cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc27wwcd
title: CCDC 2082374: Experimental Crystal Structure Determination

description: Related Article: Ali A. A. Al-Riyahee, Peter N. Horton, Simon J. Coles, Colin Berry, Paul D. Horrocks, Simon J. A. Pope, Angelo J. Amoroso|2022|Dalton Trans.|51|3531|doi:10.1039/D1DT04091J
DOI: 10.5517/ccdc.csd.cc27wwdf
title: CCDC 2082375: Experimental Crystal Structure Determination

description: Related Article: Ali A. A. Al-Riyahee, Peter N. Horton, Simon J. Coles, Colin Berry, Paul D. Horrocks, Simon J. A. Pope, Angelo J. Amoroso|2022|Dalton Trans.|51|3531|doi:10.1039/D1DT04091J
DOI: 10.5517/ccdc.csd.cc28lf1c
title: CCDC 2103072: Experimental Crystal Structure Determination

description: Related Article: Corey J. White, Michael O. Lengel, Abigail J. Bracken, Jeff W. Kampf, Amy L. Speelman, E. Ercan Alp, Michael Y. Hu, Jiyong Zhao, Nicolai Lehnert|2022|J.Am.Chem.Soc.|144|3804|doi:10.1021/jacs.1c10388
DOI: 10.15151/esrf-es-657375986
title: Imaging shock waves in rocks at MHz rate to unravel the effect of water during earthquake propagation

description: The main goal of this proposal is to characterize the propagation of shock waves into porous rocks either in the presence water or under dry conditions to better understand damage produced during earthquake rupture. We propose to study how the propagation of an elastic shock wave a rock may be influenced by the presence of free water that may change phase during deformation (i.e. cavitation). To reach this goal we will use a gas gun developed on beamline ID19, which can send shock waves, and MHz X-ray imaging.
DOI: 10.15151/esrf-es-670448869
title: Operando XRD analysis of novel zeolite-based methanol-to-olefins catalysts

description: Methanol-to-olefins (MTO) process is an effective method to produce light olefins such as propylene. Recently we have discovered unusual propylene selectivity over Ca-containing zeolite catalysts. We assume that the interaction between Ca2+-cites and hydrocarbons occurs in a non-trivial way greatly affecting the MTO mechanism. However, the exact mechanisms behind destabilization of coke precursors and improvement of propylene selectivity remain poorly understood. Here we propose to perform operando XRD measurements at ID31 beamline. With the aid of operando XRD study, we expect to elucidate the difference in the zeolite unit cell parameters during the methanol-to-olefins reaction over Ca/ZSM-5 catalysts, and correlate the change with gradual increase of hydrocarbons retained. The experiment will allow us to link the hydrocarbons evolution to the structural properties of the catalyst simultaneously providing comprehensive understanding to reveal the catalyst deactivation mechanism.
DOI: 10.5517/ccdc.csd.cc27kdmv
title: CCDC 2072307: Experimental Crystal Structure Determination

description: Related Article: Hongxiao Lv, Liming Fan, Hongtai Chen, Xiutang Zhang, Yanpeng Gao|2022|Dalton Trans.|51|3546|doi:10.1039/D1DT04231A
DOI: 10.5517/ccdc.csd.cc2993tk
title: CCDC 2123928: Experimental Crystal Structure Determination

description: Related Article: Qiang Guo, Ru-Fen Zhang, Xue-Wen Hua, Qian-Li Li, Xiu-Mei Du, Jing Ru, Chun-Lin Ma|2022|New J.Chem.|46|4314|doi:10.1039/D1NJ05742A
DOI: 10.5517/ccdc.csd.cc2993vl
title: CCDC 2123929: Experimental Crystal Structure Determination

description: Related Article: Qiang Guo, Ru-Fen Zhang, Xue-Wen Hua, Qian-Li Li, Xiu-Mei Du, Jing Ru, Chun-Lin Ma|2022|New J.Chem.|46|4314|doi:10.1039/D1NJ05742A
DOI: 10.5517/ccdc.csd.cc1zrzpd
title: CCDC 1840305: Experimental Crystal Structure Determination

