cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.18419/darus-1813
title: Replication data for "Amine-Linked Covalent Organic Frameworks as a Platform for Postsynthetic Structure Interconversion and Pore-Wall Modification"

description: Covalent organic frameworks have emerged as a powerful synthetic platform for installing and interconverting dedicated molecular functions on a crystalline polymeric backbone with atomic precision. Here, we present a novel strategy to directly access amine-linked covalent organic frameworks, which serve as a scaffold enabling pore-wall modification and linkage-interconversion by new synthetic methods based on Leuckart–Wallach reduction with formic acid and ammonium formate. Frameworks connected entirely by secondary amine linkages, mixed amine/imine bonds, and partially formylated amine linkages are obtained in a single step from imine-linked frameworks or directly from corresponding linkers in a one-pot crystallization-reduction approach. The new, 2D amine-linked covalent organic frameworks, rPI-3-COF, rTTI-COF, and rPy1P-COF, are obtained with high crystallinity and large surface areas. Secondary amines, installed as reactive sites on the pore wall, enable further postsynthetic functionalization to access tailored covalent organic frameworks, with increased hydrolytic stability, as potential heterogeneous catalysts. This dataset contains all data from analytical measurements including FT-IR spectra, calculated IR modes, raw XRD patterns, 1H, 13C, 15N and 1H/13C-HETCOR ssNMR spectra, N2 sorption isotherms, pore-size distributions, BET plots, SEM and TEM images, SEM-EDX spectra, quantum-chemically optimized structures, calculated NMR chemical shifts, reduced total scattering patterns, PDF analysis and Rietveld structure refinements of the journal article mentioned under the related publication. Open *.cif and *.xyz files with a visualization software (see http://ww1.iucr.org/iucr-top/cif/), *.raw files with WinXPOW, *.sp files with PerkinElmer Spectrum software, *.mnova files with MestReNova, *.fq/.gr/iq/sq files with a text editor, *.cdr files with CorelDraw 2020 and *.pro files with TOPAS.
DOI: 10.18419/darus-1816
title: Replication data of Lotsch group for: "Rational Design of Covalent Cobaloxime-Covalent Organic Framework Hybrids for Enhanced Photocatalytic Hydrogen Evolution"

description: All primary data files of measurements and processed data of the journal article mentioned under related publications from Lotsch group can be found here. This dataset contains all data from analytical measurements including Brunauer-Emmett-Teller (BET) analysis plots, NMR, FT-IR, SEM, UV-vis absorption, PL, PXRD and photocatalysis of the journal article mentioned under the related publication.
DOI: 10.5281/zenodo.8283005
title: SRBench Competition 2023 - Datasets, Scripts, and Results

description: Source-codes for: generating artificial datasets, evaluating the results and repositories for the SRBench Competition 2023: https://cavalab.org/srbench/competition-2023/
DOI: 10.5281/zenodo.8283004
title: SRBench Competition 2023 - Datasets, Scripts, and Results

description: Source-codes for: generating artificial datasets, evaluating the results and repositories for the SRBench Competition 2023: https://cavalab.org/srbench/competition-2023/
DOI: 10.5281/zenodo.8283003
title: micropsitta_keiensis_zanfona_1.fasta.gz

description: .
DOI: 10.5281/zenodo.8283002
title: micropsitta_keiensis_zanfona_1.fasta.gz

description: .
DOI: 10.5281/zenodo.7994630
title: Inlists for SN 2018gj: A Short-plateau Type II Supernova with Persistent Blue-shifted H-alphaEmission

description: We present the MESA inlists to generate models used in the research work "SN 2018gj: A Short-plateau Type II Supernova with Persistent Blue-shifted H-alpha Emission."
DOI: 10.5281/zenodo.7994631
title: Inlists for SN 2018gj: A Short-plateau Type II Supernova with Persistent Blue-shifted H-alphaEmission

description: We present the MESA inlists to generate models used in the research work "SN 2018gj: A Short-plateau Type II Supernova with Persistent Blue-shifted H-alpha Emission."
DOI: 10.5281/zenodo.8279761
title: Data for Non-Redundant Image Clustering of Early Medieval Glass Beads (DSAA 2023)

