cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.4534425
title: Observational predictions for Thorne–Zytkow objects

description: Model data, input files, and plotting scripts for the paper : Observational predictions for Thorne–Zytkow objects
 
Abstract
Thorne–Zytkow objects (TZO) are potential end products of the merger of a neutron star with a non-degenerate star. In this work, we have computed the first grid of evolutionary models of TZOs with the MESA stellar evolution code. With these models, we predict several observational properties of TZOs, including their surface temperatures and luminosities, pulsation periods, and nucleosynthetic products. We expand the range of possible TZO solutions to cover $3.45\( \lesssim\) log (T/Teff) \( \lesssim\) 3.65 and 4.85 \( \lesssim\)log (L/L_sun) \( \lesssim\)5.5. Due to the much higher densities our TZOs reach compared to previous models, if TZOs form we expect them to be stable over a larger mass range than previously predicted, without exhibiting a gap in their mass distribution. Using the GYRE stellar pulsation code we show that TZOs should have fundamental pulsation periods of 1000--2000 days, and period ratios of ~0.2--0.3. Models computed with a large 399 isotope fully-coupled nuclear network show a nucleosynthetic signal that is different to previously predicted. We propose a new nucleosynthetic signal to determine a star's status as a TZO: the isotopologues  \(^{44}\rm{Ti O}\) and \(^{44}\rm{Ti O_2}\), which will have a shift in their spectral features as compared to stable titanium-containing molecules. We find that in the local Universe (~SMC metallicities and above) TZOs show little heavy metal enrichment, potentially explaining the difficulty in finding TZOs to-date.
 
MESA version: r22.11.1
DOI: 10.5281/zenodo.5929870
title: Nucleosynthesis of binary-stripped stars.

description: The cosmic origin of the elements, the fundamental chemical building blocks of the Universe, is still uncertain. Binary interactions play a key role in the evolution of many massive stars, yet their impact on chemical yields is poorly understood. Using the MESA stellar evolution code we predict the chemical yields ejected in wind mass loss and the supernovae of single and binary-stripped stars. We do this with a large 162 isotope nuclear network at solar-metallicity. We find that binary-stripped stars are more effective producers of the elements than single stars, due to their increased mass loss and an increased chance to eject their envelopes during a supernova. This increased production by binaries varies across the periodic table, with \fluorine[] and \potassium[] being more significantly produced by binary-stripped stars than single stars. We find that the \carbon[12]/\carbon[13] could be used as an indicator of the conservativeness of mass transfer, as \carbon[13] is preferentially ejected during mass transfer while \carbon[12] is preferentially ejected during wind mass loss. We identify a number of gamma-ray emitting radioactive isotopes that may be used to help constrain progenitor and explosion models of core-collapse supernovae with next-generation gamma-ray detectors. For single stars we find \vanadium[44] and \manganese[52] are strong probes of the explosion model, while for binary-stripped stars it is \chromium[48]. Our findings highlight that binary-stripped stars are not equivalent to two single stars and that detailed stellar modelling is needed to predict their final nucleosynthetic yields.
 
MESA version: 12115
 
This dataset contains the inlists, output from MESA, scripts, and data tables used in this publication.
 
The tables folder contains the chemical yields for all models, isotopes, and mass loss processes.
 
Accepeted for publication in ApJ
DOI: 10.5281/zenodo.5929871
title: Nucleosynthesis of binary-stripped stars.