description: Related Article: Tao Zhou, Jianlei Qian, Xin Lu, Heng Xu, Lei Chen, Chuanlei Zhang|2022|New J.Chem.|46|4307|doi:10.1039/D1NJ06042B
DOI: 10.5517/ccdc.csd.cc2993wm
title: CCDC 2123930: Experimental Crystal Structure Determination

description: Related Article: Qiang Guo, Ru-Fen Zhang, Xue-Wen Hua, Qian-Li Li, Xiu-Mei Du, Jing Ru, Chun-Lin Ma|2022|New J.Chem.|46|4314|doi:10.1039/D1NJ05742A
DOI: 10.5517/ccdc.csd.cc2993xn
title: CCDC 2123931: Experimental Crystal Structure Determination

description: Related Article: Qiang Guo, Ru-Fen Zhang, Xue-Wen Hua, Qian-Li Li, Xiu-Mei Du, Jing Ru, Chun-Lin Ma|2022|New J.Chem.|46|4314|doi:10.1039/D1NJ05742A
DOI: 10.5517/ccdc.csd.cc2b8v8r
title: CCDC 2153454: Experimental Crystal Structure Determination

description: Related Article: J.E. Hines III, C.J. Deere, F.R. Fronczek, R.M. Uppu|2022|IUCrData|7|x220201|doi:10.1107/S2414314622002012
DOI: 10.5517/ccdc.csd.cc29lt4w
title: CCDC 2133238: Experimental Crystal Structure Determination

description: Related Article: W. Clegg, Z. Yuan|2022|CSD Communication|||
DOI: 10.5281/zenodo.6346863
title: Periodic Hydraulic Testing Dataset for "Borehole-based fracture unclogging experiment: bridging the gap between laboratory- and field-scale evidence (FRANC)"

description: This dataset is associated with the SNSF-SPARK project “Borehole-based fracture unclogging experiment: bridging the gap between laboratory- and field-scale evidence (FRANC)”. Please read the ReadMe file for more information.
DOI: 10.6084/m9.figshare.13013531
title: Mlu_HiC_masked.fasta.gz

description: The chromosome-level genome assembly of Miscanthus lutarioriparius with repeats masked by RepeatMasker software. The repeats were masked with Ns. The low-complicated repeats wasn't be masked.
DOI: 10.6084/m9.figshare.13013531.v1
title: Mlu_HiC_masked.fasta.gz

description: The chromosome-level genome assembly of Miscanthus lutarioriparius with repeats masked by RepeatMasker software. The repeats were masked with Ns. The low-complicated repeats wasn't be masked.
DOI: 10.34740/kaggle/dsv/3291863
title: Health Workforce Shortage Areas
DOI: 10.6084/m9.figshare.16745974
title: Dataset on SSR motifs in Acacia pachyceras

description: Microsatellite motifs mined from the genomic sequences of Acacia pachyceras Schwartz.
DOI: 10.6084/m9.figshare.16745983
title: SSR primers designed against the microsatellite motifs in Acacia pachyceras

description: Primers were designed against the microsatellite regions identified in the genome of Acacia pachyceras
DOI: 10.5517/ccdc.csd.cc2b93rj
title: CCDC 2153717: Experimental Crystal Structure Determination

description: Related Article: Michael Bolte|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2b98jg
title: CCDC 2153865: Experimental Crystal Structure Determination

description: Related Article: Anthony Linden, Sergio Cuesta-Galisteo|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2b99dc
title: CCDC 2153892: Experimental Crystal Structure Determination

description: Related Article: Michael Bolte|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2b9kfn
title: CCDC 2154141: Experimental Crystal Structure Determination

description: Related Article: Michael Bolte|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.ccypg02
title: CCDC 884554: Experimental Crystal Structure Determination

description: Related Article: ANANDALOK AUDHYA|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.ccypg13
title: CCDC 884555: Experimental Crystal Structure Determination

description: Related Article: ANANDALOK AUDHYA|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.ccypg24
title: CCDC 884556: Experimental Crystal Structure Determination

description: Related Article: ANANDALOK AUDHYA|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.ccypg35
title: CCDC 884557: Experimental Crystal Structure Determination

