Find research datasets worth reusing

opencc-by-4.0Feb 2023View details →

A Gas Chromatography – Ion Mobility Spectrometry dataset for colorectal cancer diagnostic of 56 urine samples corresponding to 29 subjects.

Contents of the dataset The dataset includes the set of urine samples in .mea format, which can be read using the GCIMS R package. It also contains analytical standards in the same format, used for quality control of the equipment and as a retention time alignment reference. If you want to preview the data, you do not need to download the full Urines.zip and AnalyticalStandards.zip files, but rather use the smaller UrinesDemo.zip and AnalyticalStandardsDemo.zip, with a subset of just three samples of the whole dataset. Besides the actual measurements, you will find the annotations.csv and reference_peaks.csv files, with sample annotations and some reference peaks identified in the samples. See further details below. Sample collection Urine samples from 29 subjects were collected at Hospital de Reus. 15 subjects were diagnosed with colorectal cancer, 14 subjects were controls. The study protocol was approved by the Ethics Committee of Hospital de Reus (study approval no. 074/2018). Samples were aliquoted and frozen at -80ºC for storage. Sample preparation   Sample preparation improves urine preservation by blocking bacterial growth in the urine, and favours volatile extraction. It also adds an internal standard for verification of instrument variability. Stock solution preparation Dissolve 11.69 g of NaCl in about 35 mL deionized water and add 6.5 mg sodium azide (NaN3). Once dissolved, add 5.50 mL 5M HCl and mark up to volume with deionized water until the final volume is 50mL. The HCl 5M is used to obtain an acid pH. The pH is controlled with a pH test paper. The final pH level must be 2 or below. The NaCl favors the volatile extraction, and the NaN3 omits the bacterial growth in the urine. Internal standard solution preparation   The 4-flurobenzaldehyde is located in retention time around 200 seconds and can be used as an internal standard. Prepare a methanol stock solution using 100 ml of methanol grade for preparative chromatography and 200 ml of distilled water. Mix 5 mL of 4-fluorobenzaldehyde with 100 mL of the methanol stock solution. Dilute the previous mixture in 400 mL of mili-Q water. Sample preparation   Aliquotes were thawed before analysis. Once thawed, 300uL of the stock solution were added to the urine sample, and 1.5 ml of the acidified urine sample were transferred into a 20ml vial, ensuring only the supernatant of the sample is transferred. Finally, 20 mL of the internal standard solution is added to the sample. GC-IMS Analysis Samples were analyzed with a GC-IMS FlavourSpec® instrument from G.A.S. Dortmund (Dortmund, Germany). Samples were incubated for 15 minutes at 60ºC, the flow rate of the drift gas was set at 200 ml/min, and the carrier gas was set 11 ml/min. Both the drift and carrier gas were Nitrogen 5.0. The GC and IMS temperature were set at 60ºC and the measurement time lasted 33 minutes. Besides the urines, a set of measurements of a ketone mixture was also analyzed at least once per day as an analytical standard control of the equipment. The mixture included 6 ketones (2-butanone, 2-pentanone, 2-hexanone, 2-heptanone, 2-ocatanone and 2-nonanone). This mixture is measured in the same conditions as the urine samples. Samples are provided in the native instrument format (.mea format), that can be read with the GCIMS R package or with the instrument software. Sample annotations The dataset includes a CSV file with sample annotations. The annotations include the following information: <ul> <li>Diagnostic: Either ColorectalCancer or Control</li> <li>Sex: Either Male or Female</li> <li>Sample volume (in ml)</li> <li>Fasting: Whether the sample was collected with the patient in fasting conditions</li> <li>Age in years</li> <li>Weight_kg</li> <li>Height_cm</li> <li>BMI</li> <li>Smoker: TRUE/FALSE, whether the patient smoked</li> <li>Diseases: Whether the patient suffered from ArterialHypertension, CardiacFailure, Cholesterol, Dyslipidemia, Fibromyalgia or Tuberculosis</li> <li>AnalysisDateTime: Date and time of the GC-IMS analysis of the sample</li> </ul> Reference peaks Some peaks were manually annotated to ease the alignment of the samples and explore alignment solutions. While manual peak labelling is not generally required, we attach those reference peaks as well and their locations, in case they are of interest. These reference peaks are found at reference_peaks.csv.

opencc-by-4.0May 2023View details →

Formation and cycling data for Na-ion batteries from high-throughput synthesis, coating, and assembly

