cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc26t4ry
title: CCDC 2049960: Experimental Crystal Structure Determination

description: Related Article: Yueying Yang, Ke Xiang, Dejuan Sun, Mengzhu Zheng, Zhuorui Song, Mingxue Li, Xuanbin Wang, Hua Li, Lixia Chen|2021|Bioorg.Med.Chem.|36|116095|doi:10.1016/j.bmc.2021.116095
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.cc26yzrx
title: CCDC 2054610: Experimental Crystal Structure Determination

description: Related Article: Masanori Sato, Takekazu Kondo, Yasushi Kohno, Shigeki Seto|2021|Bioorg.Med.Chem.|34|116015|doi:10.1016/j.bmc.2021.116015
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.cc26yzsy
title: CCDC 2054611: Experimental Crystal Structure Determination

description: Related Article: Masanori Sato, Takekazu Kondo, Yasushi Kohno, Shigeki Seto|2021|Bioorg.Med.Chem.|34|116015|doi:10.1016/j.bmc.2021.116015
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.cc26yztz
title: CCDC 2054612: Experimental Crystal Structure Determination

description: Related Article: Masanori Sato, Takekazu Kondo, Yasushi Kohno, Shigeki Seto|2021|Bioorg.Med.Chem.|34|116015|doi:10.1016/j.bmc.2021.116015
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.cc276cpj
title: CCDC 2061707: Experimental Crystal Structure Determination

description: Related Article: Lidia A. Baltina, Hsueh-Chou Lai, Ya-Chi Liu, Su-Hua Huang, Mann-Jen Hour, Lia A. Baltina, Tagir R. Nugumanov, Sophia S. Borisevich, Leonard M. Khalilov, Svetlana F. Petrova, Sergey L. Khursan, Cheng-Wen Lin|2021|Bioorg.Med.Chem.|41|116204|doi:10.1016/j.bmc.2021.116204
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.cc27h11v
title: CCDC 2070026: Experimental Crystal Structure Determination

description: Related Article: Talita B. Gontijo, Renato L. de Carvalho, Luiza Dantas-Pereira, Rubem F.S. Menna-Barreto, Torben Rogge, Lutz Ackermann, Eufrânio N. da Silva Júnior|2021|Bioorg.Med.Chem.|40|116164|doi:10.1016/j.bmc.2021.116164
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.cc27h12w
title: CCDC 2070027: Experimental Crystal Structure Determination

description: Related Article: Talita B. Gontijo, Renato L. de Carvalho, Luiza Dantas-Pereira, Rubem F.S. Menna-Barreto, Torben Rogge, Lutz Ackermann, Eufrânio N. da Silva Júnior|2021|Bioorg.Med.Chem.|40|116164|doi:10.1016/j.bmc.2021.116164
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.cc27xw02
title: CCDC 2083324: Experimental Crystal Structure Determination

description: Related Article: Julen Ariztia, Alicia Chateau, Cédric Boura, Claude Didierjean, Sandrine Lamandé-Langle, Nadia Pellegrini Moïse|2021|Bioorg.Med.Chem.|45|116313|doi:10.1016/j.bmc.2021.116313
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.cc2b5rt3
title: CCDC 2150495: Experimental Crystal Structure Determination

description: Related Article: Hrishikesh Talukdar, Daisy Gogoi, Prodeep Phukan|2023|Tetrahedron|132|133251|doi:10.1016/j.tet.2023.133251
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.cc2ddyvm
title: CCDC 2216991: Experimental Crystal Structure Determination

description: Related Article: Xiu-Mei Kan, Jie Zhu, Pin-Hua Li, Zhi-Chuan Wu, Pei-Jun Yang|2023|Tetrahedron|132|133263|doi:10.1016/j.tet.2023.133263
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.cc2ddywn
title: CCDC 2216992: Experimental Crystal Structure Determination