description: Related Article: ANANDALOK AUDHYA|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.ccypg46
title: CCDC 884558: Experimental Crystal Structure Determination

description: Related Article: ANANDALOK AUDHYA|2022|CSD Communication|||
DOI: 10.5517/ccdc.csd.cc2b9nlx
title: CCDC 2154239: Experimental Crystal Structure Determination

description: Related Article: Hanan Almolhim, Sha Ding, Joshua H. Butler, Emily K. Bremers, Grant J. Butschek, Carla Slebodnick, Emilio F. Merino, Zaira Rizopoulos, Max Totrov, Maria B. Cassera, Paul R. Carlier|2022|ACS.Med.Chem.Lett.|13|371|doi:10.1021/acsmedchemlett.1c00697
DOI: 10.5517/ccdc.csd.cc2b9nmy
title: CCDC 2154240: Experimental Crystal Structure Determination

description: Related Article: Hanan Almolhim, Sha Ding, Joshua H. Butler, Emily K. Bremers, Grant J. Butschek, Carla Slebodnick, Emilio F. Merino, Zaira Rizopoulos, Max Totrov, Maria B. Cassera, Paul R. Carlier|2022|ACS.Med.Chem.Lett.|13|371|doi:10.1021/acsmedchemlett.1c00697
DOI: 10.5281/zenodo.6349893
title: Molecular dynamics trajectories of protein folding

description: Molecular dynamics trajectories of protein folding are deposited for educational purposes. Currently, the following trajectories are available: Chignolin (five independent NVT simulations up to 1.5 micro-sec): `movie.pse` is a PyMOL session file of MD trajectories. `movie.mp4` is a movie file that shows you how a protein folds during simulation. xtc files (Gromacs compressed format) and corresponding tpr files. gro files for movie making Computational setting Amber ff99SB-ILDN for protein (Lindorff-Larsen, K. <em>et al.</em> Improved side-chain torsion potentials for the Amber ff99SB protein force field. <em>Proteins</em> <strong>78</strong>, 1950–1958 (2010)) TIP3P water model 0.1 M salt concentration NVT ensemble at 300 K with V-rescale thermostat (Bussi, G., Donadio, D. & Parrinello, M. Canonical sampling through velocity rescaling. <em>J. Chem. Phys.</em> <strong>126</strong>, 014101 (2007)) Time step : 2 fs gromacs-2020.6
description: {"references": ["Lindorff-Larsen, K., Piana, S., Dror, R. O. & Shaw, D. E. How fast-folding proteins fold. Science 334, 517\u2013520 (2011)"]}
DOI: 10.5517/ccdc.csd.cc2b9nnz
title: CCDC 2154241: Experimental Crystal Structure Determination

description: Related Article: Hanan Almolhim, Sha Ding, Joshua H. Butler, Emily K. Bremers, Grant J. Butschek, Carla Slebodnick, Emilio F. Merino, Zaira Rizopoulos, Max Totrov, Maria B. Cassera, Paul R. Carlier|2022|ACS.Med.Chem.Lett.|13|371|doi:10.1021/acsmedchemlett.1c00697
DOI: 10.5517/ccdc.csd.cc2b9np0
title: CCDC 2154242: Experimental Crystal Structure Determination

description: Related Article: Hanan Almolhim, Sha Ding, Joshua H. Butler, Emily K. Bremers, Grant J. Butschek, Carla Slebodnick, Emilio F. Merino, Zaira Rizopoulos, Max Totrov, Maria B. Cassera, Paul R. Carlier|2022|ACS.Med.Chem.Lett.|13|371|doi:10.1021/acsmedchemlett.1c00697
DOI: 10.5517/ccdc.csd.cc2b9nq1
title: CCDC 2154243: Experimental Crystal Structure Determination

description: Related Article: Hanan Almolhim, Sha Ding, Joshua H. Butler, Emily K. Bremers, Grant J. Butschek, Carla Slebodnick, Emilio F. Merino, Zaira Rizopoulos, Max Totrov, Maria B. Cassera, Paul R. Carlier|2022|ACS.Med.Chem.Lett.|13|371|doi:10.1021/acsmedchemlett.1c00697
DOI: 10.5281/zenodo.6326528
title: Molecular dynamics trajectories of protein folding