description: The cosmic origin of the elements, the fundamental chemical building blocks of the Universe, is still uncertain. Binary interactions play a key role in the evolution of many massive stars, yet their impact on chemical yields is poorly understood. Using the MESA stellar evolution code we predict the chemical yields ejected in wind mass loss and the supernovae of single and binary-stripped stars. We do this with a large 162 isotope nuclear network at solar-metallicity. We find that binary-stripped stars are more effective producers of the elements than single stars, due to their increased mass loss and an increased chance to eject their envelopes during a supernova. This increased production by binaries varies across the periodic table, with \fluorine[] and \potassium[] being more significantly produced by binary-stripped stars than single stars. We find that the \carbon[12]/\carbon[13] could be used as an indicator of the conservativeness of mass transfer, as \carbon[13] is preferentially ejected during mass transfer while \carbon[12] is preferentially ejected during wind mass loss. We identify a number of gamma-ray emitting radioactive isotopes that may be used to help constrain progenitor and explosion models of core-collapse supernovae with next-generation gamma-ray detectors. For single stars we find \vanadium[44] and \manganese[52] are strong probes of the explosion model, while for binary-stripped stars it is \chromium[48]. Our findings highlight that binary-stripped stars are not equivalent to two single stars and that detailed stellar modelling is needed to predict their final nucleosynthetic yields.
 
MESA version: 12115
 
This dataset contains the inlists, output from MESA, scripts, and data tables used in this publication.
 
The tables folder contains the chemical yields for all models, isotopes, and mass loss processes.
 
Accepeted for publication in ApJ
DOI: 10.5281/zenodo.8136507
title: MODIS-VIIRS Cloud Regimes

description: The MODIS-VIIRS Cloud Regimes are a discrete classification of cloud fields at the mesoscale as observed by the VIIRS sensors aboard the Suomi-NPP and NOAA-20 satellites, as well as the MODIS sensor aboard the Aqua satellite using the Continuity algorithm. Derived by applying the k-means clustering algorithm to joint-histograms of cloud top pressure and cloud optical thickness, the cloud regimes represent different atmospheric systems based on their cloud signatures. This MODIS-VIIRS Cloud Regimes dataset is an independently derived dataset which can be viewed as an extension of the work that produced the MODIS Cloud Regimes (Cho et al. 2021, Oreopoulos 2021).
The MODIS-VIIRS Cloud Regimes are derived similarly by applying a k-means clustering algorithm to the joint-histograms at equal-area grids of 110 km every 3-h generated from granule (Level-2) cloud products available from the Continuity Algorithm "CLDPROP" applied on observations by the MODIS Aqua, VIIRS Suomi-NPP, and VIIRS NOAA-20 sensors during the period of March 2018 to February 2023. A cluster number of k = 11 was selected, which when including a clear sky regime gives a total of 12 MODIS-VIIRS Cloud Regimes. Each histogram is then assigned to the nearest k-means centroid to obtain its regime membership. Two variants of the VIIRS Cloud Regimes are available: (1) a 3-h product in the original 110-km native resolution of its derivation, and (2) a 3-h product derived from the 110-km product by nearest neighbor interpolation to 1°.
Cho, N., J. Tan, and L. Oreopoulos, 2021: Classifying planetary cloudiness with an updated set of MODIS Cloud Regimes. J. Appl. Meteorol. Climatol., 60, 981–997, https://doi.org/10.1175/JAMC-D-20-0247.1.
Oreopoulos, L., 2021: MODIS CR Equal Area 3-Hour. https://doi.org/10.5067/MEASURES/MODISCR/EQAR3H/DATA301.
DOI: 10.14473/csda/uuts7y
title: Rodina a zdraví (ISSP 2011-12) - Česká republika

