cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.25582/data.2022-11.2633681/2211821
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-10.2625932/2211822
title: Data for EMSL Project 51287 from October 2022
DOI: 10.25582/data.2022-11.2630491/2211823
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-11.2633668/2211824
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-11.2637457/2211825
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-11.2633266/2211826
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-11.2633645/2211827
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-10.2627885/2211828
title: Data for EMSL Project 51287 from October 2022
DOI: 10.25582/data.2022-11.2634108/2211829
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-10.2626342/2211830
title: Data for EMSL Project 51287 from October 2022
DOI: 10.25582/data.2022-11.2633406/2211831
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-11.2634570/2211832
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-11.2634853/2211833
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-10.2626377/2211834
title: Data for EMSL Project 51287 from October 2022
DOI: 10.25582/data.2022-11.2633131/2211835
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-11.2634299/2211836
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-11.2634854/2211837
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-11.2631919/2211838
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-11.2634036/2211839
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-11.2634218/2211840
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-11.2634179/2211841
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-11.2634589/2211842
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-10.2625762/2211843
title: Data for EMSL Project 51287 from October 2022
DOI: 10.25582/data.2022-11.2633154/2211844
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-10.2624922/2211845
title: Data for EMSL Project 51287 from October 2022
DOI: 10.25582/data.2022-10.2625142/2211846
title: Data for EMSL Project 51287 from October 2022
DOI: 10.25582/data.2022-11.2632018/2211847
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-11.2634947/2211848
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-11.2634787/2211849
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-11.2634166/2211850
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-11.2630023/2211851
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-11.2630175/2211852
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-11.2641198/2211853
title: Data for EMSL Project 51287 from November 2022
DOI: 10.25582/data.2022-11.2632988/2211854
title: Data for EMSL Project 51287 from November 2022
DOI: 10.6084/m9.figshare.24920844
title: XRD, XRF, and microIR / FTIR data of Lonar crater basalts, impactites, soils, and shocked soils

description: .raw files are processed XRD data files.xls files contain XRF normalized data.dat files and corresponding .hdr files are microIR or FTIR images with 30-micron resolution<br>
DOI: 10.5281/zenodo.10444963
title: Engaging urban residents in the appropriate actions to mitigate human–wildlife conflicts

description: Data that supports the following publication: Puri, M., Goode, K.O., Johannsen, K.L., and Pienaar, E.F. (2024) Engaging urban residents in the appropriate actions to mitigate human–wildlife conflicts. Conservation Science and Practice.

Article DOI: 10.1111/csp2.13074
DOI: 10.5281/zenodo.10444964
title: Engaging urban residents in the appropriate actions to mitigate human–wildlife conflicts

description: Data that supports the following publication: Puri, M., Goode, K.O., Johannsen, K.L., and Pienaar, E.F. (2024) Engaging urban residents in the appropriate actions to mitigate human–wildlife conflicts. Conservation Science and Practice.

Article DOI: 10.1111/csp2.13074
DOI: 10.5281/zenodo.10445141
title: The new modular Sforzesco brace (MI-brace) is as effective as the classical one: a retrospective controlled study from a prospective cohort
DOI: 10.5281/zenodo.10445142
title: The new modular Sforzesco brace (MI-brace) is as effective as the classical one: a retrospective controlled study from a prospective cohort
DOI: 10.5281/zenodo.10050503
title: Data and code associated with the manuscript: Three centuries of snowpack decline at an Alpine pass revealed by cosmogenic paleothermometry and luminescence photochronometry

