cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/2jfmn6yp76.1
title: Animações infantis e morte: um estudo documental

description: O profissional doula da morte é considerado um colaborador solidário, cujo objetivo é melhorar a qualidade de morte no processo de terminalidade de pacientes, de forma a proporcionar uma ‘boa morte’. O objetivo do estudo é mapear as evidências científicas
sobre os papéis das doulas da morte na terminalidade da vida. Dos 467 artigos encontrados, somente 11 fizeram parte da amostra final. Dentre a diversidade e flexibilidade de papéis, os profissionais doulas realizam tarefas, serviços e prestam cuidados práticos e não clínicos durante todo o processo de morrer, morte, pós-morte e luto de pacientes e seus familiares, bem como promovem educação para a morte, levando em consideração as dimensões biopsicossocial e espiritual do cuidado humano. Possíveis barreiras no movimento de doulas da morte incluem a inconsistência nos programas de treinamento existentes e a ausência de um órgão regulamentador para a supervisão da prática e a padronização de honorários. O trabalho das doulas da morte concentra-se na presença e atenção plenas, escuta sensível, compassiva e centrada na pessoa em processo de terminalidade, respeitando os seus desejos e horando sua biografia. Conclusão. As doulas de morte podem aumentar os serviços de cuidados de fim de vida existentes, fornecendo serviços de cuidados holísticos e personalizados em todos os cenários da rede de atenção à saúde, contudo, há necessidade de estudos mais rigorosos para explorar a percepção dos profissionais de saúde sobre esse papel e investigar resultados clínicos entre pessoas que estão morrendo e suas famílias.
DOI: 10.17632/mygc3pt7rg.1
title: Microanalytical investigation of K-rich fenites from the Catalão II Complex 

description: SD1 (Micro-XRF results for carbonatite-fenite samples). 
SD2 (Major and minor elements in phlogopite, tetraferriphlogopite and orthoclase using EMPA, in samples from the Boa Vista Nb mine of the Catalão II Complex.
DOI: 10.21335/nmdc-2139630788
title: Bulk stable isotopes of carbon and nitrogen in benthic epifauna, infauna and zooplankton collected from the Barents Sea during the Nansen Legacy project 2018-2021

description: This dataset provides bulk stable isotope values of carbon and nitrogen for benthic fauna and some zooplankton collected in the Barents Sea during five sampling campaigns during 2018-2021; August 2018, August 2019, December 2019, March 2021 and May 2021. Benthic epifauna were collected using a Campelen or beam trawl and infauna were collected using a box corer. During the 2018 sampling campaign, zooplankton was also collected using a Harstad trawl. Upon collection, all fauna were sorted and identified to the lowest taxonomic level possible while in cold water. Muscle tissue was sub-sampled from large taxa while small taxa were kept whole. All samples were frozen at -20°C until further analysis. In the laboratory, samples were thawed slightly to allow for sub-sampling as needed, then freeze dried for 48 hours. After freeze drying, samples were ground to a fine powder using a mortar and pestle and approximately 1mg of sample was packed into tin capsules for isotopic and elemental analysis. For taxa containing carbonate (e.g., shells, echinoderms) a sub-sample of the freeze-dried powder was also acidified with 1M hydrochloric acid using a dropwise method until visible dissolution ceased. These sub-samples were then re-dried in an oven and packed into tins for analysis like the non-acidified samples. All samples were analyzed for carbon and nitrogen content and isotope ratios at the CLIPT laboratory at the University of Oslo using the Thermo Fischer Scientific 230 EA IsoLink IRMS system comprised of a DeltaV Advantage Stable Isotope Mass Spectrometer coupled to a Flash Elemental Analyzer. The resulting isotope data are reported in delta notation: δnX (‰) = [(Rsample – Rstandard) / Rstandard ] x 1000 where R is the ratio of heavy:light isotopes of the element X in our sample relative to the reference standards Vienna PeeDee Belemnite (VPDB, carbon, Craig, 1957) and air (nitrogen, Mariotti, 1983). During analysis, internal reference standards L-glutamic acid and glycine were calibrated to the International Atomic Energy Agency standards calcium carbonate (NBS19) and lithium carbonate (LSVEC) to normalize carbon isotope values to the δ13CVPDB-scale as well as to USGS40 and USGS41 to normalize nitrogen isotope values to the δ15NAIR-scale. The carbon and nitrogen content data are reported in weight percent.
DOI: 10.5517/ccdc.csd.cc2fzpy2
title: CCDC 2263835: Experimental Crystal Structure Determination