description: Mezinárodní program výzkumů ISSP: ISSP (International Social Survey Programme) je dlouhodobý mezinárodní výzkumný projekt, který existuje od roku 1983. Tento výzkumný projekt je založen na mezinárodní a meziprojektové spolupráci v oblasti výzkumu v sociálních vědách. Je zaměřen na významná témata týkající se postojů. ISSP kombinuje dvě roviny srovnání - srovnání v mezinárodní a v časové perspektivě. Výzkumné aktivity probíhají nepřetržitě v ročních cyklech. Výzkum vztahu mezi rodinným životem a psychickým a fyzickým zdravím je jedním z velkých témat současné sociologické, demografické a epidemiologické literatury. Na jednu stranu vzbuzuje zájem otázka, jak rodinný stav a rodičovství ovlivňuje zdraví a chování jedince, na druhou stranu rostoucí počet studií začíná věnovat pozornost otázce, jak se rodiny mění a přizpůsobují situaci, kdy se musí starat o nemocného člena. Důležitost vztahu mezi rodinou a zdravím je zdokumentovaná v celé řadě zemí. Srovnávací výzkumy jsou relativně málo časté, ačkoliv existuje řada teoretických i empirických důvodů, proč by tento vztah měl být závislý na sociálním kontextu a ačkoliv by srovnávací výzkum mohl zásadně přispět k vysvětlení daného vztahu. Cílem tohoto projektu je proto zkoumat vztah mezi rodinou a zdravím, a to jak v českém národním kontextu, tak v mezinárodním srovnání. Součástí projektu je účast na mezinárodním srovnávacím programu ISSP (ISSP 2011 – Zdraví a ISSP 2012 Rodina a měnící se gender role).
DOI: 10.5281/zenodo.10044309
title: stack traces Infologic
DOI: 10.5281/zenodo.10044310
title: stack traces Infologic
DOI: 10.5281/zenodo.10044347
title: Indexed tree-ring oak chronologies from Vitsebsk region, Belarus

description: The dataset includes two indexed tree-ring oak chronologies which combines subfossil wood (Luchosa river), wood from Polotsk Saviour's Transfiguration Church, and wood from archaeological excavations in Vitsebsk and Polotsk (Northern Belarus). Both chronologies were absolute dated against chronologies from the neighboring regions as well as Baltic timber imported to the Western Europe (Baltic 1, 2, 3 chronologies).
DOI: 10.5281/zenodo.10044346
title: Indexed tree-ring oak chronologies from Vitsebsk region, Belarus

description: The dataset includes two indexed tree-ring oak chronologies which combines subfossil wood (Luchosa river), wood from Polotsk Saviour's Transfiguration Church, and wood from archaeological excavations in Vitsebsk and Polotsk (Northern Belarus). Both chronologies were absolute dated against chronologies from the neighboring regions as well as Baltic timber imported to the Western Europe (Baltic 1, 2, 3 chronologies).
DOI: 10.6084/m9.figshare.24442183
title: plant

description: Plant species for SynGAP master coreset
DOI: 10.6084/m9.figshare.24442183.v1
title: plant

description: Plant species for SynGAP master coreset
DOI: 10.5519/qd.oavsh9af
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (4093 records)
DOI: 10.5281/zenodo.10017803
title: Dataset on the Laser-induced graphitization of polydopamine on titania nanotubes

description: The following dataset contains various research data that is the basis for the research article: "Laser-induced graphitization of polydopamine on titania nanotubes".
This dataset contains the following folders corresponding to the techniques and procedures used in the paper:- DFT (.hdf5 libraries containing quantum chemistry results described in the paper including atomic coordinates and density of states data)- Electropolymerization (.txt files containing cyclic voltammetry curves of electropolymerization)- IMPS_IMVS (a library of folders containing .raw and .dat files used in IMPS = Intensity Modulated Photocurrent Spectroscopy and IMVS = Intensity Modulated Photovoltage Spectroscopy measurements)- Nanoindentation (.xlsx files containing nanoindentation data)- Photocurrent_maps (.dat files used to build photocurrent maps)- Photoelectrochemical_sensing (.dat files of photoelectrochemical sensing experiments)- Photoelectrochemistry (.opju libraries containing massive amounts of electrochemical and photoelectrochemical results described in the paper including EIS = Electrochemical Impedance Spectroscopy, CV = Cyclic Voltammetry, CA = Chronoamperometry, Raman spectroscopy) - ReaxFF (.hdf5 libraries containing reactive molecular dynamics results)- SEM (.tiff SEM images)- Supplementary_fsTNT_PDA (a library of folders containing various supplementary data on loosely-spaced nanotubes including Raman, SEM, electrochemistry, and photoelectrochemistry data)- UV-vis (.csv files from diffuse reflectance spectroscopy measurements)- XPS (.xlsx files from X-Ray Photoelectron spectroscopy measurements)
DOI: 10.25345/c5154f05v
title: MassIVE MSV000093198 - SWATH data for human keratinocytes treated with erastin and reactive carbonyl species
title: SWATH data for Human keratinocytes (HaCaT cells), sample 001-004 is HaCaT cells without treatment, sample 005-008 is HaCaT cells treated by erastin, sample 009-012 is HaCaT cells treated by eraastin and methyglyoxal, and sample 013-016 is HaCaT cells treated by eraastin and glyoxal. For more detailed information, please contact Dr.Chang Liu (hichang813@uri.edu)
DOI: 10.13020/f13h-ax23
title: Simulation setup for Enthalpy of Mixing and Liquid Structure for Mixtures of Primary and Secondary Alcohols: Molecular Simulations and COSMO-SAC Calculations