description: Related Article: Xiu-Mei Kan, Jie Zhu, Pin-Hua Li, Zhi-Chuan Wu, Pei-Jun Yang|2023|Tetrahedron|132|133263|doi:10.1016/j.tet.2023.133263
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.cc2drrgd
title: CCDC 2227364: Experimental Crystal Structure Determination

description: Related Article: Wei Fan|2023|Tetrahedron|132|133247|doi:10.1016/j.tet.2023.133247
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.cc2drrhf
title: CCDC 2227365: Experimental Crystal Structure Determination

description: Related Article: Wei Fan|2023|Tetrahedron|132|133247|doi:10.1016/j.tet.2023.133247
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: 10.18112/openneuro.ds004346.v1.0.5
title: FLUX: A pipeline for MEG analysis
DOI: 10.48437/02.2023.b.3101.0002
title: Messtechnische Erfassung der Nordkammer der Schiffsschleusenanlage Sülfeld - Punktwolke von Laserscan-Aufnahmen

description: Dieser Datensatz enthält Punktwolken, die aus einer Aufnahme der Schleusenkammer mit einem terrestrischen Laserscanner erstellt wurden. Verwendet wurde dafür der Panoramascanner Leica-P30. Die Aufnahme der gesamten Schleusenkammer erfolgte von mehreren, zehn Meter voneinander entfernten Standorten aus mit einer ungefähren effektiven Bodenauflösung von einem Zentimeter.
DOI: 10.48437/02.2023.b.3101.0003
title: Messtechnische Erfassung der Nordkammer der Schiffsschleusenanlage Sülfeld - Punktwolke von UAS-Aufnahmen

description: Dieser Datensatz enthält Punktwolken, die aus Aufnahmen eines unbemannten Luftfahrtsystem (Unmanned Areal System, UAS), umgangssprachlich Drohnen, generiert wurden. Für die drohnengestützte Zustandserfassung wurde das „Matrice M300“ eingesetzt. Zwei Digitalkameras, die an das UAS angebracht waren, wurden zur Aufnahme von Bildern der Schiffsschleuse verwendet. Die Sony Alpha 7 RII wurde zur Erstellung von Nahaufnahmen mit einer Bodenauflösung (Ground Sample Distance) von ca. 0,5 Millimeter verwendet, während die Sony RX0II zur Erstellung von Orthophotos mittels überlappenden Einzelbildern mit einer Bodenauflösung von ca. 2 Zentimeter zum Einsatz kam. Das UAS wurde manuell ohne vorprogrammierte Flugrouten gesteuert. Die Aufnahme der Schleusenwände und -tore erfolgte in einem Abstand von etwa drei Metern. Die Flugbahn verlief im sogenannten Rasterflug von der Oberkante der Schleusenkammer bzw. des Schleusentores bis zur Sohle, so dass eine Überlappung der Einzelbilder von sechzig bis siebzig Prozent gewährleistet werden konnte.
DOI: 10.5281/zenodo.7579439
title: zanclus_cornutus_decontaminated_FSCR.fasta.gz

description: .
DOI: 10.48437/02.2023.b.3101.0001
title: Messtechnische Erfassung der Nordkammer der Schiffsschleusenanlage Sülfeld - Punktwolke von Fächerecholot-Aufnahmen

description: Dieser Datensatz enthält Punktwolken, die von einem Fächerecholot von der Schleusenkammer aufgezeichnet wurden. Es handelt sich um ein Vermessungssystem namens "Hydromapper", bestehend aus einem Boot, einem Fächerecholot und einem Tachymeter. Als Fächerecholot wurde das Multibeam Teledyne SeaBat T50-P eingesetzt, welches an einer Teleskopstange an der Unterseite des Messbootes befestigt ist. Die Position des Messbootes wird durch einen auf der Schleusenplattform installierten Tachymeter bestimmt, der mit Hilfe von an der Schleuse installierten Fixpunkten georeferenziert wird. Die Wände und die Sohle wurden in Bewegung mit einer Geschwindigkeit von etwa 0,5 m/s und die Verschlüsse im Stehen von verschiedenen Fixpunkten aus erfasst. Um die Wand über ihre gesamte Höhe zu vermessen, wurde das Echolot einmal in drei Metern und einmal in sechs Metern Tiefe positioniert.
DOI: 10.5281/zenodo.7579438
title: zanclus_cornutus_decontaminated_FSCR.fasta.gz