description: Molecular dynamics trajectories of protein folding are deposited for educational purposes. Currently, the following trajectories are available: Chignolin (five independent NVT simulations up to 1.5 micro-sec): `movie.pse` is a PyMOL session file of MD trajectories. `movie.mp4` is a movie file that shows you how a protein folds during simulation. xtc files (Gromacs compressed format) and corresponding tpr files. gro files for movie making Computational setting Amber ff99SB-ILDN for protein (Lindorff-Larsen, K. <em>et al.</em> Improved side-chain torsion potentials for the Amber ff99SB protein force field. <em>Proteins</em> <strong>78</strong>, 1950–1958 (2010)) TIP3P water model 0.1 M salt concentration NVT ensemble at 300 K with V-rescale thermostat (Bussi, G., Donadio, D. & Parrinello, M. Canonical sampling through velocity rescaling. <em>J. Chem. Phys.</em> <strong>126</strong>, 014101 (2007)) Time step : 2 fs gromacs-2020.6
description: {"references": ["Lindorff-Larsen, K., Piana, S., Dror, R. O. & Shaw, D. E. How fast-folding proteins fold. Science 334, 517\u2013520 (2011)"]}
DOI: 10.15151/esrf-es-649492563
title: Italian CryoEM Bag (ICB)

description: This BAG application builds on the development of single particle cryoEM in the Italian Structural Biology community, as in Italy there is no top-end instrument is yet available. The groups in this application have acquired know-how in cryoEM through international collaborations or by acquiring medium-level in-house equipment. Access to the CM01 beamline at the ESRF from August 2020 has allowed the development of projects from groups that do not have in-house equipment that will most likely result in high top level publications in 2021. The three screening microscopes presently installed in Italy boosted sample production in 2020 in spite of the Covid-19 pandemic and the number of samples foreseen for 2021 has greatly increased. The BAG from Italian institutions is nurturing the expansion of the field in Italy and will result in a high-level scientific production.
DOI: 10.5281/zenodo.3697939
title: Data - An Empirical Study of Method Chaining in Java

description: <strong>THERE ARE PROBLEMS WITH THIS DATASET. SEE HERE FOR MORE INFORMATION.</strong> The collected method chains and the results of our manual inspections presented in "An Empirical Study of Method Chaining in Java.", which will be published in MSR 2020. The archive file contains the following materials: <code>data.txt</code>: List of all the collected chains <code>metadata.txt</code>: List of files and the number of lines for each file <code>rq1_{short,long,extlong}_201{0,8}.md</code>: Sampled chains for RQ1 <code>rq1_201{0,8}.csv</code>: Result of our manual inspections in RQ1 <code>rq2.md</code>: Sampled chains for RQ2 <code>rq2.csv</code>: Result of our manual inspections in RQ2
DOI: 10.5281/zenodo.3697938
title: Data - An Empirical Study of Method Chaining in Java

description: <strong>THERE ARE PROBLEMS WITH THIS DATASET. SEE HERE FOR MORE INFORMATION.</strong> The collected method chains and the results of our manual inspections presented in "An Empirical Study of Method Chaining in Java.", which will be published in MSR 2020. The archive file contains the following materials: <code>data.txt</code>: List of all the collected chains <code>metadata.txt</code>: List of files and the number of lines for each file <code>rq1_{short,long,extlong}_201{0,8}.md</code>: Sampled chains for RQ1 <code>rq1_201{0,8}.csv</code>: Result of our manual inspections in RQ1 <code>rq2.md</code>: Sampled chains for RQ2 <code>rq2.csv</code>: Result of our manual inspections in RQ2
DOI: 10.25919/21m0-1k49
title: Parkes observations for project P1054 semester 2021OCTS_14