description: This dataset contains the data as well as the Matlab codes needed to reproduce the results in the following manuscript:
Guralnik, B., Tremblay, M.M., Phillips, M., Sellwood, E.L., Gribenski, N., Presl, R., Haberkorn, A., Sohbati, R., Shuster, D.L., Valla, P., Jain, M., Schindler, K., Hippe, K., and Wallinga, J., Three centuries of snowpack decline at an Alpine pass revealed by cosmogenic paleothermometry and luminescence photochronometry. 
This manuscript has been submitted to a peer-reviewed journal for publication. Briefly, this manuscript presents a novel combination of cosmogenic paleothermometery (quartz He-3) and luminescence photochronometery (feldspar IRSL), which jointly constrain the temperature and insolation history of three bedrock outcrops at the Gotthard Pass in Switzerland over the last ~15,000 years. 
The data include (1) measured concentrations of cosmogenic Be-10, C-14, and He-3 in quartz, (2) stepwise degassing experiments on proton irradiated quartz grains that are used to determine sample-specific He-3 diffusion kinetics, (3) best-fit multiple diffusion domain (MDD) models to the proton-induced He-3 diffusion experiments, (5) Natural radioactivity and calculated feldspar infrared stimulated luminescence (ISRL) dose rates, (6) feldspar ISRL depth profiles, and (7) high-resolution microrelief surface scans and analysis.
The code includes scripts necessary to reproduce the figures and results associated with this manuscript. The code is organized by figure into subfolders, and any data needed to reproduce a figure should be included in that folder. All original codes are distributed under the GNU General Public License. Codes written by others and utilized here are redistributed under their original license according to the terms and conditions therein, and are provided in the folder 'external.'
Any questions about original Matlab codes published here should be directed to Benny Guralnik, benny.guralnik@gmail.com.
DOI: 10.5281/zenodo.10444954
title: Data and code associated with the manuscript: Three centuries of snowpack decline at an Alpine pass revealed by cosmogenic paleothermometry and luminescence photochronometry

description: This dataset contains the data as well as the Matlab codes needed to reproduce the results in the following manuscript:

Guralnik, B., Tremblay, M.M., Phillips, M., Sellwood, E.L., Gribenski, N., Presl, R., Haberkorn, A., Sohbati, R., Shuster, D.L., Valla, P., Jain, M., Schindler, K., Wallinga, J., and Hippe, K., Three centuries of snowpack decline at an Alpine pass revealed by cosmogenic paleothermometry and luminescence photochronometry. 

Briefly, this manuscript presents novel datasets of cosmogenic paleothermometery (quartz He-3) and luminescence photochronometery (feldspar IRSL), whose pairing constrains the temperature and insolation history of three bedrock outcrops at the Gotthard Pass in Switzerland over the last ~15,000 years. 

The data include (1) measured concentrations of cosmogenic Be-10, C-14, and He-3 in quartz, (2) stepwise degassing experiments on proton irradiated quartz grains that are used to determine sample-specific He-3 diffusion kinetics, (3) best-fit multiple diffusion domain (MDD) models to the proton-induced He-3 diffusion experiments, (5) Natural radioactivity and calculated feldspar infrared stimulated luminescence (ISRL) dose rates, (6) feldspar ISRL depth profiles, and (7) high-resolution microrelief surface scans and analysis.

The code includes scripts necessary to reproduce the figures and results associated with this manuscript. The code is organized by figure into subfolders, and any data needed to reproduce a figure should be included in that folder. All original codes are distributed under the GNU General Public License. Codes written by others and utilized here are redistributed under their original license according to the terms and conditions therein, and are provided in the folder 'external.'

Any questions about original Matlab codes published here should be directed to Benny Guralnik, benny.guralnik@gmail.com.
DOI: 10.34740/kaggle/dsv/7309324
title: Synthetic Demographic Dataset
DOI: 10.34740/kaggle/dsv/7309320
title: Linear equations in 1 variable
DOI: 10.5281/zenodo.10445176
title: Impacts of Strain-insensitive Soft Phonon Modes on the Lattice Thermal Transport: A Comparative Study of A2XB6-type Perovskites
DOI: 10.5281/zenodo.10445177
title: Impacts of Strain-insensitive Soft Phonon Modes on the Lattice Thermal Transport: A Comparative Study of A2XB6-type Perovskites
DOI: 10.21227/xrmc-mv79
title: TAVR navigator system