Formation and cycling data from a combinatorial/high-throughput upscaling process for the production and characterization of sodium-ion batteries. The process involves batch synthesis, screen printing of electrodes, robotic cell assembly, and battery cycling. The goal of this study was to test how fast a new chemistry (to the group) could be introduced into the workflow and if we are able to enhance efficiency, accuracy, and reproducibility. The cathode material, Na0.9[Cu0.22Fe0.30Mn0.48]O2, was synthesized through a solid-state reaction (Na2CO3 (purity 99.5 %), CuO (purity 99.7 %), Fe2O3 (purity 99.9 %) and Mn2O3 (purity 98 %) at 850°C for 15h) in a pressed pellet (10 MPa) that was ground up again to make a slurry. The electrodes were prepared using screen printing, which offers simplicity, low cost, and quick coating of large areas in a reproducible manner. The binder was sodium carboxymethyl cellulose to make the electrodes water processable in air.  The assembled batteries utilized the synthesized cathode material and hard carbon as the anode, with a glass fiber separator and a 1M NaPF6 EC:EMC 3:7 with 2 wt% FEC electrolyte.

opencc-by-4.0May 2023View details →

Data of the publication Optimizing ion implantation to create shallow NV centre ensembles in high-quality CVD diamond

Data of the publication published by IOP under the reference: Midrel Wilfried Ngandeu Ngambou et al 2022 Mater. Quantum. Technol. 2 045001 .

opencc-by-4.0May 2023View details →

Ageing Data of Lithium-ion "Panasonic NCR18650B" Battery Cells

A large-scale battery aging experiment dataset is presented in this dataset. In total, 116 Lithium-ion cells were cycled in a controlled temperature ambient until they reached the end-of-life. The cycling includes 37 different aging load profiles and more detailed reference tests throughout the whole lifespan of the cells. The load profiles vary in seven parameters (i.e., temperature, charge current, average discharge current, peak discharge current, frequency, average state of charge, and state of charge swing) and were set up by a design of experiment. Different approaches for the estimation of state-of-charge and state-of-health can be provided and analyzed by the offered data set. Thus this dataset forms a broad basis for battery modeling or battery management algorithms for electric vehicles and hybrid electric vehicles. For further details, see the linked publication.

opencc-by-4.0Jun 2023View details →

Dataset for Measurement report: Ion clusters as indicator for local new particle formation

Data for Measurement report: Ion clusters as indicator for local new particle formation. There are two files, negative_ion_concentrations.csv and positive_ion_concentrations.csv. The former (latter) includes absolute number concentrations for 1.87, 2.16, 2.49, and 2.88 nm negative (positive) ions. The unit for these concentrations is #/cm-3. Contact Santeri Tuovinen (santeri.tuovinen@helsinki.fi) for more details.

opencc-by-4.0Jun 2023View details →

Dataset supporting the paper "Large Orbital Moment of Two Coupled Spin‑Half Co Ions in a Complex on Gold. ACS Nano 17, 10608 (2023)"

Dataset corresponding to theoretical calculations in the paper "Large Orbital Moment of Two Coupled Spin‑Half Co Ions in a Complex on Gold" ACS Nano 17, 10608 (2023), https://pubs.acs.org/doi/10.1021/acsnano.3c01595 List of files: Several folders corresponding to the figures of the paper. They contain: .siesta files: STM images in WsXM format (http://www.wsxm.eu/) simulated using STMpw (https://doi.org/10.5281/zenodo.3581159). CONTCAR files: relaxed structures in VASP format. They can be visualized with VESTA (https://jp-minerals.org/vesta/en/). .agr: grace files (https://plasma-gate.weizmann.ac.il/Grace/).

opencc-by-4.0Jun 2023View details →

Multiplexed Staining Dataset - OMAP 5 - Liver-Lanthanides-conjugated antibodies and C60-secondary ion mass spectrometry imaging

This dataset contains images of multiplexed antibody panel on a human pediatric liver section including the nuclear marker and antibodies conjugated with lanthanides tags. The dataset is one example of serial experiments of multiplexed antibody staining and imaging. The antibody panel targets the major cell types and tissue structures in the liver tissue. Data acquisition was performed using single multiplexing imaging by C60-secondary ion mass spectrometry.

opencc-by-4.0Sep 2023View details →

MCU data in a Cypress 65 nm SRAM from heavy ions and protons collected at ground facilities

