cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2972j5
title: CCDC 2121966: Experimental Crystal Structure Determination

description: Related Article: Yafei Shi|2021|CSD Communication|||
description: Related Article: Yafei Shi, Chenglong Li, Hongwei Ma, Zhao Cao, Kanglei Liu, Xiaodong Yin, Nan Wang, Pangkuan Chen|2022|Org.Lett.|24|5497|doi:10.1021/acs.orglett.2c02344
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.cc2972l7
title: CCDC 2121968: Experimental Crystal Structure Determination

description: Related Article: Yafei Shi|2021|CSD Communication|||
description: Related Article: Yafei Shi, Chenglong Li, Hongwei Ma, Zhao Cao, Kanglei Liu, Xiaodong Yin, Nan Wang, Pangkuan Chen|2022|Org.Lett.|24|5497|doi:10.1021/acs.orglett.2c02344
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.cc297yh0
title: CCDC 2122802: Experimental Crystal Structure Determination

description: Related Article: Régis Guillot, Idris Tlemsani, Talal Mallah|2021|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.cc2972k6
title: CCDC 2121967: Experimental Crystal Structure Determination

description: Related Article: Yafei Shi|2021|CSD Communication|||
description: Related Article: Yafei Shi, Chenglong Li, Hongwei Ma, Zhao Cao, Kanglei Liu, Xiaodong Yin, Nan Wang, Pangkuan Chen|2022|Org.Lett.|24|5497|doi:10.1021/acs.orglett.2c02344
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.cc2981qc
title: CCDC 2122902: Experimental Crystal Structure Determination

description: Related Article: Duncan W. Bruce, Linda J. McAllister, Natalie E. Pridmore, Adrian C. Whitwood|2021|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.cc29drp5
title: CCDC 2127427: Experimental Crystal Structure Determination

description: Related Article: Ricarda Berger, Edwin Weber, Anke Schwarzer|2021|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.cc29ds8s
title: CCDC 2127445: Experimental Crystal Structure Determination

description: Related Article: Marika Felsmann, Edwin Weber, Anke Schwarzer|2021|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.cc29fq9s
title: CCDC 2128345: Experimental Crystal Structure Determination

description: Related Article: Chuang Niu|2021|CSD Communication|||
description: Related Article: Chuang Niu, Zhiwei Xu, Xinmin Huang, Wei-Feng Wang, Zheng-Chun Yin, Guan-Wu Wang|2022|Org.Lett.|24|5530|doi:10.1021/acs.orglett.2c01948
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.10556609
title: Single-atom catalysis in space II: on the journey of ethanol and methane synthesis via Fischer-Tropsch chain growth

description: This supporting material contains:



Cartesian coordinates of the PBE optimized minima and transition states for the reactions under study, in XYZ format.

Inputs for the CP2K and Crystal17 packages.

Vibrational calculations with all the frequencies.

RRKM data.


Note that this work is a continuation of the work entitled "Single-atom catalysis in space: Computational exploration of Fischer–Tropsch reactions in astrophysical environments". Therefore, some of the structures depicted in this work were already included here: https://zenodo.org/records/8380174
DOI: 10.5281/zenodo.10556610
title: Single-atom catalysis in space II: on the journey of ethanol and methane synthesis via Fischer-Tropsch chain growth

description: This supporting material contains:



Cartesian coordinates of the PBE optimized minima and transition states for the reactions under study, in XYZ format.

Inputs for the CP2K and Crystal17 packages.

Vibrational calculations with all the frequencies.

RRKM data.


Note that this work is a continuation of the work entitled "Single-atom catalysis in space: Computational exploration of Fischer–Tropsch reactions in astrophysical environments". Therefore, some of the structures depicted in this work were already included here: https://zenodo.org/records/8380174
DOI: 10.6084/m9.figshare.25054604
title: Supplementary Material for: Patient Experience and Preferences for the Assessment of Olfaction: The Patient International Clinical Assessment of Smell Survey