description: Clinical/Lab Data Quantitative Continuous age (years), height (cm), weight (kg), bmi (kg/m2) - Body Mass Index, hemoglobin(g/dL) - Hemoglobin concentration, hba1c (%) - Glycated Hemoglobin, ast (U/L) -Aspartate Aminotransferase, alt (U/L) - Alanine Aminotransferase, creatinine (mg/dL),nt proBnp (pg/mL) - N-terminal pro b-type Natriuretic PeptideCategorical Nominal gender (Male/Female), smoking status (Smoker/Non-smoker), htn (Yes/No) - Hypertension,dm (Yes/No) - Diabetes Mellitus, ckd (Yes/No) - Chronic Kidney DiseaseVital Data Quantitative Continuous sBP (mmHg) - Systolic Blood Pressure, dBP (mmHg) - Diastolic Blood Pressure,pulse rate (bpm) - Heart Rate, respiratory rate (bpm)ECG Data Quantitative Continuous pr interval (ms), qrs interval (ms), baseline qrs interval (ms), delta pr interval (ms) -Change in PR Interval, delta qrs interval (ms) - Change in QRS IntervalCategorical Nominal rbbb (Yes/No), lbbb (Yes/No), new onset rbbb (Yes/No), new onset lbbb (Yes/No),first av blcok (Yes/No) - Delayed atrioventricular conduction, pacemaker (Yes/No)Cardiac CT/Echo Data Quantitative Continuous lvot diameter (mm) - Left Ventricular Outflow Tract Diameter, valves pressure (mmHg)- Pressure gradient across heart valves, left ventricle size (mm) - Dimension or volumeof the left ventricleMedicine Categorical Ordinal asa (Yes/No) - Aspirin, AntiPlatelet (Yes/No), Anticoagulants (Yes/No), beta blocker(Yes/No), ccb (Yes/No) - Calcium Channel Blocker, acei arb (Yes/No) - ACE inhibitorsor ARBs, diuretics (Yes/No), aldosterone antagonist (Yes/No)
DOI: 10.34740/kaggle/dsv/7309577
title: Printed Digits Dataset
DOI: 10.5519/qd.9d8bperb
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (27 records)
DOI: 10.5281/zenodo.6994780
title: Electronic Supporting Information for Catalytic Ammonia Oxidation to Dinitrogen by a Nickel Complex

description: The dataset provides electronic supporting information in the format of XYZ molecular files, formatted Gaussian checkpoint files, and cube files for atomic spin density distributions for selected complexes obtained while investigating the catalytic mechanism of ammonia oxidation to dinitrogen using a N-heterocyclic carbene containing nickelocene complex.


The level of theory used for all calculations is omega-B97xD with def2TZVP basis set. All calculations were performed using the Gaussian16 suite of programmes.


Model Set 1 contains the metal free compounds and were used to calculate the overall thermodynamics of the ammonia oxidation reaction.


Model Set 2 corresponds to the most truncated, in vacuo optimized structures.


Model Set 3 comprises from non-truncated, realistic structures embedded in polarizable continuum model of benzene.


 
description: Stephens D.N., Szilagyi R.K., Roehling P.N., Arulsamy N., Mock* M.T.: 

Catalytic Ammonia Oxidation to Dinitrogen by a Nickel Complex

Angewandte Chemie, International Edition, 2022, 62(1), e202213462 




DOI: 10.1002/anie.202213462
DOI: 10.5281/zenodo.6994781
title: Electronic Supporting Information for Catalytic Ammonia Oxidation to Dinitrogen by a Nickel Complex

description: The dataset provides electronic supporting information in the format of XYZ molecular files, formatted Gaussian checkpoint files, and cube files for atomic spin density distributions for selected complexes obtained while investigating the catalytic mechanism of ammonia oxidation to dinitrogen using a N-heterocyclic carbene containing nickelocene complex.


The level of theory used for all calculations is omega-B97xD with def2TZVP basis set. All calculations were performed using the Gaussian16 suite of programmes.


Model Set 1 contains the metal free compounds and were used to calculate the overall thermodynamics of the ammonia oxidation reaction.


Model Set 2 corresponds to the most truncated, in vacuo optimized structures.


Model Set 3 comprises from non-truncated, realistic structures embedded in polarizable continuum model of benzene.


 
description: Stephens D.N., Szilagyi R.K., Roehling P.N., Arulsamy N., Mock* M.T.: 

Catalytic Ammonia Oxidation to Dinitrogen by a Nickel Complex

Angewandte Chemie, International Edition, 2022, 62(1), e202213462 




DOI: 10.1002/anie.202213462
DOI: 10.5281/zenodo.8211908
title: Seamount subduction and accretion dynamics of the Franciscan complex

description: Dataset for "Seamount subduction and accretion dynamics of the Franciscan complex"by Bonnet et al.