description: The enthalpy of mixing provides information on the favorability of cross-interactions between two different chemical compounds, and it can be included in the training of activity coefficient models to capture the temperature dependence. Recently, Mathias highlighted that certain mixtures of primary and secondary alcohols exhibit exothermic mixing behavior, whereas mixtures of primary alcohols show the more common endothermic mixing behavior [Ind. Eng. Chem. Res. 2019, 58, 12465]. Here, we probe the mixing behavior of short-chain alcohols at T = 298 K and p = 1 atm through molecular simulations with the TraPPE–UA force field and molecular modeling with the COSMO-SAC activity coefficient model. Using their predictive modes (i.e., without tuning of the models), neither of these two computational approaches yields the exothermic mixing behavior for primary and secondary alcohols. To capture the exothermic mixing, we explore modifications of the TraPPE–UA force-field parameters to make the secondary CHOH group a better hydrogen-bond acceptor(through an increase of the partial charge on the oxygen atom), but also adding steric hindrance for hydrogen-bond formation between two secondary alcohols (through an increase of the Lennard-Jones diameter on the α-CH pseudoatom). Detailed analysis of the liquid structures for the neat phases and mixtures indicates that the tuned model yields slightly enhanced cross-association which results in a more significant shift from tetrameric to larger hydrogen-bonded aggregates than for the TraPPE–UA model, whereas neither model exhibits a significant change in the number of hydrogen bonds upon mixing. Thus, the simulations point to a shift from cyclic tetramers and pentamers with strained hydrogen bonds to larger, less strained aggregates as the underlying structural change for the exothermic mixing behavior of primary and secondary alcohols.
description: Source code, input files, and generic output files for molecular simulations in "Enthalpy of Mixing and Liquid Structure for Mixtures of Primary and Secondary Alcohols: Molecular Simulations and COSMO-SAC Calculations".
DOI: 10.14473/csda/u1ym99
title: Národní identita (ISSP 2013) - Česká republika