description: <b><i>Introduction:</i></b> Olfactory dysfunction (OD) is common and carries significant personal and societal burden of disease. Accurate assessment of olfaction is required for good clinical care and affords patients insight into their condition. However, the accuracy of assessment varies with technique used, and there is presently little standardisation of clinical practice. We therefore aimed to determine experience of and preferences for olfactory assessment in healthcare-seeking adults. <b><i>Methods:</i></b> An anonymous patient co-produced survey was developed in collaboration with a UK-based OD charity. Distribution was via their social media patient forum. “Healthcare seeking” adults (i.e., who had undergone olfactory assessment by a healthcare professional [any care level/speciality] or may do so in the future) were included. <b><i>Results:</i></b> 576 people (88.5% female, mean 46 years) responded. Hyposmia, parosmia, and retronasal OD were most frequently reported. 55.2% had been assessed by a healthcare professional – GP most commonly, followed by ENT. Importantly, only 15.6% and 16.9% of respondents had undergone systematic assessment with smell tests or symptom questionnaires, respectively. Most respondents had not undergone imaging. Mean satisfaction was higher in those seen by ENT. Interestingly, respondents prioritise orthonasal odour identification over other forms of smell test. Unfortunately, many felt that healthcare professionals (across specialities) were dismissive towards OD and lacked appropriate knowledge of both its pathophysiology and effects. We propose simple steps that can be taken to improve olfactory assessment, including education and establishment of robust referral networks. <b><i>Conclusion:</i></b> We hope these results and supporting practical recommendations will inform future service planning, funding allocation and research, as well as better aligning patient and clinician priorities.
DOI: 10.6084/m9.figshare.25054604.v2
title: Supplementary Material for: Patient Experience and Preferences for the Assessment of Olfaction: The Patient International Clinical Assessment of Smell Survey

description: <b><i>Introduction:</i></b> Olfactory dysfunction (OD) is common and carries significant personal and societal burden of disease. Accurate assessment of olfaction is required for good clinical care and affords patients insight into their condition. However, the accuracy of assessment varies with technique used, and there is presently little standardisation of clinical practice. We therefore aimed to determine experience of and preferences for olfactory assessment in healthcare-seeking adults. <b><i>Methods:</i></b> An anonymous patient co-produced survey was developed in collaboration with a UK-based OD charity. Distribution was via their social media patient forum. “Healthcare seeking” adults (i.e., who had undergone olfactory assessment by a healthcare professional [any care level/speciality] or may do so in the future) were included. <b><i>Results:</i></b> 576 people (88.5% female, mean 46 years) responded. Hyposmia, parosmia, and retronasal OD were most frequently reported. 55.2% had been assessed by a healthcare professional – GP most commonly, followed by ENT. Importantly, only 15.6% and 16.9% of respondents had undergone systematic assessment with smell tests or symptom questionnaires, respectively. Most respondents had not undergone imaging. Mean satisfaction was higher in those seen by ENT. Interestingly, respondents prioritise orthonasal odour identification over other forms of smell test. Unfortunately, many felt that healthcare professionals (across specialities) were dismissive towards OD and lacked appropriate knowledge of both its pathophysiology and effects. We propose simple steps that can be taken to improve olfactory assessment, including education and establishment of robust referral networks. <b><i>Conclusion:</i></b> We hope these results and supporting practical recommendations will inform future service planning, funding allocation and research, as well as better aligning patient and clinician priorities.
DOI: 10.6084/m9.figshare.25054604.v1
title: Supplementary Material for: Patient Experience and Preferences for the Assessment of Olfaction: The Patient International Clinical Assessment of Smell Survey

description: <b><i>Introduction:</i></b> Olfactory dysfunction (OD) is common and carries significant personal and societal burden of disease. Accurate assessment of olfaction is required for good clinical care and affords patients insight into their condition. However, the accuracy of assessment varies with technique used, and there is presently little standardisation of clinical practice. We therefore aimed to determine experience of and preferences for olfactory assessment in healthcare-seeking adults. <b><i>Methods:</i></b> An anonymous patient co-produced survey was developed in collaboration with a UK-based OD charity. Distribution was via their social media patient forum. “Healthcare seeking” adults (i.e., who had undergone olfactory assessment by a healthcare professional [any care level/speciality] or may do so in the future) were included. <b><i>Results:</i></b> 576 people (88.5% female, mean 46 years) responded. Hyposmia, parosmia, and retronasal OD were most frequently reported. 55.2% had been assessed by a healthcare professional – GP most commonly, followed by ENT. Importantly, only 15.6% and 16.9% of respondents had undergone systematic assessment with smell tests or symptom questionnaires, respectively. Most respondents had not undergone imaging. Mean satisfaction was higher in those seen by ENT. Interestingly, respondents prioritise orthonasal odour identification over other forms of smell test. Unfortunately, many felt that healthcare professionals (across specialities) were dismissive towards OD and lacked appropriate knowledge of both its pathophysiology and effects. We propose simple steps that can be taken to improve olfactory assessment, including education and establishment of robust referral networks. <b><i>Conclusion:</i></b> We hope these results and supporting practical recommendations will inform future service planning, funding allocation and research, as well as better aligning patient and clinician priorities.
DOI: 10.6084/m9.figshare.23127903
title: Starting a Conversation about Vulnerability in Elite Sport