- D1: Sample location, description and mineralogy

- D2 : Bulk rock analyses

- D3 : EPMA data

- D4 : Synthesis of temperatures from Raman Spectroscopy of Carbonaceous Material

- D5 : Titanite U-Pb-trace element data

- D6 : Zircon U-Pb-trace element data
DOI: 10.5281/zenodo.8211909
title: Seamount subduction and accretion dynamics of the Franciscan complex

description: Dataset for "Seamount subduction and accretion dynamics of the Franciscan complex"by Bonnet et al.

- D1: Sample location, description and mineralogy

- D2 : Bulk rock analyses

- D3 : EPMA data

- D4 : Synthesis of temperatures from Raman Spectroscopy of Carbonaceous Material

- D5 : Titanite U-Pb-trace element data

- D6 : Zircon U-Pb-trace element data
DOI: 10.25345/c5vq2sn1s
title: MassIVE MSV000093740 - john-hopkins-human-serum-data-backup-PRM-pos-philic
title: Project is john hopkins humna serum project, this project we try to search the biomarker candidates by comparing infected progressors and infected non-progressors. This is data backup for the positive mode polar HILIC column dataset.
DOI: 10.25345/c5qz22t8w
title: MassIVE MSV000093741 - john-hopkins-human-serum-data-backup-PRM-neg-philic
title: Project is john hopkins humna serum project, this project we try to search the biomarker candidates by comparing infected progressors and infected non-progressors. This is data backup for the negative mode polar HILIC column dataset.
DOI: 10.25345/c5m61c14g
title: MassIVE MSV000093742 - john-hopkins-human-serum-data-backup-PRM-pos-pc18
title: Project is john hopkins humna serum project, this project we try to search the biomarker candidates by comparing infected progressors and infected non-progressors. This is data backup for the positive mode polar C18 column dataset.
DOI: 10.25345/c5gf0n697
title: MassIVE MSV000093743 - john-hopkins-human-serum-data-backup-PRM-neg-pc18
title: Project is john hopkins humna serum project, this project we try to search the biomarker candidates by comparing infected progressors and infected non-progressors. This is data backup for the negative mode polar C18 column dataset.
DOI: 10.5281/zenodo.6984109
title: Zeolite Templated Carbon Materials - DFTB Structural Database

description: Zeolite-templated carbon (ZTC) is a unique porous carbonaceous material in that its structure is ordered at the nanometre scale, enabling a representative periodic description at the atomistic level. A structural library for ZTC of varying compositions was created  using density functional tight binding (DFTB) potentials parameterized for materials science applications (matsci-0-3). We provide here  quantum chemical-refined structures of models with CH, CHO, CHON, CHOB, and CHOBN compositions with various degrees of heteroatom substitution. The "initial ZTC structure" files correspond to the initial model used in our work that was developed using molecular mechanics, empirical force fields. These structural models comprise the characteristic morphological features of highly porous carbon materials, such as open-blade surfaces, edges, saddles, and closed-strut formations, spanning a range of curvatures and characteristic sizes. The optimized structures in CIF and native DFTB file formats are organized in the "stationary structure" file based on the optimization pathways that lead to the stationary structures.


Secondly, we carried out alternating compression and expansion of the CHO model unit cell to determine the lowest energy structure as well as to obtain the bulk modulus. The file "bulk modulus" contains two data sets that describe the deformational energy landscape of pure faujasite zeolite, Na-substituted zeolite, and the ZTC model structure.


The file "analysis tools" is a representative compilation of utilities for file format conversion, fractional vs. Cartesian crystal coordinates, and structural analysis spreadsheets.