description: With this proposal we ask time to continue our timing follow-up campaign of pulsars discovered with the MeerKAT telescope. Nine sources have been discovered in targeted observations of Fermi unidentified point sources, three in the Small Magellanic Cloud, 34 in Globular Clusters and six in a survey of the Galactic plane. Excluding GC sources (too dim to be followed up in the framework of this proposal), at least 12 new discoveries are recycled pulsars, one possibly with a neutron star companion, and two more have spin periods around 70 ms, making them potential mildly recycled or young pulsars. Timing observations have an essential role in exploiting the full potential of any pulsar discovery, allowing the precise measurement of rotational, astrometric and orbital parameters which, in turn, give us powerful tools to improve our understanding of the physics in extreme environments as well as of the population of neutron stars as a whole. The UWL receiver of the Parkes telescope is a sensitive, versatile instrument that is allowing us to successfully time these new sources, in the bright-end of TRAPUM discoveries. The UWL has also the unique advantage of allowing detailed studies of the eclipses of the so-called 'spider' pulsars, which make up about 1/3rd of the sources we aim at following-up with this project.
DOI: 10.5281/zenodo.6349953
title: Characterization of the angular-dependent emission of nitrogen-vacancy centers in nanodiamond

description: We report on the characterization of the angular-dependent emission of single-photon emitters based on single nitrogen-vacancy (NV-) centers in nanodiamond at room temperature. A theoretical model for the calculation of the angular emission patterns of such an NV-center at a dielectric interface will be presented. For the first time, the orientation of the NV-centers in nanodiamond was determined from back focal plane images of NV-centers and by comparison of the theoretical and experimental angular emission pattern. Furthermore, the orientation of the NV-centers was also obtained from measurements of the fluorescence intensity in dependence on the polarization angle of the linearly polarized excitation laser. The results of these measurements are in good agreement. Moreover, the collection efficiency in this setup was calculated to be higher than 80% using the model of the angular emission of the NV-centers.
description: This work was supported by the Joint Research Project SIQUST (17FUN06). This project received funding from the European Metrology Programme for Innovation and Research (EMPIR) cofinanced by the Participating States and from the European Unions Horizon 2020 research and innovation programme.
description: {"references": ["https://doi.org/10.1007/s00340-020-07508-2"]}
DOI: 10.5281/zenodo.6349952
title: Characterization of the angular-dependent emission of nitrogen-vacancy centers in nanodiamond

description: We report on the characterization of the angular-dependent emission of single-photon emitters based on single nitrogen-vacancy (NV-) centers in nanodiamond at room temperature. A theoretical model for the calculation of the angular emission patterns of such an NV-center at a dielectric interface will be presented. For the first time, the orientation of the NV-centers in nanodiamond was determined from back focal plane images of NV-centers and by comparison of the theoretical and experimental angular emission pattern. Furthermore, the orientation of the NV-centers was also obtained from measurements of the fluorescence intensity in dependence on the polarization angle of the linearly polarized excitation laser. The results of these measurements are in good agreement. Moreover, the collection efficiency in this setup was calculated to be higher than 80% using the model of the angular emission of the NV-centers.
description: This work was supported by the Joint Research Project SIQUST (17FUN06). This project received funding from the European Metrology Programme for Innovation and Research (EMPIR) cofinanced by the Participating States and from the European Unions Horizon 2020 research and innovation programme.
description: {"references": ["https://doi.org/10.1007/s00340-020-07508-2"]}
DOI: 10.5281/zenodo.6349937
title: Chemical compositions data for "Space weathering of the Chang'e-5 lunar sample from a mid-high latitude region on the Moon"

description: Data for “Space weathering of the Chang’e-5 lunar sample from a mid-high latitude region on the Moon”
DOI: 10.5281/zenodo.5874943
title: Chemical compositions data for "Space weathering of the Chang'e-5 lunar sample from a mid-high latitude region on the Moon"

description: Data for “Space weathering of the Chang’e-5 lunar sample from a mid-high latitude region on the Moon”
DOI: 10.5281/zenodo.6028287
title: When time is not of the essence: constraints to the carbon balance of bryophytes. Supporting Information.

description: Excel file. Compiled data for net CO<sub>2</sub> assimilation and relative growth rates of bryophytes and tracheophytes, as well as optimum temperatures for photosynthesis of bryophytes. <br> Word file. Full reference list of the studies included in the Excel file.
DOI: 10.5281/zenodo.6028286
title: When time is not of the essence: constraints to the carbon balance of bryophytes. Supporting Information.