description: Psychological strengths are idealized in elite sport and contribute to the presence of stigma surrounding mental health issues and a high threshold for help-seeking behavior. Recently, scholars have argued that the concept of vulnerability has the potential to challenge the dominance of the performance narrative in sport. In this article, we provide practitioners with innovative poem and word cloud resources based on insights from high-performance coaches to enable conversations about vulnerability in sport. We hope practitioners will use these resources to stimulate reflection and dialogue about vulnerability, which may lower thresholds for help-seeking and foster sustainability in sport organizations.
DOI: 10.6084/m9.figshare.23127903.v1
title: Starting a Conversation about Vulnerability in Elite Sport

description: Psychological strengths are idealized in elite sport and contribute to the presence of stigma surrounding mental health issues and a high threshold for help-seeking behavior. Recently, scholars have argued that the concept of vulnerability has the potential to challenge the dominance of the performance narrative in sport. In this article, we provide practitioners with innovative poem and word cloud resources based on insights from high-performance coaches to enable conversations about vulnerability in sport. We hope practitioners will use these resources to stimulate reflection and dialogue about vulnerability, which may lower thresholds for help-seeking and foster sustainability in sport organizations.
DOI: 10.6084/m9.figshare.23127903.v2
title: Starting a Conversation about Vulnerability in Elite Sport

description: Psychological strengths are idealized in elite sport and contribute to the presence of stigma surrounding mental health issues and a high threshold for help-seeking behavior. Recently, scholars have argued that the concept of vulnerability has the potential to challenge the dominance of the performance narrative in sport. In this article, we provide practitioners with innovative poem and word cloud resources based on insights from high-performance coaches to enable conversations about vulnerability in sport. We hope practitioners will use these resources to stimulate reflection and dialogue about vulnerability, which may lower thresholds for help-seeking and foster sustainability in sport organizations.
DOI: 10.25380/iastate.24871656
title: Locally Enhanced Digital Soil Map (LE-DSM) Soil Organic Matter and Particle Size Fractions 10-m Resolution Maps for North Central Iowa.

description: The locally enhanced digital soil map (LE-DSM) dataset contains total of 48 maps of soil particle size fractions (psf) (sand, silt, and clay), texture classes, and organic matter (OM) content predicted by digital soil mapping methods and machine learning at 6 depth intervals of 0-5 cm, 5-15 cm, 15-30 cm, 30-60 cm, 60-100 cm, and 100-200 cm. The maps encompass 39 counties in north-central Iowa with a native resolution of 10 meters in the World Geodetic System 1984 Datum (WGS84) Universal Transverse Mercator (UTM) 15 North coordinate system. For soil particle size fractions (sand, silt, and clay), the original predictions were normalized to equal 100% and mapped. The normalized fractions were used to classify and map United States Department of Agriculture soil texture classes. The 48 maps are GeoTiffs, with the main file in TIF and other associated files such as XML, OVR, and TFW.<br><b>Change Log:</b> a prior version of this data set used the acronym "BUDSS" instead of "LE-DSM" and various typos have been corrected. Revised 2024-01
DOI: 10.25380/iastate.24871656.v2
title: Locally Enhanced Digital Soil Map (LE-DSM) Soil Organic Matter and Particle Size Fractions 10-m Resolution Maps for North Central Iowa.

description: The locally enhanced digital soil map (LE-DSM) dataset contains total of 48 maps of soil particle size fractions (psf) (sand, silt, and clay), texture classes, and organic matter (OM) content predicted by digital soil mapping methods and machine learning at 6 depth intervals of 0-5 cm, 5-15 cm, 15-30 cm, 30-60 cm, 60-100 cm, and 100-200 cm. The maps encompass 39 counties in north-central Iowa with a native resolution of 10 meters in the World Geodetic System 1984 Datum (WGS84) Universal Transverse Mercator (UTM) 15 North coordinate system. For soil particle size fractions (sand, silt, and clay), the original predictions were normalized to equal 100% and mapped. The normalized fractions were used to classify and map United States Department of Agriculture soil texture classes. The 48 maps are GeoTiffs, with the main file in TIF and other associated files such as XML, OVR, and TFW.<br><b>Change Log:</b> a prior version of this data set used the acronym "BUDSS" instead of "LE-DSM" and various typos have been corrected. Revised 2024-01
DOI: 10.25380/iastate.24871656.v1
title: Locally Enhanced Digital Soil Map (LE-DSM) Soil Organic Matter and Particle Size Fractions 10-m Resolution Maps for North Central Iowa

