cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2brx89
title: CCDC 2167931: Experimental Crystal Structure Determination

description: Related Article: Rong Hu, Jia-Luo Huang, Fang-Yu Yuan, Xun Wei, Ming-Feng Zou, Gui-Hua Tang, Wei Li, Sheng Yin|2022|J.Org.Chem.|87|9301|doi:10.1021/acs.joc.2c01024
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.cc2brx78
title: CCDC 2167930: Experimental Crystal Structure Determination

description: Related Article: Rong Hu, Jia-Luo Huang, Fang-Yu Yuan, Xun Wei, Ming-Feng Zou, Gui-Hua Tang, Wei Li, Sheng Yin|2022|J.Org.Chem.|87|9301|doi:10.1021/acs.joc.2c01024
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.cc2bjjjy
title: CCDC 2160840: Experimental Crystal Structure Determination

description: Related Article: Manling Bao, Yuyang Dai, Chunmeng Liu, Yuanting Su|2022|Inorg.Chem.|61|11137|doi:10.1021/acs.inorgchem.2c00966
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.cc2bzqgj
title: CCDC 2174478: Experimental Crystal Structure Determination

description: Related Article: Juan Cheng, Yuandan Deng, Xuehua Dong, Jing Li, Ling Huang, Hongmei Zeng, Guohong Zou, Zhien Lin|2022|Inorg.Chem.|61|11032|doi:10.1021/acs.inorgchem.2c01782
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.cc2bz2q4
title: CCDC 2173866: Experimental Crystal Structure Determination

description: Related Article: Juan Cheng, Yuandan Deng, Xuehua Dong, Jing Li, Ling Huang, Hongmei Zeng, Guohong Zou, Zhien Lin|2022|Inorg.Chem.|61|11032|doi:10.1021/acs.inorgchem.2c01782
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.cc2bz2r5
title: CCDC 2173867: Experimental Crystal Structure Determination

description: Related Article: Juan Cheng, Yuandan Deng, Xuehua Dong, Jing Li, Ling Huang, Hongmei Zeng, Guohong Zou, Zhien Lin|2022|Inorg.Chem.|61|11032|doi:10.1021/acs.inorgchem.2c01782
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.cc2bz2s6
title: CCDC 2173868: Experimental Crystal Structure Determination

description: Related Article: Juan Cheng, Yuandan Deng, Xuehua Dong, Jing Li, Ling Huang, Hongmei Zeng, Guohong Zou, Zhien Lin|2022|Inorg.Chem.|61|11032|doi:10.1021/acs.inorgchem.2c01782
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.cc2bz2t7
title: CCDC 2173869: Experimental Crystal Structure Determination

description: Related Article: Juan Cheng, Yuandan Deng, Xuehua Dong, Jing Li, Ling Huang, Hongmei Zeng, Guohong Zou, Zhien Lin|2022|Inorg.Chem.|61|11032|doi:10.1021/acs.inorgchem.2c01782
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.6907175
title: Dataset: Multi-level network dataset of social-ecological interdependencies in ten Swiss wetlands based on qualitative interviews and quantitative surveys

description: The dataset originated from quantitative online surveys and qualitative expert interviews with organizational actors relevant to the governance of ten Swiss wetlands from 2019 till 2021. Multi-level networks represent the wetlands governance for each of the ten cases. The collaboration networks of actors form the first level of the multi-level networks and are connected to multiple other network levels that account for the social and ecological systems those actors are active in. 521 actors relevant to the management of the ten wetlands are included in the collaboration networks; quantitative survey data exists for 71% of them. A unique feature of the collaboration networks is that it differentiates between positive and negative forms of collaboration specified based on actors' activity areas. Therefore, the data describes not only if actors collaborate but also how and where actors collaborate. Further additional two-mode networks (actor participation in forums and involvement in other regions outside the case area) are elicited in the survey and connected to the collaboration network. Finally, the dataset also contains data on ecological system interdependencies in the form of conceptual maps derived from 34 expert interviews (3-4 experts per case).
DOI: 10.5281/zenodo.6884022
title: Dataset: Multi-level network dataset of social-ecological interdependencies in ten Swiss wetlands based on qualitative interviews and quantitative surveys