description: .
DOI: 10.5281/zenodo.7585762
title: [Replication package] Explainable Human-Machine Teaming using Model Checking and Interpretable Machine Learning

description: Anonymized replication package of submission #1917: "Explainable Human-Machine Teaming using Model Checking and Interpretable Machine Learning". See README.md for further instructions.
DOI: 10.5281/zenodo.7577001
title: [Replication package] Explainable Human-Machine Teaming using Model Checking and Interpretable Machine Learning

description: Anonymized replication package of submission #1917: "Explainable Human-Machine Teaming using Model Checking and Interpretable Machine Learning". See README.md for further instructions.
DOI: 10.5281/zenodo.7572990
title: MD simulation input files and results for ,,Atomistic MD simulations of n-alkanes in a phospholipid bilayer: CHARMM36 versus Slipids"

description: Input files and trajectories of n-alkane/lipid systems used in the article: ,,Atomistic MD simulations of n-alkanes in a phospholipid bilayer: CHARMM36 versus Slipids". Equilibrated starting configurations were created using CHARMM36. Otherwise, filenames specifiy the force field used (C36 or SL), Temperature and system composition. .xtc trajectories were created using gmx trjconv with options -pbc nojump -dt 10. run2 equals simulations from 100-200ns, run3 equals 200-300ns. The first 100ns were excluded from the analysis and are not included in this dataset. Exemplary .mdp files have been included for both force-fields. Please refer to the manuscript for the force field sources and additional information.
DOI: 10.5281/zenodo.7572989
title: MD simulation input files and results for ,,Atomistic MD simulations of n-alkanes in a phospholipid bilayer: CHARMM36 versus Slipids"

description: Input files and trajectories of n-alkane/lipid systems used in the article: ,,Atomistic MD simulations of n-alkanes in a phospholipid bilayer: CHARMM36 versus Slipids". Equilibrated starting configurations were created using CHARMM36. Otherwise, filenames specifiy the force field used (C36 or SL), Temperature and system composition. .xtc trajectories were created using gmx trjconv with options -pbc nojump -dt 10. run2 equals simulations from 100-200ns, run3 equals 200-300ns. The first 100ns were excluded from the analysis and are not included in this dataset. Exemplary .mdp files have been included for both force-fields. Please refer to the manuscript for the force field sources and additional information.
DOI: 10.13012/b2idb-7302959_v1
title: Data-Driven and Machine Learning Based Framework for Image-Guided Single-Cell Mass Spectrometry

description: Data sets to reproduce the results provided by the tutorial in paper "Data-Driven and Machine Learning Based Framework for Image-Guided Single-Cell Mass Spectrometry"
DOI: 10.5281/zenodo.7585755
title: Autonomic cardiac profile in male and female healthcare professionals with and without preschoolers: differences evidenced by heart rate variability analysis

