a framework to systematically quantify fluxes through these metabolic processes for 10 major circulating energy nutrients in mice, resulting in an organism-level quantitative flux model of energy metabolism. This model revealed that in wildtype mice circulating nutrients have more dominant metabolic cycling fluxes than their oxidation fluxes, with distinct partition between cycling and oxidation flux for individual circulating nutrients. Applications of this framework in obese mouse models showed on a per animal or lean mass basis extensive elevation of metabolic cycling fluxes in ob/ob mice, but not in diet-induced obese mice. Thus, our framework describes quantitatively the functioning of energy metabolism at the organism-level, valuable for revealing new features of energy metabolism in physiological and disease conditions. 

Description of Files
1. "oxidation, interconverting, storage, and releasing flux.xlsx": This file details the oxidation, interconversion, release from storage, and futile storage flux of circulating nutrients on a per-animal basis. It includes data for lean C57BL/6J mice (control), obese C57BL/6J mice on a high-fat diet, and ob/ob obese mice.

2. "isotopologues.xlsx": This file presents the averaged carbon labeling in circulating nutrients at isotopic steady state under the infusion of various U-13C-tracers. The columns named as 0, 1, 2, 3, etc., indicate the number of atoms labeled as 13C in the analyte.

More data is available in Data S1 – Source Data of the original publication in Cell Metabolism.
DOI: 10.17632/sfwct3prk2
title: LDHU3_10.0340

description: Nucleolar protein 56 | NOP56; Leishmania donovani (HU3 strain)
DOI: 10.17632/sfwct3prk2.1
title: LDHU3_10.0340

description: Nucleolar protein 56 | NOP56; Leishmania donovani (HU3 strain)
DOI: 10.17632/ptc2knd5r6.1
title: LDHU3_10.0300

description: MORN repeat family protein; Leishmania donovani (HU3 strain)
DOI: 10.17632/ndptyb2zbv.1
title: LDHU3_10.0260

description: Guanosine diphosphatase; Leishmania donovani (HU3 strain)
DOI: 10.17632/nyjzs5grky.1
title: LDHU3_10.0420

description: Exonuclease; Leishmania donovani (HU3 strain)
DOI: 10.17632/thm39whxd5.1
title: MDSplusML on Premise Performance

description: Time to retrieve 70 quantities and their timebases from 500 Alcator C-Mod discharges.

Using a different MDSplus data access methods and HDF5 files the time to retrieve 70 quantities and their timebases from 500 discharges vs the number of concurrent threads.
DOI: 10.17632/5y254z37bp.1
title: The strength of bioinspired adhesive microstructures with interfacial defects

description: Bioinspired dry adhesives have exhibited statistical variation in local strength across arrays of micropatterned fibrillar sub-contacts. This is the result of interfacial defects which form due to surface roughness, contaminants, and imperfections. Previous work has focused on the role of fibril geometry in control of the interfacial stress distribution. Understanding the emergence of local statistical variation among sub-contacts requires going beyond this, to consider the interaction of fibril geometry and interfacial defect geometry. In this work the adhesive strength of three fibril geometries on substrates with preexisting defects are examined. A cylindrical-punch-shaped fibril is compared to the prevalent mushroom-shaped fibril geometry. The impact of a minor geometric change to the mushroom-shaped fibril, adding a fillet where the stalk meets the flange, is also assessed. Performing cohesive zone finite element simulations, the adhesive strength and detachment characteristics in the absence of a defect and with varied defect size and position are obtained. Results for the punch-shaped fibril show that even in the presence of defects in the contact center, the edge controls propagation of detachment. Only when defects are large and close to the contact edge, does the adhesive strength differ significantly from the defect-free case. For the mushroom-shaped fibrils, there is a strong dependence of the strength upon defect size and position. The transition to defect-insensitivity in the flange is affected by the presence of the fillet. Generally, as the intrinsic strength is reduced, the size of the process zone increases and the sensitivity to defects is less pronounced. Together, these results suggest that for a distribution of defects at the interface, across an array of fibrillar sub-contacts, the statistical variation will strongly depend upon defect size and spacing, as well as fibril geometry. Cylindrical punch-shaped fibrils are likely to have a narrow distribution of strength due to the dominance of the edge stress concentration, while mushroom-shaped fibrils may have a broad distribution of strength, in agreement with previous experimental observations. This distribution will be altered by small geometric details at the interface, and will become more narrow as the intrinsic strength of adhesive interaction is reduced.