cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.23675127
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.23675136
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.23675136.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: 10.5281/zenodo.8122382
title: swu_dhe v1: Sectoral water use responses to droughts and heatwaves

description: These datasets enables the assessment of sectoral water use responses during droughts, heatwaves and compound events at global, regional and local scales. File names contain the spatial scale of the analysis, water dimension, water sector and period of analysis. Datasets show the median percentile of a sectoral water use (i.e., irrigation, domestic, thermoelectric, manufacturing, livestock) during an extreme event and a normal (non-extreme event) period. Files are in comma-separated values (csv) format for easy reading. In addition, mid-step calculation results, such us identified droughts, heatwaves and compound events, are also included. File names contain the periods of evaluation and input datasets used. These resulting datasets are in NetCDF (nc) format, with a resolution of 30 arcmin (gridded) at a global scale and at a monthly time step. Moreover, input files on sectoral water demands at local and regional scales are also included. Datasets included here allow the reproducibility of the analysis of sectoral water use responses during drought, heatwaves and compound events. Scripts used can be found on GitHub (https://doi.org/10.5281/zenodo.8122407).
DOI: 10.5281/zenodo.7657303
title: swu_dhe v1: Sectoral water use responses to droughts and heatwaves

description: These datasets enables the assessment of sectoral water use responses during droughts, heatwaves and compound events at global, regional and local scales. File names contain the spatial scale of the analysis, water dimension, water sector and period of analysis. Datasets show the median percentile of a sectoral water use (i.e., irrigation, domestic, thermoelectric, manufacturing, livestock) during an extreme event and a normal (non-extreme event) period. Files are in comma-separated values (csv) format for easy reading. In addition, mid-step calculation results, such us identified droughts, heatwaves and compound events, are also included. File names contain the periods of evaluation and input datasets used. These resulting datasets are in NetCDF (nc) format, with a resolution of 30 arcmin (gridded) at a global scale and at a monthly time step. Moreover, input files on sectoral water demands at local and regional scales are also included. Datasets included here allow the reproducibility of the analysis of sectoral water use responses during drought, heatwaves and compound events. Scripts used can be found on GitHub (https://doi.org/10.5281/zenodo.8122407).
DOI: 10.48557/z5e3yg
title: Resulting files from Pocketron analysis for: Molecular Dynamics and Machine Learning Give Insights on the Flexibility/Activity Relationships in Tyrosine Kinome

description: Resulting files from the pocket analysis for each of the 43 simulated Tyrosine Kinases. The MD trajectories were analyzed through the Pocketron algorithm, implemented in BiKi Life Sciences suite. To run the analysis, the default Pocketron values for small and big probes were used, respectively 1.4 and 3.0 Å, together with a trajectory stride of 10 for frame skipping and 4 water molecules as minimum pocket volume. The deposited files can be used to visualize (via VMD) the resulting set of pockets and to plot each pocket volume and accessible surface as a function of simulation time. A reference PDB file for each Tyrosine Kinase is also provided together with the list of the atom numbers forming each pocket. The splitMatrix and mergeMatrix files report the probability of a splitting or merging event between pockets to occurr. The 43 Tyrosine Kinases of the study, in their active or/and inactive form, have been associated to the relative PDB id. Please, read the README_Tyrosine Kinome Pocketron analysis_20230712.txt file for further information on the files.
DOI: 10.48557/uaru6j
title: Resulting Clustering Medoids for: Molecular Dynamics and Machine Learning Give Insights on the Flexibility/Activity Relationships in Tyrosine Kinome

description: 10 clustering-resulting medoids for each of the 43 simulated Tyrosine Kinases. The MD trajectories were clustered through the k-medoids algorithm, implemented in BiKi Life Sciences suite. For cluster generation, the RMSD matrix of the entire segment of the A-loop including the DFG-motif was used. The collected medoids could be well used as an atlas of conformations and pockets for virtual screening and docking campaigns. Each of the 43 Tyrosine Kinases of the study, in its active or/and inactive form, has been associated to its PDB id. Please, read the README_Tyrosine Kinome clustering medoids_20230712.txt file for further information.
DOI: 10.6084/m9.figshare.23675187
title: Supplementary Material for: Early counselling to improve oral health behavior in children with major congenital heart defects – a randomized controlled trial