description: Mezinárodní program výzkumů ISSP: ISSP (International Social Survey Programme) je dlouhodobý mezinárodní výzkumný projekt, který existuje od roku 1983. Tento výzkumný projekt je založen na mezinárodní a meziprojektové spolupráci v oblasti výzkumu v sociálních vědách. Je zaměřen na významná témata týkající se postojů. ISSP kombinuje dvě roviny srovnání - srovnání v mezinárodní a v časové perspektivě. Výzkumné aktivity probíhají nepřetržitě v ročních cyklech. Národní identita se stala po roce 1989 v sociálních vědách významným výzkumným tématem. V první polovině 90. let dvacátého století došlo v Evropě k řadě událostí, které obrátily pozornost vědců k problematice národní identity - rozpad mnohonárodních států střední a východní Evropy (Jugoslávie, Ruska, Československa), sjednocení Německa, Maastrichtská smlouva a dvě vlny rozšiřování Evropské unie o státy střední a východní Evropy, zavedení evropské měny EURO a zrušení mnoha národních měn. Tyto a mnohé jiné události a procesy (národnostní problémy v Belgii, Španělsku, Spojeném království a Itálii, a imigrace z mimoevropských zemí) podnítily zájem o problematiku národní identity na celém světě. V roce 1995 výzkumná asociace ISSP poprvé realizovala ve 23 zemích světa včetně České republiky komparativní výzkumné šetření Národní identita I. Šetření Národní identita II byl znovu zopakováno v roce 2003 v 34 zemích světa včetně České republiky a jeho třetí vlna (Národní identita III) se uskuteční v roce 2013. Česká republika bude mít za sebou v roce 2013 dvacet let existence a téma národní identity patří do 8. Priority rozvoje české společnosti Národní politiky výzkumu a vývoje 2009 – 2015 (téma 4. Česká identita a okolní svět).
DOI: 10.14473/csda/q65nvn
title: Občanství (ISSP 2014) - Česká republika

description: Mezinárodní program výzkumů ISSP:ISSP (International Social Survey Programme) je dlouhodobý mezinárodní výzkumný projekt, který existuje od roku 1983. Tento výzkumný projekt je založen na mezinárodní a meziprojektové spolupráci v oblasti výzkumu v sociálních vědách. Je zaměřen na významná témata týkající se postojů. ISSP kombinuje dvě roviny srovnání - srovnání v mezinárodní a v časové perspektivě. Výzkumné aktivity probíhají nepřetržitě v ročních cyklech. Výzkum Občanství z roku 2014 usiloval prozkoumat široké spektrum témat týkajících se politiky, politických postojů a hodnocení, především se soustředil na občanské normy, hodnoty a jejich souvislost s politickou participací.
DOI: 10.6084/m9.figshare.24442444
title: Supplementary Tables and Information for publication by Burton et al., 2023 in Nature Communications Earth and Environment entitled "Exceptional eruptive CO2 emissions from intra-plate alkaline magmatism in the Canary volcanic archipelago"

description: Results from measurements of gas emissions from the 2012 Eruption of Tajogaite on La Palma, Canary Islands, Spain
DOI: 10.5281/zenodo.10017804
title: Dataset on the Laser-induced graphitization of polydopamine on titania nanotubes

description: The following dataset contains various research data that is the basis for the research article: "Laser-induced graphitization of polydopamine on titania nanotubes".
This dataset contains the following folders corresponding to the techniques and procedures used in the paper:- DFT (.hdf5 libraries containing quantum chemistry results described in the paper including atomic coordinates and density of states data)- Electropolymerization (.txt files containing cyclic voltammetry curves of electropolymerization)- IMPS_IMVS (a library of folders containing .raw and .dat files used in IMPS = Intensity Modulated Photocurrent Spectroscopy and IMVS = Intensity Modulated Photovoltage Spectroscopy measurements)- Nanoindentation (.xlsx files containing nanoindentation data)- Photocurrent_maps (.dat files used to build photocurrent maps)- Photoelectrochemical_sensing (.dat files of photoelectrochemical sensing experiments)- Photoelectrochemistry (.opju libraries containing massive amounts of electrochemical and photoelectrochemical results described in the paper including EIS = Electrochemical Impedance Spectroscopy, CV = Cyclic Voltammetry, CA = Chronoamperometry, Raman spectroscopy) - ReaxFF (.hdf5 libraries containing reactive molecular dynamics results)- SEM (.tiff SEM images)- Supplementary_fsTNT_PDA (a library of folders containing various supplementary data on loosely-spaced nanotubes including Raman, SEM, electrochemistry, and photoelectrochemistry data)- UV-vis (.csv files from diffuse reflectance spectroscopy measurements)- XPS (.xlsx files from X-Ray Photoelectron spectroscopy measurements)
DOI: 10.5281/zenodo.10043487
title: Crystal Structures of SARS-CoV-2 main protease with screening fragments and COVID Moonshot compounds from the XChem facility at Diamond Light Source