description: Archeological glass beads images with measurements (width, height, weight), pretrained models, resampled data (with less color bias) and clustering results from the paper Non-Redundant Image Clustering of Early Medieval Glass Beads (Accepted at DSAA 2023)
DOI: 10.5281/zenodo.8279760
title: Data for Non-Redundant Image Clustering of Early Medieval Glass Beads (DSAA 2023)

description: Archeological glass beads images with measurements (width, height, weight), pretrained models, resampled data (with less color bias) and clustering results from the paper Non-Redundant Image Clustering of Early Medieval Glass Beads (Accepted at DSAA 2023)
DOI: 10.6084/m9.figshare.24032811
title: MRA00714-23 (Pseudomonas selenosis str. ZE23JCel16 complete genome obtained through new R10.4.1 Nanopore Flow cell chemistry)

description: This repository contains information belonging to the manuscript intitled "MRA00714-23 (Pseudomonas selenosis str. ZE23JCel16 complete genome obtained through new R10.4.1 Nanopore Flow cell chemistry)"KEGG_annotation.txt : Proteome annotation with KO numbers in txt format.
DOI: 10.6084/m9.figshare.24032811.v1
title: MRA00714-23 (Pseudomonas selenosis str. ZE23JCel16 complete genome obtained through new R10.4.1 Nanopore Flow cell chemistry)

description: This repository contains information belonging to the manuscript intitled "MRA00714-23 (Pseudomonas selenosis str. ZE23JCel16 complete genome obtained through new R10.4.1 Nanopore Flow cell chemistry)"KEGG_annotation.txt : Proteome annotation with KO numbers in txt format.
DOI: 10.6084/m9.figshare.24032856
title: Participant Information Form phase 1

description: PiF explaining research and what it entails.
DOI: 10.6084/m9.figshare.24032856.v1
title: Participant Information Form phase 1

description: PiF explaining research and what it entails.
DOI: 10.5281/zenodo.8283026
title: agapornis_taranta_zanfona_1.fasta.gz

description: .
DOI: 10.5281/zenodo.8283025
title: agapornis_taranta_zanfona_1.fasta.gz

description: .
DOI: 10.5281/zenodo.7935442
title: Example input files for Wolf-Rayet star models in paper "Tidal Spin-up of Black Hole Progenitor Stars"

description: The files here show example input files for the models in the paper "Tidal Spin-up of Black Hole Progenitor Stars" by Ma & Fuller (2023). File "inlist_MS" and "inlist_WR" show MESA inlists to set up a Wolf-Rayet star model of 10 solar-masses (model 3 in Ma & Fuller 2023, Table 1).<br> We used MESA version r12778 for our calculation.<br> Specifically, "inlist_MS" starts a stellar model at zero-age main-sequence (ZAMS), and evolves it to the end of core hydrogen depletion.<br> After resuming the model from a photo file, "inlist_WR" turns on artificial mass-loss ("relax_mass" and "new_mass") to remove its hydrogen envelope, and then evolves the model throughout the helium burning Wolf-Rayet phase, until the end of core helium depletion.<br> During this phase, pulsation data are also created by MESA ("write_pulse_data_with_profile = .true."). <br> File "gyre.in" is an example GYRE input file to solve for oscillation modes in the established Wolf-Rayet star models.<br> We used GYRE version 6.0.1 for our calculation.
DOI: 10.5281/zenodo.7935443
title: Example input files for Wolf-Rayet star models in paper "Tidal Spin-up of Black Hole Progenitor Stars"

description: The files here show example input files for the models in the paper "Tidal Spin-up of Black Hole Progenitor Stars" by Ma & Fuller (2023). File "inlist_MS" and "inlist_WR" show MESA inlists to set up a Wolf-Rayet star model of 10 solar-masses (model 3 in Ma & Fuller 2023, Table 1).<br> We used MESA version r12778 for our calculation.<br> Specifically, "inlist_MS" starts a stellar model at zero-age main-sequence (ZAMS), and evolves it to the end of core hydrogen depletion.<br> After resuming the model from a photo file, "inlist_WR" turns on artificial mass-loss ("relax_mass" and "new_mass") to remove its hydrogen envelope, and then evolves the model throughout the helium burning Wolf-Rayet phase, until the end of core helium depletion.<br> During this phase, pulsation data are also created by MESA ("write_pulse_data_with_profile = .true."). <br> File "gyre.in" is an example GYRE input file to solve for oscillation modes in the established Wolf-Rayet star models.<br> We used GYRE version 6.0.1 for our calculation.
DOI: 10.6084/m9.figshare.24032862
title: CC2 Participant Information Form-stage 3