description: De Maria B, Cassetti G, Clementi L, De Grazia V, Parati M, Perego F, Porta A, Dalla Vecchia LA. Autonomic cardiac profile in male and female healthcare professionals with and without preschoolers: differences evidenced by heart rate variability analysis. Sci Rep. 2022 Aug 25;12(1):14499. doi: 10.1038/s41598-022-18744-1. PMID: 36008506; PMCID: PMC9411539. Abstract A reduced nocturnal cardiac vagal modulation has been observed in working women with preschoolers. Whether this adaptation also occurs in men remains an open question. The aim of this study was to analyze the cardiac autonomic profile of two groups of healthcare male professionals, one with and one without preschoolers, to be compared to females. Twenty-five working men with preschoolers (M_KID, age 35.41 ± 4.01 years) and 25 without (M_NOKID, 34.48 ± 6.00 years) were compared with 25 working women with preschoolers (W_KID, 37.7 ± 5.6 years) and 25 without (W_NOKID, 35.4 ± 7.2 years). A 24-h Holter electrocardiogram was performed for time and frequency domain analysis of the beat-to-beat variations of RR interval (RR) variability, during daytime (DAY) and nighttime (NIGHT). The power of RR variability in the high frequency band (HF<sub>RR</sub>) was considered as an index of cardiac vagal modulation. RR variability indices were similar in M_KID and M_NOKID during both DAY and NIGHT. In contrast, W_KID showed a reduced nocturnal HF<sub>RR</sub> compared to W_NOKID. The comparison of working men with and without preschoolers revealed no differences in the cardiac autonomic profile, in contrast with women. This suggests that sex and/or gender may represent a crucial factor in the cardiac neural control in the parental condition.
DOI: 10.5281/zenodo.7585753
title: Autonomic cardiac profile in male and female healthcare professionals with and without preschoolers: differences evidenced by heart rate variability analysis

description: De Maria B, Cassetti G, Clementi L, De Grazia V, Parati M, Perego F, Porta A, Dalla Vecchia LA. Autonomic cardiac profile in male and female healthcare professionals with and without preschoolers: differences evidenced by heart rate variability analysis. Sci Rep. 2022 Aug 25;12(1):14499. doi: 10.1038/s41598-022-18744-1. PMID: 36008506; PMCID: PMC9411539. Abstract A reduced nocturnal cardiac vagal modulation has been observed in working women with preschoolers. Whether this adaptation also occurs in men remains an open question. The aim of this study was to analyze the cardiac autonomic profile of two groups of healthcare male professionals, one with and one without preschoolers, to be compared to females. Twenty-five working men with preschoolers (M_KID, age 35.41 ± 4.01 years) and 25 without (M_NOKID, 34.48 ± 6.00 years) were compared with 25 working women with preschoolers (W_KID, 37.7 ± 5.6 years) and 25 without (W_NOKID, 35.4 ± 7.2 years). A 24-h Holter electrocardiogram was performed for time and frequency domain analysis of the beat-to-beat variations of RR interval (RR) variability, during daytime (DAY) and nighttime (NIGHT). The power of RR variability in the high frequency band (HF<sub>RR</sub>) was considered as an index of cardiac vagal modulation. RR variability indices were similar in M_KID and M_NOKID during both DAY and NIGHT. In contrast, W_KID showed a reduced nocturnal HF<sub>RR</sub> compared to W_NOKID. The comparison of working men with and without preschoolers revealed no differences in the cardiac autonomic profile, in contrast with women. This suggests that sex and/or gender may represent a crucial factor in the cardiac neural control in the parental condition.
DOI: 10.13012/b2idb-0980888_v1
title: Data for Can a mesocarnivore fill the functional role of an apex predator?

description: Detection data of carnivores and their prey species from camera traps in Fort Hood, Texas and Santa Cruz, California, USA. Non-carnivore and non-prey species (humans, domestic species, avian species, etc.) were excluded from this dataset. All detections of each species at a camera within 30 minutes have been combined to 1 detection (only first detection within that 30 minutes kept) to avoid pseudoreplication. Variable Description: Site= Study area data were collected MonitoringPeriod= year in which data was collected (data were collected at each location over multiple monitoring periods) CameraName= Unique name for each camera location Date= calendar date of detection Time= time of detection -Fort Hood= Central Time USA -Santa Cruz= Pacific Time USA Species= Common name of species detected
DOI: 10.4226/47/571f07121b012
title: Chemical cue preference results for all anemone fishes tested