The dataset contains the raw MCU data collected at ground facilities under heavy ion and proton irradiation in the scope or RADSAGA and RADNEXT project. The device under consideration is the CY62167GE30-45ZXI, a 65 nm commercial SRAM available from Infineon (formerly Cypress). Note that the internal ECC has been disabled for this data collection. More information on data collection are available through this paper (<a href="https://doi.org/10.1109/REDW51883.2020.9325822">10.1109/REDW51883.2020.9325822</a>). The MCU were determined through the procedure explained in these two papers (<a href="https://doi.org/10.1109/TNS.2014.2313742">10.1109/TNS.2014.2313742</a> and <a href="https://doi.org/10.1109/TNS.2015.2496874">10.1109/TNS.2015.2496874</a>).

opencc-by-4.0Sep 2023View details →

THz driven field emission: energy and time-of-flight spectra of ions (DATASET)

We present an experimental and numerical study of ion field evaporation from LaB6 nanotips using single-cycle terahertz (THz) transients and a static bias voltage. Varying the amplitude and phase of the THz pulses and the value of the bias, we explore the THz-induced reshaping of the ions energy and their time-of-flight spectra. These results prove that short THz transient of about 1 ps can induce ionization and emission of ions from LaB6 samples by a field effect: the THz transient acts as an ultra-short electrical pulse. Moreover, comparing numerical and experimental results, we prove that the response time of surface atoms to the THz transient is shorter than 1 ps, corresponding to the vibration times of acoustic phonons in LaB6. In the following dataset, you can find data from THz-APT obtained from LaB6 sample and results of simulation of ions under THz Field done with Lorentz

openCC (other)Mar 2022View details →

Major ion and nutrient concentrations of water-soluble salts leached from aeolian material, McMurdo Dry Valleys, Antarctica (2013-2016)

To evaluate the role of Antarctic aeolian transport in surface chemistry homogenization, fifty-three samples of aeolian material from the McMurdo Dry Valleys region of Antarctica were collected and analyzed for water-soluble major ions and nutrients at a 1:5 sediment:water ratio. Samples were collected seasonally from Alatna Valley, Victoria Valley, Miers Valley, and Taylor Valley (Taylor Glacier, East Lake Bonney, F6 (Lake Fryxell), and Explorer’s Cove) at five heights (~5, 10, 20, 50, 100 cm) above the surface between 2013 and 2015. This data package is associated with Aeolian Material Transport and Its Role in Landscape Connectivity in the McMurdo Dry Valleys, Antarctica, published by Diaz et al. in 2018 (DOI: 10.1029/2017JF004589).

openCC (other)Aug 2024View details →

Trace metal, ion, and nutrient concentrations in aeolian samples subjected to experimental freeze-thaw cycles, collected from Taylor Valley, McMurdo Dry Valleys, Antarctica (2013-2016)

This data package contains measurements of trace metal, ion, and nutrient concentrations in aeolian samples collected from several locations throughout Taylor Valley in the McMurdo Dry Valleys of Antarctica during the 2013-2014, 2014-2015, and 2015-2016 austral summers. Samples were collected by the McMurdo Dry Valleys Long Term Ecological Research Program (MCM LTER) using Big Spring Number Eight (BSNE) isokinetic wind samplers located at Explorer’s Cove, Lake Fryxell at F6, East Lake Bonney, and Taylor Glacier. Samples were then subjected to experimental freeze-thaw cycles in a controlled laboratory setting to simulate supraglacial weathering processes and then analyzed to understand how freeze-thaw cycles affect nutrient, ion, and trace metal concentrations over time.

openCC (other)Feb 2022View details →

Ion concentrations in discrete water column samples collected from lakes in the McMurdo Dry Valleys, Antarctica (1991-2019, ongoing)

As part of the Long Term Ecological Research (LTER) project in the McMurdo Dry Valleys of Antarctica, a systematic aqueous geochemical sampling program has been undertaken. A series of terrestrial water samples have been collected and analyzed for major ion chemistry by ion chromatography. The concentrations of ions cover a wide range of total dissolved solids from fresh to hypersaline lake waters. This dataset shows concentrations of lithium, sodium, potassium, magnesium, calcium, chloride, bromide, silicon, fluoride, SO4, found in various depths of Taylor Valley lakes.

openCC0Jun 2023View details →

The photooxidation of dissolved organic matter in surface waters analyzed by Fourier-transform ion cyclotron resonance mass spectrometry.