description: The dataset originated from quantitative online surveys and qualitative expert interviews with organizational actors relevant to the governance of ten Swiss wetlands from 2019 till 2021. Multi-level networks represent the wetlands governance for each of the ten cases. The collaboration networks of actors form the first level of the multi-level networks and are connected to multiple other network levels that account for the social and ecological systems those actors are active in. 521 actors relevant to the management of the ten wetlands are included in the collaboration networks; quantitative survey data exists for 71% of them. A unique feature of the collaboration networks is that it differentiates between positive and negative forms of collaboration specified based on actors' activity areas. Therefore, the data describes not only if actors collaborate but also how and where actors collaborate. Further additional two-mode networks (actor participation in forums and involvement in other regions outside the case area) are elicited in the survey and connected to the collaboration network. Finally, the dataset also contains data on ecological system interdependencies in the form of conceptual maps derived from 34 expert interviews (3-4 experts per case).
DOI: 10.5281/zenodo.6903330
title: Experimental data collected during first-phase testing of the Ground CO2 Mapper

description: The various Excel files included in this dataset report data from tests performed to assess the technical capabilities of the Ground CO2 Mapper, a newly developed tool that can be used to help reduce uncertainty in the mapping of geological or anthropogenic CO2 leakage from the ground surface. These files include data from a number of laboratory experiments as well as tests performed at a controlled release site and a natural site where geological CO2 is released over a large area. This dataset was used to create the various figures presented in the article "Development and testing of a rapid, sensitive, high-resolution tool to improve mapping of CO<sub>2</sub> leakage at the ground surface" by Graziani, Beaubien, Ciotoli and Bigi to be published in Applied Geochemistry.
DOI: 10.5281/zenodo.6903329
title: Experimental data collected during first-phase testing of the Ground CO2 Mapper

description: The various Excel files included in this dataset report data from tests performed to assess the technical capabilities of the Ground CO2 Mapper, a newly developed tool that can be used to help reduce uncertainty in the mapping of geological or anthropogenic CO2 leakage from the ground surface. These files include data from a number of laboratory experiments as well as tests performed at a controlled release site and a natural site where geological CO2 is released over a large area. This dataset was used to create the various figures presented in the article "Development and testing of a rapid, sensitive, high-resolution tool to improve mapping of CO<sub>2</sub> leakage at the ground surface" by Graziani, Beaubien, Ciotoli and Bigi to be published in Applied Geochemistry.
DOI: 10.5281/zenodo.6907125
title: Twist Data - SIG4 Benchmarking

description: Raw Data - WES Twist Bonn
DOI: 10.5281/zenodo.6907124
title: Twist Data - SIG4 Benchmarking

description: Raw Data - WES Twist Bonn
DOI: 10.6084/m9.figshare.19787566
title: The gill transcriptome of threatened European freshwater mussels

description: Genomic tools applied to non-model organisms are critical to design successful conservation strategies of particularly threatened groups. Freshwater mussels of the Unionida order are among the most vulnerable taxa and yet almost no genetic resources are available. Here, we present the gill transcriptomes of five European freshwater mussels with high conservation concern: <em>Margaritifera margaritifera</em>, <em>Unio crassus</em>, <em>Unio pictorum</em>, <em>Unio mancus</em> and <em>Unio delphinus</em>. The final assemblies, with N50 values ranging from 1069-1895bp and total BUSCO scores above 90% (Eukaryote and Metazoan databases), were structurally and functionally annotated, and made available. The transcriptomes here produced represent a valuable resource for future studies on these species’ biology and ultimately guide their conservation.
DOI: 10.6084/m9.figshare.19787566.v1
title: “Take Five”: The gill transcriptome of threatened European freshwater mussels