description: Excel file. Compiled data for net CO<sub>2</sub> assimilation and relative growth rates of bryophytes and tracheophytes, as well as optimum temperatures for photosynthesis of bryophytes. <br> Word file. Full reference list of the studies included in the Excel file.
DOI: 10.5281/zenodo.6349980
title: Coherence and indistinguishability of highly pure single photons from non-resonantly and resonantly excited telecom C-band quantum dots

description: ABSTRACT The role of resonant pumping schemes in improving the photon coherence is investigated on InAs/InGaAs/GaAs quantum dots (QDs) emitting in the telecom C-band. The linewidths of transitions of multiple exemplary quantum dots are determined under above-band pumping and resonance fluorescence (RF) via Fourier-transform spectroscopy and resonance scans, respectively. The average linewidth is reduced from (9.74 ± 3.3) GHz in the above-band excitation to (3.50 ± 0.39) GHz under RF underlining its superior coherence properties. Furthermore, the feasibility of coherent state preparation with a fidelity of (49.2 ± 5.8) % is demonstrated, constituting a first step toward on-demand generation of coherent, single, telecom C-band photons directly emitted by QDs. Finally, two-photon excitation of the biexciton is investigated as a resonant pumping scheme. A deconvoluted single-photon purity value of 𝑔(2)HBT(0)=0.072 ± 0.104 and a postselected degree of indistinguishability of 𝑉HOM=0.894 ± 0.109 are determined for the biexciton transition. This represents another step in demonstrating the necessary quantum optical properties for prospective applications.
description: The authors gratefully acknowledge the funding by the German Federal Ministry of Education and Research (BMBF), in particular, the projects Q.com-H (No. 16KIS0115) and Q.Link.X (No. 16KIS0862). This work was supported by the Joint Research Project SIQUST (17FUN06). This project received funding from the European Metrology Programme for Innovation and Research (EMPIR) cofinanced by the Participating States and from the European Unions Horizon 2020 research and innovation programme. S.L.P. acknowledges the IQST center for the project QUDOSI.
description: {"references": ["https://doi.org/10.1063/1.5095196"]}
DOI: 10.5281/zenodo.6349979
title: Coherence and indistinguishability of highly pure single photons from non-resonantly and resonantly excited telecom C-band quantum dots

description: ABSTRACT The role of resonant pumping schemes in improving the photon coherence is investigated on InAs/InGaAs/GaAs quantum dots (QDs) emitting in the telecom C-band. The linewidths of transitions of multiple exemplary quantum dots are determined under above-band pumping and resonance fluorescence (RF) via Fourier-transform spectroscopy and resonance scans, respectively. The average linewidth is reduced from (9.74 ± 3.3) GHz in the above-band excitation to (3.50 ± 0.39) GHz under RF underlining its superior coherence properties. Furthermore, the feasibility of coherent state preparation with a fidelity of (49.2 ± 5.8) % is demonstrated, constituting a first step toward on-demand generation of coherent, single, telecom C-band photons directly emitted by QDs. Finally, two-photon excitation of the biexciton is investigated as a resonant pumping scheme. A deconvoluted single-photon purity value of 𝑔(2)HBT(0)=0.072 ± 0.104 and a postselected degree of indistinguishability of 𝑉HOM=0.894 ± 0.109 are determined for the biexciton transition. This represents another step in demonstrating the necessary quantum optical properties for prospective applications.
description: The authors gratefully acknowledge the funding by the German Federal Ministry of Education and Research (BMBF), in particular, the projects Q.com-H (No. 16KIS0115) and Q.Link.X (No. 16KIS0862). This work was supported by the Joint Research Project SIQUST (17FUN06). This project received funding from the European Metrology Programme for Innovation and Research (EMPIR) cofinanced by the Participating States and from the European Unions Horizon 2020 research and innovation programme. S.L.P. acknowledges the IQST center for the project QUDOSI.
description: {"references": ["https://doi.org/10.1063/1.5095196"]}