Dissolved organic matter (DOM) plays an important role in carbon cycling in natural waters. The processing of DOM in these waters can occur via photooxidation, or interaction with sunlight. This processing can lead to the production of CO2, and also the alteration of organic compounds that make up DOM. It is likely that the extent of photooxidation is at least partially determined by the chemical composition of DOM. Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS) was used to characterize the dissolved organic matter at the molecular level for all water samples, both before and after light exposure to better understand the photooxidation of DOM. Chemical formulas were assigned to mass to generated mass to charge ratios using a custom script in R, resulting in a list of chemical formula assignments for each DOM sample, at multiple light exposure time points.

opencc-by-4.0Aug 2019View details →

Bio‐derived Carbon Nanofibres from Lignin as High‐Performance Li‐Ion Anode Materials

Development of cost‐effective and increasingly efficient sustainable materials for energy‐storage devices, such Li‐ion batteries, is of crucial future importance. Herein, the preparation of carbon nanofibres from biopolymer blends of lignin (byproduct from the paper and pulp industry) and polylactic acid (PLA) or a thermoplastic elastomeric polyurethane (TPU) is described. SEM analysis shows the evolving microstructural morphology after each processing step (electrospinning, stabilisation and carbonisation). Importantly, it is possible to tailor the nanofibre porosity by utilising miscibility/immiscibility rules between lignin and the polymer additive (PLA/TPU). PLA blends (immiscible) generate porous structures whereas miscible lignin/TPU blends are solid when carbonised. Electrodes produced from 50 % PLA blends have capacity values of 611 mAh g−1 after 500 charge/discharge cycles, the highest reported to date for sustainable electrodes for Li‐ion batteries. Thus, this work will promote the development of lignocellulose waste materials as high‐performance energy‐storage materials.

opencc-by-4.0Jan 2020View details →

Supplementary files for "Effect of Alkali and Trivalent Metal Ions on the High-Pressure Phase Transition of [C2H5NH3]MI0.5MIII0.5(HCOO)3 (MI=Na, K and MIII=Cr, Al) Heterometallic Perovskites"

DFT optimised structures and phonon data of [C2H5NH3] (ethylamonium, EtA) based formate perovskites EtANaCr, EtANaAl and EtAKCr. The zip-files Phonons-XXX contain the calculated force constants, the frequencies at the gamma point, the calculated density of states and the thermal properties.

opencc-by-4.0Dec 2019View details →

Atom probe tomography data collection from DIN 1.4970 (15-15Ti) austenitic stainless steel irradiated with Fe ions