description: Genomic tools applied to non-model organisms are critical to design successful conservation strategies of particularly threatened groups. Freshwater mussels of the Unionida order are among the most vulnerable taxa and yet almost no genetic resources are available. Here, we present the gill transcriptomes of five European freshwater mussels with high conservation concern: <em>Margaritifera margaritifera</em>, <em>Unio crassus</em>, <em>Unio pictorum</em>, <em>Unio mancus</em> and <em>Unio delphinus</em>. The final assemblies, with N50 values ranging from 1069-1895bp and total BUSCO scores above 90% (Eukaryote and Metazoan databases), were structurally and functionally annotated, and made available. The transcriptomes here produced represent a valuable resource for future studies on these species’ biology and ultimately guide their conservation.
DOI: 10.6084/m9.figshare.20375757
title: Supplementary Material for: Fetal Hemoglobin and Cerebral Tissue Oxygenation during Immediate Postnatal Transition

description: <b><i>Introduction:</i></b> Concentration of fetal hemoglobin (HbFc) in human neonates determines oxygen-carrying capacity of blood and the position of oxyhemoglobin dissociation curve. Near-infrared spectroscopy enables the measurement of regional cerebral tissue oxygen saturation (rScO<sub>2</sub>) and in combination with measurements of pulsatile arterial oxygen saturation (SpO<sub>2</sub>), the calculation of cerebral fractional tissue oxygen extraction (cFTOE). <b><i>Methods:</i></b> We aimed to investigate the impact of HbFc on rScO<sub>2</sub>, cFTOE, and SpO<sub>2</sub> in preterm and term neonates during the first 15 min after birth. Blood analyses provided total blood hemoglobin (Hb) and HbFc measurements. Correlations between HbFc, Hb and rScO<sub>2</sub>, cFTOE, and SpO<sub>2</sub> in each minute were analyzed. <b><i>Results:</i></b> Ninety term and 19 preterm neonates without medical support were included. HbFc was significantly higher in preterm neonates, whereas there were no significant differences in Hb between the groups. In preterm neonates, we found positive correlations of both HbFc and Hb with rScO<sub>2</sub> and negative correlations of HbFc and Hb with cFTOE in the first minutes after birth. In contrast, there were no significant correlations between the same parameters in term neonates. Correlations between HbFc or Hb and SpO<sub>2</sub> were either insignificant, negligible, or very low in both groups. <b><i>Discussion/Conclusion:</i></b> In preterm neonates, higher HbFc was associated with higher rScO<sub>2</sub> and lower cFTOE in the first minutes after birth. This phenomenon could not be confirmed in term neonates and might reflect immature autoregulation of oxygen delivery to the brain or lower oxygen consumption in preterm neonates in the first minutes of immediate postnatal transition.
DOI: 10.5523/bris.1jmu8pj7rzm6p2td4lwhl569ej
title: CF3I VMI

description: Underpinning data for m/s on SFI CEI of CF3I
DOI: 10.5517/ccdc.csd.cc2662cw
title: CCDC 2031627: Experimental Crystal Structure Determination

description: Related Article: Lieqiang Liao, Ruidong Liu, Shuwen Hu, Wenting Jiang, Yali Chen, Jinlian Zhong, Xinjian Jia, Huijin Liu, Xuzhong Luo|2022|RSC Advances|12|20218|doi:10.1039/D2RA01391F
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: 10.6084/m9.figshare.19317777.v2
title: Terpene exhaust emissions and impact ozone modeling from cannabis plants at commercial indoor cultivation facilities in Colorado