description: Related Article: Akanksha Kumari, Anshul Jain, Khyati Shukla, Ranjan Patra, Nirmal K. Rana|2023|Org.Biomol.Chem.|21|5542|doi:10.1039/D3OB00804E
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.cc2g04n9
title: CCDC 2264260: Experimental Crystal Structure Determination

description: Related Article: C.B. Pinto, L.H.R. Dos Santos, B.L. Rodrigues|2023|Acta Crystallogr.,Sect.B:Struct.Sci.,Cryst.Eng. and Mat.|79|281|doi:10.1107/S2052520623004377
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.cc2fr1qz
title: CCDC 2256481: Experimental Crystal Structure Determination

description: Related Article: Weixin He, Yali Yang, Chuanzhao Li, Walter P. D. Wong, Fanica Cimpoesu, Ana Maria Toader, Zhenyue Wu, Xiao Wu, Zexin Lin, Qing-hua Xu, Kai Leng, Alessandro Stroppa, Kian Ping Loh|2023|J.Am.Chem.Soc.|145|14044|doi:10.1021/jacs.3c03921
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.cc2g072t
title: CCDC 2264335: Experimental Crystal Structure Determination

description: Related Article: Priyank Kumar Sharma, Dibyendu Mallick, Soumyajit Das|2023|Org.Lett.|25|5089|doi:10.1021/acs.orglett.3c01815
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.cc2g1y2k
title: CCDC 2265978: Experimental Crystal Structure Determination

description: Related Article: Wei Zhu, Ying Cheng, Shuo Tong, Mei-Xiang Wang|2023|Org.Lett.|25|5105|doi:10.1021/acs.orglett.3c01830
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.cc2g1y5n
title: CCDC 2265981: Experimental Crystal Structure Determination

description: Related Article: Wei Zhu, Ying Cheng, Shuo Tong, Mei-Xiang Wang|2023|Org.Lett.|25|5105|doi:10.1021/acs.orglett.3c01830
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.cc2g1y6p
title: CCDC 2265982: Experimental Crystal Structure Determination

description: Related Article: Wei Zhu, Ying Cheng, Shuo Tong, Mei-Xiang Wang|2023|Org.Lett.|25|5105|doi:10.1021/acs.orglett.3c01830
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.cc2g1y7q
title: CCDC 2265983: Experimental Crystal Structure Determination

description: Related Article: Wei Zhu, Ying Cheng, Shuo Tong, Mei-Xiang Wang|2023|Org.Lett.|25|5105|doi:10.1021/acs.orglett.3c01830
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.cc2g1y8r
title: CCDC 2265984: Experimental Crystal Structure Determination

description: Related Article: Wei Zhu, Ying Cheng, Shuo Tong, Mei-Xiang Wang|2023|Org.Lett.|25|5105|doi:10.1021/acs.orglett.3c01830
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.cc2g1y9s
title: CCDC 2265985: Experimental Crystal Structure Determination

description: Related Article: Wei Zhu, Ying Cheng, Shuo Tong, Mei-Xiang Wang|2023|Org.Lett.|25|5105|doi:10.1021/acs.orglett.3c01830
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.cc2g1ydw
title: CCDC 2265988: Experimental Crystal Structure Determination

description: Related Article: Wei Zhu, Ying Cheng, Shuo Tong, Mei-Xiang Wang|2023|Org.Lett.|25|5105|doi:10.1021/acs.orglett.3c01830
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.cc2g1yfx
title: CCDC 2265989: Experimental Crystal Structure Determination

description: Related Article: Wei Zhu, Ying Cheng, Shuo Tong, Mei-Xiang Wang|2023|Org.Lett.|25|5105|doi:10.1021/acs.orglett.3c01830
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: 10.34740/kaggle/dsv/6351817
title: Global Genomic Neurofibromatosis Neoplasia
DOI: 10.34740/kaggle/dsv/6351828
title: UNET Lung Segmentation Weights for Chest X Rays
DOI: 10.20394/f2vqndj1
title: Spatial Urban Data System