description: Bulk repositiory of structures of SARS-CoV-2 main protease in complex with fragment molecules from inital XChem screen and designed COVID Moonshot inhibtor compounds. Each structure has a PDB ID, coordinate file, structure factor file, ligand restraint (cif) and PANDDA event maps (as appropriate).
2023-10-26 - updated to include all initial fragment screening hits alongside follow up compounds
DOI: 10.5281/zenodo.8214527
title: Crystal Structures of SARS-CoV-2 main protease with screening fragments and COVID Moonshot compounds from the XChem facility at Diamond Light Source

description: Bulk repositiory of structures of SARS-CoV-2 main protease in complex with fragment molecules from inital XChem screen and designed COVID Moonshot inhibtor compounds. Each structure has a PDB ID, coordinate file, structure factor file, ligand restraint (cif) and PANDDA event maps (as appropriate).
2023-10-26 - updated to include all initial fragment screening hits alongside follow up compounds
DOI: 10.5281/zenodo.8214528
title: Crystal structures of SARS-CoV-2 main protease screened against COVID Moonshot compounds by X-ray Crystallography at the XChem facility of Diamond Light Source

description: Bulk repositiory of structures of SARS-CoV-2 main protease in complex with COVID Moonshot inhibtor compounds
DOI: 10.5281/zenodo.10043827
title: High-power intracavity single-cycle THz pulse generation using thin lithium niobate

description: This dataset is accompanying the paper "High-power intracavity single-cycle THz pulse generation using thin lithium niobate"Autocorrelation.txt: second harmonic generation noncollinear autocorrelation trace data. (measurement device: Femtochrome FR-103XL)
Spectrum.txt: optical spectrum (measurement device: APE wavescan)
RF_1Mspan.txt: radio frequency spectrum with 1 MHz span (measurement device: ROHDE & SCHWARZ FPC1000)
RF_1Gspan.txt: radio frequency spectrum with 1 GHz span (measurement device: ROHDE & SCHWARZ FPC1000)
EOS_THz_raw.h5: electro-optic sampling raw data of the THz measurement in HDF-5 format (measurement device: ROHDE & SCHWARZ RTM3004)
EOS_noise_raw.h5: electro-optic sampling raw data of the noise measurement in HDF-5 format (measurement device: ROHDE & SCHWARZ RTM3004)
THz_time.csv: processed electro-optic sampling data of the THz measurement in time
THz_freq.csv: processed electro-optic sampling data of the THz measurement in frequency
Dark_time.csv: processed electro-optic sampling data of the noise measurement in time
Dark_freq.csv: processed electro-optic sampling data of the noise measurement in frequency
DOI: 10.5517/ccdc.csd.cc25g4ld
title: CCDC 2009593: Experimental Crystal Structure Determination

description: Related Article: Julia Khusnutdinova, Ayumu Karimata, Pradnya Hukumchand Patil|2023|U.S.Patents|||
description: Related Article: Ayumu Karimata, Pradnya H. Patil, Robert R. Fayzullin, Eugene Khaskin, Sébastien Lapointe, Julia R. Khusnutdinova|2020|Chemical Science|11|10814|doi:10.1039/D0SC04442C
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc25g4mf
title: CCDC 2009594: Experimental Crystal Structure Determination

description: Related Article: Julia Khusnutdinova, Ayumu Karimata, Pradnya Hukumchand Patil|2023|U.S.Patents|||
description: Related Article: Ayumu Karimata, Pradnya H. Patil, Robert R. Fayzullin, Eugene Khaskin, Sébastien Lapointe, Julia R. Khusnutdinova|2020|Chemical Science|11|10814|doi:10.1039/D0SC04442C
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.