The agreement between experimental measurements and the computational model is remarkable that demonstrates the power of approximate density functional theory as a cost-effective computational tool with chemical accuracy for the investigation of structure/property relationships in real-world carbon-based solids.
description: Szilagyi* R.K., Stadie N.P., Irle S., Nishihara H.: Mechanical Properties of Zeolite-Templated Carbons from Approximate Density Functional Theory Calculations  Carbon Reports, 2022, 1(4), 231-240 (Thematic Issue: Atomic Design of Carbon Materials)  DOI: 10.7209/carbon.010407




also reported in Carbon (meeting abstract), 2023, 203, 896 DOI: 10.1016/j.carbon.2022.11.066
DOI: 10.5281/zenodo.6984110
title: Zeolite Templated Carbon Materials - DFTB Structural Database

description: Zeolite-templated carbon (ZTC) is a unique porous carbonaceous material in that its structure is ordered at the nanometre scale, enabling a representative periodic description at the atomistic level. A structural library for ZTC of varying compositions was created  using density functional tight binding (DFTB) potentials parameterized for materials science applications (matsci-0-3). We provide here  quantum chemical-refined structures of models with CH, CHO, CHON, CHOB, and CHOBN compositions with various degrees of heteroatom substitution. The "initial ZTC structure" files correspond to the initial model used in our work that was developed using molecular mechanics, empirical force fields. These structural models comprise the characteristic morphological features of highly porous carbon materials, such as open-blade surfaces, edges, saddles, and closed-strut formations, spanning a range of curvatures and characteristic sizes. The optimized structures in CIF and native DFTB file formats are organized in the "stationary structure" file based on the optimization pathways that lead to the stationary structures.


Secondly, we carried out alternating compression and expansion of the CHO model unit cell to determine the lowest energy structure as well as to obtain the bulk modulus. The file "bulk modulus" contains two data sets that describe the deformational energy landscape of pure faujasite zeolite, Na-substituted zeolite, and the ZTC model structure.


The file "analysis tools" is a representative compilation of utilities for file format conversion, fractional vs. Cartesian crystal coordinates, and structural analysis spreadsheets.


The agreement between experimental measurements and the computational model is remarkable that demonstrates the power of approximate density functional theory as a cost-effective computational tool with chemical accuracy for the investigation of structure/property relationships in real-world carbon-based solids.
description: Szilagyi* R.K., Stadie N.P., Irle S., Nishihara H.: Mechanical Properties of Zeolite-Templated Carbons from Approximate Density Functional Theory Calculations  Carbon Reports, 2022, 1(4), 231-240 (Thematic Issue: Atomic Design of Carbon Materials)  DOI: 10.7209/carbon.010407




also reported in Carbon (meeting abstract), 2023, 203, 896 DOI: 10.1016/j.carbon.2022.11.066
DOI: 10.25919/44by-nt92
title: Parkes observations for project P1171 semester 2023OCTS_11

description: The origin of Fast Radio Bursts (FRBs) is still unclear with a plethora of theoretical models for their origin. Several models predict associated multi-wavelength emission, but previous searches for optical, X-ray or gamma-ray counterparts of FRBs have not led to any detection. The Galactic magnetar SGR 1935+2154A has been observed to simultaneously emit FRB-like bursts and X-ray flares, which suggests that also extragalactic FRB sources may exhibit X-ray counterparts.
 
 Because of the high cost of X-ray satellites and in face of the relatively low FRB detection probability in their small field of view, coordinated radio and X-ray observations are logistically very difficult to set up. We propose a new approach using the X-ray satellite XMM-Newton and the Parkes/Murriyang radio telescope to put constraints on the theoretical models: We aim to conduct shadowing observations with the Parkes telescope to search for new FRBs in fields that are simultaneously covered by XMM-Newton. We hereby target regular XMM observations of nearby (low-z) galaxies, to increase our detection chances of possibly associated X-ray emission. In case of an FRB detection in the radio band, we will have guaranteed simultaneous X-ray coverage and will get detailed information about the associated X-ray spectrum and light curve since all XMM-Newton data will become public a year after the observation.
DOI: 10.25919/18pg-yt60
title: Parkes observations for project P1226 semester 2023OCTS_19

description: Fast Radio Bursts(FRBs) are often proposed as useful cosmological probes, however much work is needed to better understand the foreground environment that it propgates through, such as the Galactic ISM and Milky Way Halo. We propose to observe three satellite dwarf spheroidal galaxies of the Milky Way to search for FRBs and pulsars. We plan to take advantage of the new CryoPAF's wide field of view to survey high stellar density dwarf satellite galaxies with substantial angular sizes: Fornax, Sculptor and Sagittarius II. Detections of FRBs and pulsars will allow us to measure the Circumgalactic Medium contribution to FRB dispersion and also the dark matter halos of these dwarf galaxies.