description: PiF stage 3
DOI: 10.6084/m9.figshare.24032862.v1
title: CC2 Participant Information Form-stage 3

description: PiF stage 3
DOI: 10.34740/kaggle/dsv/6363367
title: Global Genomic Neurofibromatosis Neoplasia
DOI: 10.5281/zenodo.7927188
title: SN 2020bio: A Double-peaked Type IIb Supernova with Evidence of Early-time Circumstellar Interaction

description: Inlist files for "SN 2020bio: A Double-peaked Type IIb Supernova with Evidence of Early-time Circumstellar Interaction." Models were run using MESA revision 10398. Models from ZAMS to Fe-core formation are given in 'progenitor.zip' and those from core-collapse to shock breakout are given in 'explosion.zip'.
DOI: 10.5281/zenodo.7927189
title: SN 2020bio: A Double-peaked Type IIb Supernova with Evidence of Early-time Circumstellar Interaction

description: Inlist files for "SN 2020bio: A Double-peaked Type IIb Supernova with Evidence of Early-time Circumstellar Interaction." Models were run using MESA revision 10398. Models from ZAMS to Fe-core formation are given in 'progenitor.zip' and those from core-collapse to shock breakout are given in 'explosion.zip'.
DOI: 10.6084/m9.figshare.24032928
title: CC2 Participant Information Form-stage 4.

description: PiF stage 4
DOI: 10.6084/m9.figshare.24032928.v1
title: CC2 Participant Information Form-stage 4.

description: PiF stage 4
DOI: 10.5517/cc82bwj
title: CCDC 240587: Experimental Crystal Structure Determination

description: Related Article: V.V.Dotsenko, S.G.Krivokolysko, A.N.Chernega, V.P.Litvinov|2003|Izv.Akad.Nauk SSSR,Ser.Khim.||918|
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: 10.5281/zenodo.7894029
title: Dark Matter-Induced Stellar Oscillations

description: Reproduction package for the paper "Dark Matter-Induced Stellar Oscillations".
DOI: 10.5517/cc96lz1
title: CCDC 274473: Experimental Crystal Structure Determination

description: Related Article: M.Heinrich, W.Steglich, K.Polborn|2005|CSD Communication|||
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/ccrv22q
title: CCDC 710243: Experimental Crystal Structure Determination

description: Related Article: A.A.Pasynsky, I.V.Skabitsky, Yu.V.Torubaev, S.S.Shapovalov|2009|Koord.Khim.|35|410|
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/cc110b3h
title: CCDC 953625: Experimental Crystal Structure Determination

description: Related Article: Jean Lajeunesse, John D. DiMarco, Michael Galella, Ramakrishnan Chidambaram|2009|U.S.Patents|||
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.cc11yv3y
title: CCDC 981990: Experimental Crystal Structure Determination

description: Related Article: Guorui Qin, Jianhua Cheng|2019|Dalton Trans.|48|11706|doi:10.1039/C9DT01617A
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.cc20f04m
title: CCDC 1859539: Experimental Crystal Structure Determination

description: Related Article: Veysel T. Yilmaz, Ceyda Icsel, Muhittin Aygun, Merve Erkisa, Engin Ulukaya|2018|Eur.J.Med.Chem.|158|534|doi:10.1016/j.ejmech.2018.09.035
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.cc21hkfk
title: CCDC 1891788: Experimental Crystal Structure Determination

description: Related Article: Vanessa Kristina Seiler, Koen Robeyns, Nikolay Tumanov, Dominik Cinčić, Johan Wouters, Benoit Champagne, Tom Leyssens|2019|CrystEngComm|21|4925|doi:10.1039/C9CE00805E
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.cc24p3vt
title: CCDC 1986506: Experimental Crystal Structure Determination