description: In 2019, an air emission field sampling study was conducted by the Colorado Department of Public Health and Environment (CDPHE) Air Pollution Control Division (APCD) at three commercial cannabis cultivation facilities. The goal of the study was to quantify biogenic-terpene volatile organic compound (VOC) emissions from growing cannabis at cultivation facility exhaust points to estimate a VOC emission rate by a top-down approach. The resulting VOC emission rates were then used in combination with 2019 commercial cannabis cultivation facility biomass production volumes (harvest weight) and cultivation locations from the Colorado Department of Revenue’s Marijuana Enforcement Division (MED) to model the potential ozone and PM<sub>2.5</sub> formation impacts of the cannabis industry in the Denver Metro North Front Range (DM/NFR) Ozone Nonattainment Area (NAA). Despite cannabis cultivation facilities’ high nuisance odors, this study found the biogenic VOC emission rate from the sampled indoor facilities to be low (2.13 lbs to 11.12 lbs of VOC/ton of cannabis harvested), even at large production facilities. The dominant terpenes from this sampling study present in most samples were β-caryophyllene, D-limonene, terpinolene, α-pinene, β-pinene, and β-myrcene, respectively, by concentration. Interestingly, the cannabis emissions exhaust profile lacked isoprene, a terpene commonly emitted from other plants that is highly reactive and has great potential to contribute to ozone formation (Sharkey et al. 2008). The low biogenic VOC emission rate and the lack of isoprene from the cannabis cultivation facilities sampled resulted in a very low to negligible impact on both ozone formation (0.005–0.009% increase in ozone from cannabis cultivation) and PM<sub>2.5</sub> formation (largest maximum 24-hr PM<sub>2.5</sub> difference of 0.009 µg/m<sup>3</sup>) in the DM/NFR NAA. <i>Implications</i>: This study concluded that even though cannabis cultivation facilities can have overwhelming nuisance odor impacts, based on samples collected and production rates they actually have a low VOC emission rate (2.13 to 11.12 lbs of VOC/ton of cannabis harvested), even at large high-volume production facilities. Additionally, the dominant VOC emissions from samples collected at the three cannabis cultivation facilities were β-caryophyllene, D-limonene, terpinolene, α-pinene, β-pinene, and β-myrcene. The low biogenic VOC emission rate and the lack of isoprene from the cannabis cultivation facilities sampled resulted in a very low to negligible impact on both ozone formation (0.005%–0.009% increase in ozone from cannabis cultivation) and PM<sub>2.5</sub> formation (largest maximum 24-hr PM<sub>2.5</sub> difference of 0.009 µg/m<sup>3</sup>) in the DM/NFR NAA.
DOI: 10.6084/m9.figshare.19317777
title: Terpene exhaust emissions and impact ozone modeling from cannabis plants at commercial indoor cultivation facilities in Colorado

description: In 2019, an air emission field sampling study was conducted by the Colorado Department of Public Health and Environment (CDPHE) Air Pollution Control Division (APCD) at three commercial cannabis cultivation facilities. The goal of the study was to quantify biogenic-terpene volatile organic compound (VOC) emissions from growing cannabis at cultivation facility exhaust points to estimate a VOC emission rate by a top-down approach. The resulting VOC emission rates were then used in combination with 2019 commercial cannabis cultivation facility biomass production volumes (harvest weight) and cultivation locations from the Colorado Department of Revenue’s Marijuana Enforcement Division (MED) to model the potential ozone and PM<sub>2.5</sub> formation impacts of the cannabis industry in the Denver Metro North Front Range (DM/NFR) Ozone Nonattainment Area (NAA). Despite cannabis cultivation facilities’ high nuisance odors, this study found the biogenic VOC emission rate from the sampled indoor facilities to be low (2.13 lbs to 11.12 lbs of VOC/ton of cannabis harvested), even at large production facilities. The dominant terpenes from this sampling study present in most samples were β-caryophyllene, D-limonene, terpinolene, α-pinene, β-pinene, and β-myrcene, respectively, by concentration. Interestingly, the cannabis emissions exhaust profile lacked isoprene, a terpene commonly emitted from other plants that is highly reactive and has great potential to contribute to ozone formation (Sharkey et al. 2008). The low biogenic VOC emission rate and the lack of isoprene from the cannabis cultivation facilities sampled resulted in a very low to negligible impact on both ozone formation (0.005–0.009% increase in ozone from cannabis cultivation) and PM<sub>2.5</sub> formation (largest maximum 24-hr PM<sub>2.5</sub> difference of 0.009 µg/m<sup>3</sup>) in the DM/NFR NAA. <i>Implications</i>: This study concluded that even though cannabis cultivation facilities can have overwhelming nuisance odor impacts, based on samples collected and production rates they actually have a low VOC emission rate (2.13 to 11.12 lbs of VOC/ton of cannabis harvested), even at large high-volume production facilities. Additionally, the dominant VOC emissions from samples collected at the three cannabis cultivation facilities were β-caryophyllene, D-limonene, terpinolene, α-pinene, β-pinene, and β-myrcene. The low biogenic VOC emission rate and the lack of isoprene from the cannabis cultivation facilities sampled resulted in a very low to negligible impact on both ozone formation (0.005%–0.009% increase in ozone from cannabis cultivation) and PM<sub>2.5</sub> formation (largest maximum 24-hr PM<sub>2.5</sub> difference of 0.009 µg/m<sup>3</sup>) in the DM/NFR NAA.
DOI: 10.6084/m9.figshare.19317777.v1
title: Terpene Exhaust Emissions and Impact Ozone Modeling from Cannabis Plants at Commercial Indoor Cultivation Facilities in Colorado