description: UBDC is currently developing a Spatial Urban Data System, comprising various spatial data that describes facets of cities. Underpinning these objectives is the definition of a multi-dimensional geographic database containing spatially and temporally indexed real and synthetic small scale data that cover a wide range of social, economic, natural, built-environment and physical infrastructure aspects. Initial work has focused on the development of indicators, based on ISO 37120, the international standard for quality of life indicators intended to outline key measurements to evaluate service delivery and quality of life, and are designed to help cities assess performance and measure progress over time to improve the quality of life. UBDC’s open indicators cover fourteen built up areas in England, Wales and Scotland at 2011 Census output area level. Four economic indicators are derived from the 2011 Census and cover percentage of persons in full-employment; youth unemployment, and unemployment rates of both economically active and inactive. A green spaces indicator shows the percentage of Census 2011 output area that is covered by green space, with data derived from the European Environment Agency's European Urban Atlas. We are currently producing interim transit availability data and indices, as well as developing labour market and health care accessibility indicators.
DOI: 10.6084/m9.figshare.23717832
title: Supplementary Material for: Assessment and evaluation of psychosocial distress in outpatients with cancer at a university hospital in Germany

description: Introduction: Cancer patients (pts) suffer from a significant amount of psychosocial distress related to tumor disease itself or straining treatments. Despite recommendations how to screen for and to deal with psychosocial distress in cancer pts, data about implementation of psycho-oncological interventions (poi) in outpatient settings of cancer pts is scarce. Aim of this study was to identify outpatients with cancer in need of poi and to evaluate different assessment instruments. Methods: N=200 outpatients with haemato-/oncological malignancies were interviewed between October 2015 and December 2017 at the University Hospital Mannheim using the Basic Documentation for Psycho-Oncology (PO-Bado) and the Hornheider Screening Instrument (HSI) – both clinician-administered assessment tools – followed by descriptive, univariate and agreement analysis. Results: N=61 cancer pts (31%) were identified to be in need for poi considering the results of both questionnaires. The number of identified patients in need of poi was lower when analyzing the results of the PO-Bado (n=42, 21%) and the HSI (n=39, 20%) separately. The degree of agreement the results of PO-Bado and HSI was low (kappa=0.3655). Several factors like gender, age and diagnosis were identified to have significant impact on the need for poi (p≤0.05). Discussion/Conclusion: Our study underlines, that different screening instruments for psychosocial distress may identify disparate populations of cancer pts. The study data also revealed significant characteristics that might be associated with elevated levels of psychosocial distress and a clear indication for poi. However, further analyses on larger populations of cancer pts are needed to provide information how to transfer positive screening to poi in clinical routine.
DOI: 10.6084/m9.figshare.23717832.v1
title: Supplementary Material for: Assessment and evaluation of psychosocial distress in outpatients with cancer at a university hospital in Germany

description: Introduction: Cancer patients (pts) suffer from a significant amount of psychosocial distress related to tumor disease itself or straining treatments. Despite recommendations how to screen for and to deal with psychosocial distress in cancer pts, data about implementation of psycho-oncological interventions (poi) in outpatient settings of cancer pts is scarce. Aim of this study was to identify outpatients with cancer in need of poi and to evaluate different assessment instruments. Methods: N=200 outpatients with haemato-/oncological malignancies were interviewed between October 2015 and December 2017 at the University Hospital Mannheim using the Basic Documentation for Psycho-Oncology (PO-Bado) and the Hornheider Screening Instrument (HSI) – both clinician-administered assessment tools – followed by descriptive, univariate and agreement analysis. Results: N=61 cancer pts (31%) were identified to be in need for poi considering the results of both questionnaires. The number of identified patients in need of poi was lower when analyzing the results of the PO-Bado (n=42, 21%) and the HSI (n=39, 20%) separately. The degree of agreement the results of PO-Bado and HSI was low (kappa=0.3655). Several factors like gender, age and diagnosis were identified to have significant impact on the need for poi (p≤0.05). Discussion/Conclusion: Our study underlines, that different screening instruments for psychosocial distress may identify disparate populations of cancer pts. The study data also revealed significant characteristics that might be associated with elevated levels of psychosocial distress and a clear indication for poi. However, further analyses on larger populations of cancer pts are needed to provide information how to transfer positive screening to poi in clinical routine.
DOI: 10.34740/kaggle/dsv/6351837
title: Intents Json Dataset
DOI: 10.5281/zenodo.7429088
title: Research data supporting "Tin phosphide anodes for potassium-ion batteries: insights from crystal structure prediction"