description: The locally enhanced digital soil map (LE-DSM) dataset contains total of 48 maps of soil particle size fractions (psf) (sand, silt, and clay), texture classes, and organic matter (OM) content predicted by digital soil mapping methods and machine learning at 6 depth intervals of 0-5 cm, 5-15 cm, 15-30 cm, 30-60 cm, 60-100 cm, and 100-200 cm. The maps encompass 39 counties in north-central Iowa with a native resolution of 10 meters in the World Geodetic System 1984 Datum (WGS84) Universal Transverse Mercator (UTM) 15 North coordinate system. For soil particle size fractions (sand, silt, and clay), the original predictions were normalized to equal 100% and mapped. The normalized fractions were used to classify and map United States Department of Agriculture soil texture classes. The 48 maps are GeoTiffs, with the main file in TIF and other associated files such as XML, OVR, and TFW.<br>Change Log: v2 renamed the acronym "BUDSS" to "LE-DSM" and corrected typos. Revised 01/2024
DOI: 10.6084/m9.figshare.24935529
title: Supplementary Material for: National trends and prevalence of atopic dermatitis and pandemic-related factors among Korean adults, 2007-2021

description: Purpose: Previous studies have variably reported inconclusive trends in the prevalence of atopic dermatitis (AD) among adults, and there is limited data on the impact of the COVID-19 pandemic. We aimed to investigate the national trends and age-stratified prevalence of AD among adults from 2007 to 2021 in South Korea, focusing mainly on the impact of the COVID-19 pandemic-related factors.
Methods: A nationwide cross-sectional study was conducted using the Korea National Health and Nutrition Examination Survey (KNHANES) data from 2007 to 2021. Overall and age-stratified prevalence for AD were assessed using weighted beta coefficients or odds ratios.
Results: A total of 83,566 adults over 20 years (male, 49.40%) were included. During the observation period, the prevalence of AD was stable in the overall population from 2.61% (95% CI, 2.29-2.93) in 2007-2009 to 2.15% (1.68-2.63) in 2020 and 2.38% (1.81-2.95) in 2021. However, the weighted prevalence of AD in adults aged 40 to 59 years old decreased during the pre-pandemic era, and the prevalence of AD in adults aged above 60 years significantly decreased during the pandemic, with a significant decline observed after the initial outbreak. From age-stratification analysis, the adults aged 40 to 59 years showed a significant increase after the pandemic outbreak was evident in specific variables: individuals with rural residence, lower education, and lower household income quartiles. Adults aged above 60 years old showed a significant decrease in the slope after the outbreak, evident in specific variables: individuals of female, rural residence, lower education, and lower household income quartiles. 
Conclusion: We observed a stable overall prevalence of AD throughout the 15-year observation period. However, the age-stratified analysis suggested significantly different trends according to age-stratified groups and the impact of the COVID-19 pandemic on the prevalence of AD.
DOI: 10.6084/m9.figshare.24935529.v1
title: Supplementary Material for: National trends and prevalence of atopic dermatitis and pandemic-related factors among Korean adults, 2007-2021

description: Purpose: Previous studies have variably reported inconclusive trends in the prevalence of atopic dermatitis (AD) among adults, and there is limited data on the impact of the COVID-19 pandemic. We aimed to investigate the national trends and age-stratified prevalence of AD among adults from 2007 to 2021 in South Korea, focusing mainly on the impact of the COVID-19 pandemic-related factors.
Methods: A nationwide cross-sectional study was conducted using the Korea National Health and Nutrition Examination Survey (KNHANES) data from 2007 to 2021. Overall and age-stratified prevalence for AD were assessed using weighted beta coefficients or odds ratios.
Results: A total of 83,566 adults over 20 years (male, 49.40%) were included. During the observation period, the prevalence of AD was stable in the overall population from 2.61% (95% CI, 2.29-2.93) in 2007-2009 to 2.15% (1.68-2.63) in 2020 and 2.38% (1.81-2.95) in 2021. However, the weighted prevalence of AD in adults aged 40 to 59 years old decreased during the pre-pandemic era, and the prevalence of AD in adults aged above 60 years significantly decreased during the pandemic, with a significant decline observed after the initial outbreak. From age-stratification analysis, the adults aged 40 to 59 years showed a significant increase after the pandemic outbreak was evident in specific variables: individuals with rural residence, lower education, and lower household income quartiles. Adults aged above 60 years old showed a significant decrease in the slope after the outbreak, evident in specific variables: individuals of female, rural residence, lower education, and lower household income quartiles. 
Conclusion: We observed a stable overall prevalence of AD throughout the 15-year observation period. However, the age-stratified analysis suggested significantly different trends according to age-stratified groups and the impact of the COVID-19 pandemic on the prevalence of AD.
DOI: 10.5281/zenodo.10531837
title: Source Data for: Auxin coreceptor IAA17/AXR3 controls cell elongation in Arabidopsis thaliana root solely by modulation of nuclear auxin pathway

description: Raw data associated with the publication "Auxin coreceptor IAA17/AXR3 controls cell elongation in Arabidopsis thaliana root solely by modulation of nuclear auxin pathway"

Each main figure is abbreviated as F, supplemental figures as S. To view the complete data for Figure 1, please download all parts (11) and decompress them in winRAR program.