description: Related Article: Dmitri V. Konarev, Maxim A. Faraonov, Mikhail S. Batov, Mikhail G. Andronov, Alexey V. Kuzmin, Salavat S. Khasanov, Akihiro Otsuka, Hideki Yamochi, Hiroshi Kitagawa, Rimma N. Lyubovskaya|2020|Dalton Trans.|49|16821|doi:10.1039/D0DT02635B
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.cc26xt98
title: CCDC 2053480: Experimental Crystal Structure Determination

description: Related Article: Chen Sun, Victoria F. Oswald, Ethan A. Hill, Joseph W. Ziller, A. S. Borovik|2021|Dalton Trans.|50|11197|doi:10.1039/D1DT01032H
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.cc27gh6f
title: CCDC 2069504: Experimental Crystal Structure Determination

description: Related Article: Gongfang Hu, Jennifer L. Troiano, Uriel T. Tayvah, Liam S. Sharninghausen, Shashi Bhushan Sinha, Dimitar Y. Shopov, Brandon Q. Mercado, Robert H. Crabtree, Gary W. Brudvig|2021|Inorg.Chem.|60|14349|doi:10.1021/acs.inorgchem.1c02025
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: 10.5281/zenodo.7884172
title: Gravity modes on rapidly rotating accreting white dwarfs and their variation after dwarf novae

description: MESA (r10398) inlist files and Gyre (5.2) files used in preparation of the paper "Gravity modes on rapidly rotating accreting white dwarfs and their variation after dwarf novae". More details for specific files are given in README.txt.
DOI: 10.5281/zenodo.7884171
title: Gravity modes on rapidly rotating accreting white dwarfs and their variation after dwarf novae

description: MESA (r10398) inlist files and Gyre (5.2) files used in preparation of the paper "Gravity modes on rapidly rotating accreting white dwarfs and their variation after dwarf novae". More details for specific files are given in README.txt.
DOI: 10.5281/zenodo.7864693
title: Inlist Files for Effects of Full Sphere Convection On M-Dwarf Dynamo Action, Flux Emergence, and Spin-Down

description: Inlist files for a model of a ZAMS 0.3 M_sun star used as background for global convection simulations in <em>Effects of Full Sphere Convection On M-Dwarf Dynamo Action, Flux Emergence, and Spin-Down</em>. Run using MESA version r12115.
DOI: 10.5281/zenodo.7864694
title: Inlist Files for Effects of Full Sphere Convection On M-Dwarf Dynamo Action, Flux Emergence, and Spin-Down

description: Inlist files for a model of a ZAMS 0.3 M_sun star used as background for global convection simulations in <em>Effects of Full Sphere Convection On M-Dwarf Dynamo Action, Flux Emergence, and Spin-Down</em>. Run using MESA version r12115.
DOI: 10.5281/zenodo.7826085
title: Inlist and Data Files for "Mixed Mode Asteroseismology of Red Giant Stars Through the Luminosity Bump"

description: MESA (r12778) and GYRE (version 6.0) inlist files used in the work described in "Mixed Mode Asteroseismology of Red Giant Stars Through the Luminosity Bump". Published in The Astrophysical Journal, Volume 931, Issue 2, id.116 Two subdirectories are provided in the archive: 1) The directory called "inlists_and_src" contains different MESA inlist files for different evolutionary period (inlist_pms=pre main sequence to beginning of the red giant phase and inlist_rgb=red giant branch through the RGB luminosity bump) of the stellar model. The four subdirectories refer to the four overshooting prescriptions described in the paper. The different inlist files for the different evolutionary states are called by putting their names in the "inlist" file. Two example gyre (version 6.0) inlists are also included in the "inlists" subdirectory. The inlist titled gyre_pi.in calculates the radial, dipole, and quadrupole pi mode frequencies, while the inlist titled gyre.in calculates the non-pi mode frequencies. A custom diffusion cutoff (see Viani et al. 2018, ApJ, 858, 28) are included in the run_star_extras.f file in the "src" subdirectories. There is also a custom subroutine called "other_adjust_mlt_gradT_fraction_overshoot" which is used to change the temperature gradient within the overshooting region for models incorporating full/penetrative overshoot. The subroutine is activated by setting "x_logical_ctrl(1)" to .true. in the MESA inlists. The amplitude of the full overshooting region is controlled with "x_ctrl(1)" 2) The subdirectory named "example_data" include the MESA modelling results used in the paper to produce figure 16, showing the evolution of the gravity mode phase offset through the red giant branch luminosity bump. The GYRE-calculated frequencies are included in the GYRE_OUTPUTS subdirectories. In these models, overshooting from the red giant convective envelope was turned off.
description: Feel free to email the corresponding author at christopher.lindsay@yale.edu. CJL acknowledges support from a Gruber Science Fellowship. JO acknowledges support from NASA through the NASA Hubble Fellowship grant HST-HF2-51517.001 awarded by the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Incorporated, under NASA contract NAS5-26555. SB acknowledges NSF grant AST-2205026.
DOI: 10.5281/zenodo.7826086
title: Inlist and Data Files for "Mixed Mode Asteroseismology of Red Giant Stars Through the Luminosity Bump"