description: In 2019, an air emissions field sampling study was conducted by the Colorado Department of Public Health and Environment (CDPHE) Air Pollution Control Division (APCD) at three commercial cannabis cultivation facilities. The goal of the study was to quantify biogenic-terpene volatile organic compound (VOC) emissions from growing cannabis at cultivation facility exhaust points to estimate a VOC emission rate by a top-down approach. The resulting VOC emission rates were then used in combination with 2019 commercial cannabis cultivation facility biomass production volumes (harvest weight) and cultivation locations from the Colorado Department of Revenue’s Marijuana Enforcement Division (MED) to model the potential ozone and PM<sub>2.5</sub> formation impacts of the cannabis industry in the Denver Metro North Front Range (DM/NFR) Ozone Nonattainment Area (NAA). Despite cannabis cultivation facilities’ high nuisance odors, this study found the biogenic VOC emissions rate from the sampled indoor facilities to be low (2.13 lbs to 11.12 lbs of VOC/ton of cannabis harvested), even at large production facilities. The dominant terpenes from this sampling study present in most samples were β-caryophyllene, D-limonene, terpinolene, α-pinene, β-pinene and β-myrcene respectively by concentration. Interestingly, the cannabis emissions exhaust profile lacked isoprene, a terpene commonly emitted from other plants that is highly reactive and has great potential to contribute to ozone formation [Sharkey et al 2007, Wang et al. 2019]. The low biogenic VOC emissions rate and the lack of isoprene from the cannabis cultivation facilities sampled resulted in a very low to negligible impact on both ozone formation (0.005% - 0.009% increase in ozone from cannabis cultivation) and PM<sub>2.5</sub> formation (largest maximum 24-hour PM<sub>2.5</sub> difference of 0.009 µg/m<sup>3</sup>) in the DM/NFR NAA.
DOI: 10.6084/m9.figshare.20373930
title: Does 3-week pulmonary rehabilitation influence on oscillometry parameters lung cancer patients after thoracic surgery?

description: The study aimed to assess whether pulmomnary rehabilitation has an influence on oscillometric results in lung cancer patients subjected to thoracic surgery in comparison with IPF and COPD patients.
DOI: 10.6084/m9.figshare.20373930.v1
title: Does 3-week pulmonary rehabilitation influence on oscillometry parameters lung cancer patients after thoracic surgery?

description: The study aimed to assess whether pulmomnary rehabilitation has an influence on oscillometric results in lung cancer patients subjected to thoracic surgery in comparison with IPF and COPD patients.