description: This dataset contains the output files of crystal structure prediction calculations (density-functional theory relaxations, bandstructures, phonon calculations, GIPAW-NMR calculations) on the ternary K-Sn-P phase diagram. All calculations were performed with the CASTEP DFT package (https://www.castep.org/) and the "matador" Python library (https://github.com/ml-evs/matador). <strong>Contents:</strong> "convergence_tests.zip": contains the results of convergence tests on the K-P system at two levels of accuracy "polish" and "searches" on the corresponding edge of the K-Sn-P ternary system "phonons.zip": contains CASTEP output files for phonon calculations on the predicted low-lying phases on the corresponding edge of the K-Sn-P phase diagram "polish.zip": contains CASTEP output files of relaxations on the corresponding edge of the K-Sn-P system at the "polish" level of accuracy using various different xc-functionals or external pressures. "searches.zip": contains ".res" files that provide the relaxed structure from each different crystal structure prediction method on the corresponding edge of the K-Sn-P system. "bulk_modulus.zip" contains CASTEP output files for calculation of E(V) curves for low-lying KP phases with different xc-functionals. "nmr.zip" contains CASTEP output files for GIPAW-NMR calculations of chemical shifts for low-lying K-Sn-P phases. "spectral.zip" contains CASTEP and OptaDOS output files for projected bandstructure and DOS calculations of low-lying K-Sn-P phases. "digests.zip" contains JSON representations of all the structures from polish and searches, broken down into K-P and K-Sn-P specific digests.
DOI: 10.5281/zenodo.6546649
title: Research data supporting "Tin phosphide anodes for potassium-ion batteries: insights from crystal structure prediction"

description: This dataset contains the output files of crystal structure prediction calculations (density-functional theory relaxations, bandstructures, phonon calculations, GIPAW-NMR calculations) on the ternary K-Sn-P phase diagram. All calculations were performed with the CASTEP DFT package (https://www.castep.org/) and the "matador" Python library (https://github.com/ml-evs/matador). <strong>Contents:</strong> "convergence_tests.zip": contains the results of convergence tests on the K-P system at two levels of accuracy "polish" and "searches" on the corresponding edge of the K-Sn-P ternary system "phonons.zip": contains CASTEP output files for phonon calculations on the predicted low-lying phases on the corresponding edge of the K-Sn-P phase diagram "polish.zip": contains CASTEP output files of relaxations on the corresponding edge of the K-Sn-P system at the "polish" level of accuracy using various different xc-functionals or external pressures. "searches.zip": contains ".res" files that provide the relaxed structure from each different crystal structure prediction method on the corresponding edge of the K-Sn-P system. "bulk_modulus.zip" contains CASTEP output files for calculation of E(V) curves for low-lying KP phases with different xc-functionals. "nmr.zip" contains CASTEP output files for GIPAW-NMR calculations of chemical shifts for low-lying K-Sn-P phases. "spectral.zip" contains CASTEP and OptaDOS output files for projected bandstructure and DOS calculations of low-lying K-Sn-P phases. "digests.zip" contains JSON representations of all the structures from polish and searches, broken down into K-P and K-Sn-P specific digests.
DOI: 10.6084/m9.figshare.24017643
title: <b>MOE source data</b>

description: source data in manuscript<br>
DOI: 10.6084/m9.figshare.24017643.v1
title: <b>MOE source data</b>

description: source data in manuscript<br>
DOI: 10.5517/cc5zf0k
title: CCDC 178188: Experimental Crystal Structure Determination

description: Related Article: M.W.Day, T.M.Trnka, R.H.Grubbs|2004|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/ccdc.csd.cc270qcc
title: CCDC 2056272: Experimental Crystal Structure Determination

description: Related Article: José Manuel Botubol-Ares, Safa Cordón-Ouahhabi, Zakaria Moutaoukil, Isidro G. Collado, Manuel Jiménez-Tenorio, M. Carmen Puerta, Pedro Valerga|2021|Organometallics|40|792|doi:10.1021/acs.organomet.1c00045
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.cc2fz0gx
title: CCDC 2263169: Experimental Crystal Structure Determination

description: Related Article: Marcel Ehn, Miroslava Litecká, Michael G. S. Londesborough|2023|Inorg.Chem.Commun.|155|111021|doi:10.1016/j.inoche.2023.111021
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.cc2fz0hy
title: CCDC 2263170: Experimental Crystal Structure Determination

description: Related Article: Marcel Ehn, Miroslava Litecká, Michael G. S. Londesborough|2023|Inorg.Chem.Commun.|155|111021|doi:10.1016/j.inoche.2023.111021
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.