This dataset comprises a large collection of atom probe tomography datasets collected from DIN 1.4970 alloy that was irradiated with Fe ions at different conditions. The DIN 1.4970 alloy is an austenitic stainless steel with 15 wt% Cr, 15 wt% Ni, a small addition of Ti. The full composition and characterization of our material can be found published elsewhere [1,2]. Some of our material was subjected to ageing heat treatments at different temperatures for different times. Small samples of our original material and aged material was irradiated at the Michigan Ion Beam Laboratory in 2017 with 4.5 MeV Fe ions up to 40 dpa at an average dose rate of \(2 \times 10^{-4}\) dpa/s. This was done at three different temperatures: 300, 450, and 600 ºC. Atom probe samples were made of the irradiated layers (approximately 1.5 micron deep) with focused ion beam and mounted on Microtip coupons. APT measurements took place on three CAMECA LEAP-HR systems located at CAES in Idaho Falls, USA (files beginning with R33), at Montanuniversität Leoben in Leoben, Austria (R21) and at Friedrich–Alexander University in Erlangen, Germany (R56). The contents of this archive are: <ul> <li>A folder containing the raw RHIT files</li> <li>A folder containing all the reconstructions and miscelaneous analysis files made by the author</li> <li>An excel file which indicates which measurement number stands for what material</li> <li>A suggested range file</li> </ul> The RHIT files can only be used if one has access to the full IVAS 3.x version in order to make new reconstructions. The reconstructions and analysis folder can be useful to anyone. The folder buildup structure is similar to a project folder created by IVAS and should be directly importable into IVAS. Most folders are simply named after the RHIT file they were constructed from, though some have slightly modified names to include date of creation, extra information,... Inside all these folders you will find the recons folder and inside multiple reconstructions. At the deepest level you will find .pos files which can be read into free software such as python or <a href="http://threedepict.sourceforge.net/">3depict</a>. The range file that will give decent results on all these measurements is given at the top level; slight modifications may need to be applied for each measurement. Inside all folders you will also find numerous files (csv, png, jpg, ...) that were created by analyzing the data in IVAS. Sometimes the file names are very descriptive, sometimes less so. Sometimes these files were not saved to the default analysis folder but elsewhere on my drive. To be complete, I have moved all of these files into the top level folder. Therefore, besides the imagoAnalysis and recons folders, you will sometimes find additional folders and files in the folder. By different merging procedures, there may be multiple copies of the same files present as well. Unfortunately, the reconstructions and analysis folder is rather chaotic, as is the nature of file creation by IVAS. It is most instructive to start with the excel file at the top level of the archive. The first sheet contains some information, mostly the same as mentioned here. The second sheet pertains to the ion irradiations that were performed. The table colunms are self explanatory. Each irradiated sample was given a particular alias (first column), which relates it to the slot in the storage box in which it is stored. 5 different materials appear in the irradiations: <ul> <li>T24 = tube, 24% cold worked. This represents the material as it was received from the manufacturer.</li> <li>T24-800C2h = the as-received material with an ageing heat treatment of 2 hours for 800 ºC applied.</li> <li>T24-600C4h = the as-received material with an ageing heat treatment of 4 hours for 600 ºC applied.</li> <li>T24-600C2868h = the as-received material with an ageing heat treatment of 2868 hours for 600 ºC applied.</li> <li>T46 = tube 46% cold worked. This represents another material received from the manufacturer</li> <li>AIM1 = another related material with a higher P and Si content obtained from another research institute</li> </ul> All these materials were irradiated under different conditions as given in the subsequent columns. The irradiation parameters were drawn directly from reports produced by the lab, but we suspect some typos slipped into the reports. We do know for certain that the samples were irradiated up to a surface dose of 40 dpa, at least according to a <a href="http://www.srim.org/">SRIM calculation</a> with the K-P model. Atom probe results only pertain to T24 and T24-800C2h. A few measurements were conducted on T24-600C4h material but this material was not irradiated. The last sheet gives an overview of all the APT measurements included in this archive. The first column pertains to the sample alias in sheet 2: the irradiated disc from which the samples were made. The sample detail column details the history of the sample for convenience: T24 - <heat treatment conditions> - <irradiation conditions>. When in doubt, one can look up the sample alias in sheet 2. The filename pertains to the APT measurement RHIT file. For the 3 measurements performed in Leoben, RHIT files are not included in this archive. Finally a few details such as approximate ion count and some comments are included for some measurements. Funding: This work was supported by ENGIE [contract number 2015-AC-007 e BSUEZ6900]; the U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office Contract DE-AC07- 051D14517 as part of a Nuclear Science User Facilities experiment; and by the MYRRHA program in development at SCK-CEN, Belgium. Funding of the Austrian BMVIT (846933) in the framework of the program "Production of the future" and the "BMVIT Professorship for Industry" is gratefully acknowledged.   <a href="https://www.sciencedirect.com/science/article/pii/S0022311518300485">[1] N. Cautaerts, R. Delville, E. Stergar, D. Schryvers, M. Verwerft, Tailoring the Ti-C Nanoprecipitate Population and Microstructure of Titanium Stabilized Austenitic Steels, J. Nucl. Mater. 507 (2018) 177–187. doi:10.1016/j.jnucmat.2018.04.041.</a>   <a href="https://www.sciencedirect.com/science/article/pii/S1359645418308103">[2] N. Cautaerts, R. Delville, E. Stergar, D. Schryvers, M. Verwerft, Characterization of (Ti,Mo,Cr)C Nanoprecipitates in an Austenitic Stainless Steel on the Atomic Scale, Acta Mater. 164 (2018) 90–98. doi:10.1016/J.ACTAMAT.2018.10.018.</a>

opencc-by-4.0Jun 2018View details →

Fig 1 in Essential oils from Citrus x aurantium and Citrus x latifolia (Rutaceae) have anesthetic activity and are effective in reducing ion loss in silver catfish (Rhamdia quelen)

Fig 1. Net ion (Na+, K+, Cl̅) fluxes (a-b) and ammonia excretion (c-d) in silver catfish through 8 h of exposure to essential oils of Citrus x aurantium (EOCA) and Citrus x latifolia (EOCL). Values are means ± SEM. Different letters indicate significant differences between treatments (P <0.05). Positive values indicate net influxes and negative values net effluxes.

opencc-zeroMar 2020View details →

IODP Expedition 362 Ion chromatography

Cation and anion concentration in interstitial water samples was measured by ion chromatography using a conductivity detector. Cation analytes include calcium, magnesium, potassium, and sodium. Anion analytes include chloride, sulfate, and bromide.

opencc-zeroMar 2020View details →

IODP Expedition 366 Ion chromatography