description: This study highlights the potential deleterious indirect impacts of declining habitat quality during larval settlement in habitat specialists, which could be important in the field, given that bleaching events are becoming increasingly common.
description: We used five anemonefishes (Amphiprion clarkii, Amphiprion latezonatus, Amphiprion ocellaris, Amphiprion percula, and Premnas biaculeatus) and three host sea anemones (Entacmaea quadricolor, Heteractis crispa, and Heteractis magnifica) in paired-choice flume experiments to determine whether habitat naïve juveniles have the olfactory capabilities to distinguish between unbleached and bleached hosts, and how this may affect settlement decisions.
description: Using Atema choice flume experiments we specifically tested responses by fishes to: i) unbleached anemones versus seawater; ii) bleached anemones versus seawater; iii) unbleached versus bleached anemones of the same species; iv) unbleached anemones versus bleached of different species; and v) bleached versus bleached anemones of different species.
DOI: 10.15151/esrf-dc-1057386678
title: Enhanced contrast synchrotron X-ray microtomography for describing skeleton-associated soft tissue defects in zebrafish mutants

description: Detailed histological analyses are desirable for zebrafish mutants that are models for human skeletal diseases, but traditional histological techniques are limited to two-dimensional thin-sections with orientations highly dependent on careful sample preparation. On the other hand, techniques that provide three-dimensional (3D) datasets including µCT scanning are typically limited to visualizing the bony skeleton and lack histological resolution. We combined diffusible iodine-based contrast enhancement (DICE) and propagation phase-contrast synchrotron radiation computed microtomography (PPC-SRµCT) to image late larval and juvenile zebrafish, obtaining high-quality 3D virtual histology datasets of the mineralized skeleton and surrounding soft tissues. To demonstrate this technique, we used virtual histological thin sections and 3D segmentation to qualitatively and quantitatively compare wild-type zebrafish and nkx3.2-/- mutants to characterize novel soft-tissue phenotypes in the muscles and tendons of the jaw and ligaments of the Weberian apparatus, as well as the sinus perilymphaticus associated with the inner ear. We could observe disrupted fiber organization and tendons in the adductor mandibulae and protractor hyoideus muscles associated with the jaws, and show that despite this, the overall muscle volumes appeared unaffected. Ligaments associated with the malformed Weberian ossicles were mostly absent in nkx3.2-/- mutants, and the sinus perilymphaticus was severely constricted or absent as a result of the fused exoccipital and basioccipital elements. These soft-tissue phenotypes have implications for the physiology of nkx3.2-/- zebrafish, and demonstrate the promise of DICE-PPC-SRµCT for histopathological investigations of bone-associated soft tissues in small-fish skeletal disease models and developmental studies more broadly.
DOI: 10.6084/m9.figshare.21977143
title: Crystal entrainment from cool, low-silica rocks into hot, high-silica melts: diverse primary melt compositions at Taranaki volcano, New Zealand

description: Supplementary Data: <b>SD1:</b> Sample source, stratigraphical unit, location, age, TAS ID and type. <b>SD2:</b> Major oxide compositions, weight loss on ignition (LOI), and minor and trace element concentrations of the lavas of Taranaki from this study. <b>SD3:</b> Major oxide concentrations of samples from Taranaki from literature (Price <i>et al.</i> 1992, 1999; Stewart <i>et al.</i> 1996; R. B. Stewart pers. comm. 2018; Zernack <i>et al.</i> 2012). <b>SD4:</b> Minor and trace element concentrations of samples from Taranaki from literature (Price <i>et al.</i> 1992, 1999; Stewart <i>et al.</i> 1996; R. B. Stewart pers. comm. 2018; Zernack <i>et al.</i> 2012). <b>SD5:</b> EPMA spot analyses of mineral crystals from this study. <b>SD6:</b> Major oxide concentrations of groundmass of lavas of Taranaki, measured through defocussed EPMA beam. Average of 30 spot analyses used. <b>SD7:</b> Modal proportions of mineral phases, groundmass, and vesicles of lavas of Taranaki. <b>SD8:</b> Accuracy and precision for all analyses.