description: MESA (r12778) and GYRE (version 6.0) inlist files used in the work described in "Mixed Mode Asteroseismology of Red Giant Stars Through the Luminosity Bump". Published in The Astrophysical Journal, Volume 931, Issue 2, id.116 Two subdirectories are provided in the archive: 1) The directory called "inlists_and_src" contains different MESA inlist files for different evolutionary period (inlist_pms=pre main sequence to beginning of the red giant phase and inlist_rgb=red giant branch through the RGB luminosity bump) of the stellar model. The four subdirectories refer to the four overshooting prescriptions described in the paper. The different inlist files for the different evolutionary states are called by putting their names in the "inlist" file. Two example gyre (version 6.0) inlists are also included in the "inlists" subdirectory. The inlist titled gyre_pi.in calculates the radial, dipole, and quadrupole pi mode frequencies, while the inlist titled gyre.in calculates the non-pi mode frequencies. A custom diffusion cutoff (see Viani et al. 2018, ApJ, 858, 28) are included in the run_star_extras.f file in the "src" subdirectories. There is also a custom subroutine called "other_adjust_mlt_gradT_fraction_overshoot" which is used to change the temperature gradient within the overshooting region for models incorporating full/penetrative overshoot. The subroutine is activated by setting "x_logical_ctrl(1)" to .true. in the MESA inlists. The amplitude of the full overshooting region is controlled with "x_ctrl(1)" 2) The subdirectory named "example_data" include the MESA modelling results used in the paper to produce figure 16, showing the evolution of the gravity mode phase offset through the red giant branch luminosity bump. The GYRE-calculated frequencies are included in the GYRE_OUTPUTS subdirectories. In these models, overshooting from the red giant convective envelope was turned off.
description: Feel free to email the corresponding author at christopher.lindsay@yale.edu. CJL acknowledges support from a Gruber Science Fellowship. JO acknowledges support from NASA through the NASA Hubble Fellowship grant HST-HF2-51517.001 awarded by the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Incorporated, under NASA contract NAS5-26555. SB acknowledges NSF grant AST-2205026.
DOI: 10.6084/m9.figshare.24033093
title: CC2 consent form

description: Consent gaining exemplar
DOI: 10.6084/m9.figshare.24033093.v1
title: CC2 consent form

description: Consent gaining exemplar
DOI: 10.5281/zenodo.7816727
title: Internal mixing of rotating stars inferred from dipole gravity modes

description: MESA and GYRE inlists, opacity tables, and supplementary material for the paper "Internal mixing of rotating stars inferred from dipole gravity modes" by Pedersen et al. (2021), Nature Astronomy, Volume 5, p. 715-722, DOI:10.1038/s41550-021-01351-x
DOI: 10.5281/zenodo.7816728
title: Internal mixing of rotating stars inferred from dipole gravity modes

description: MESA and GYRE inlists, opacity tables, and supplementary material for the paper "Internal mixing of rotating stars inferred from dipole gravity modes" by Pedersen et al. (2021), Nature Astronomy, Volume 5, p. 715-722, DOI:10.1038/s41550-021-01351-x
DOI: 10.6084/m9.figshare.24033102
title: CC2 - Gov Com Mid Report

description: Governance Com report 1
DOI: 10.6084/m9.figshare.24033102.v1
title: CC2 - Gov Com Mid Report

description: Governance Com report 1