description: Maintaining optimal oral health behavior in children with a congenital heart defect (CHD) is important in managing the risk for caries development and infective endocarditis. The aim of this study was to evaluate the impact of an early and repeat oral health promotion intervention (OHPI) among of children with major CHD. Randomized controlled trial including 72 out of 91 children born in Finland 1.4.2017-31.10.2020 with a) major CHD potentially included in the criteria of endocarditis prophylaxis or b) any CHD with surgical repair combined with a chromosomal syndrome. A parallel passive control (C) group of 87 healthy children were recruited at birth. CHD children were randomized 1:1 to intervention (CHD-I) and control (CHD-C) groups. The OHPI included counselling by motivational interviewing, home delivered toothpaste and toothbrushes, and written information, and was provided at baseline, 6, 12, and 18 months of age to CHD-I group. The primary outcome measure at 24 months was child’s oral health behavior (toothbrushing, sugar intake, and dental care contact). The secondary outcome measures were parents’ awareness of the importance of oral health behavior, and oral health behavior as a predictor for child behavior. At 24 months, toothbrushing was performed twice a day in 20/27 (74%) among CHD-I, in 13/30 (43 %) among CHD-C (CHD-I vs CHD-C p=0.031), and in 37/50 (74 %) among healthy comparisons (CHD-C vs C p=0.009). Electric toothbrush use was 12/27 (44 %) in CHD-I, 5/30 (17 %) in CHD-C (CHD-I vs CHD-C p=0.041), and 7/50 (14%) in healthy comparison (CHD-C vs C p=0.756) children. Among CHD-I, toothbrushing and use of electric toothbrush improved between 12 months and 24 months. Sugar drink intake was more common among CHD-C (CHD-C vs C p=0.015), but comparable to CHD-I children. Parental toothbrushing predicted child toothbrushing twice a day. There were no statistical group differences in dental care contact. Children with CHD are at risk for poor oral health behavior. This could be improved with early and repeat oral health promotion parental counselling.
DOI: 10.6084/m9.figshare.23675187.v1
title: Supplementary Material for: Early counselling to improve oral health behavior in children with major congenital heart defects – a randomized controlled trial

description: Maintaining optimal oral health behavior in children with a congenital heart defect (CHD) is important in managing the risk for caries development and infective endocarditis. The aim of this study was to evaluate the impact of an early and repeat oral health promotion intervention (OHPI) among of children with major CHD. Randomized controlled trial including 72 out of 91 children born in Finland 1.4.2017-31.10.2020 with a) major CHD potentially included in the criteria of endocarditis prophylaxis or b) any CHD with surgical repair combined with a chromosomal syndrome. A parallel passive control (C) group of 87 healthy children were recruited at birth. CHD children were randomized 1:1 to intervention (CHD-I) and control (CHD-C) groups. The OHPI included counselling by motivational interviewing, home delivered toothpaste and toothbrushes, and written information, and was provided at baseline, 6, 12, and 18 months of age to CHD-I group. The primary outcome measure at 24 months was child’s oral health behavior (toothbrushing, sugar intake, and dental care contact). The secondary outcome measures were parents’ awareness of the importance of oral health behavior, and oral health behavior as a predictor for child behavior. At 24 months, toothbrushing was performed twice a day in 20/27 (74%) among CHD-I, in 13/30 (43 %) among CHD-C (CHD-I vs CHD-C p=0.031), and in 37/50 (74 %) among healthy comparisons (CHD-C vs C p=0.009). Electric toothbrush use was 12/27 (44 %) in CHD-I, 5/30 (17 %) in CHD-C (CHD-I vs CHD-C p=0.041), and 7/50 (14%) in healthy comparison (CHD-C vs C p=0.756) children. Among CHD-I, toothbrushing and use of electric toothbrush improved between 12 months and 24 months. Sugar drink intake was more common among CHD-C (CHD-C vs C p=0.015), but comparable to CHD-I children. Parental toothbrushing predicted child toothbrushing twice a day. There were no statistical group differences in dental care contact. Children with CHD are at risk for poor oral health behavior. This could be improved with early and repeat oral health promotion parental counselling.
DOI: 10.6084/m9.figshare.23667327.v1
title: Assembled_transcriptome.fasta

description: <em>Shinkaicaris leurokolos</em> is a deep-sea shrimp highly adapted to the dark, hot vent habitat, living in close proximity to the vigorously venting chimney orifice where environment factors fluctuate frequently at the seconds-minutes scale, masking any detectable tidal effects in terms of temperature and chemistry. Here we tested the presence of endogenous rhythms in this species through a free-running lab experiment over 72 hours and generated a de novo transcriptome. Transcripts with the highest expressed isoforms were kept in this transcriptome.
DOI: 10.5061/dryad.dr7sqvb0p
title: Illumina reads for TA299

description: Raw Illumina short reads (~40x) for TA299 Triticum monococcum subsp. aegilopoides.
DOI: 10.5517/ccdc.csd.cc29hrxh
title: CCDC 2130317: Experimental Crystal Structure Determination

description: Related Article: Sajid Imran, Yang Liu, Yan Li, Yu Shui, Chun-Hui Yan, Hong-Mei Sun|2023|Org.Chem.Front.|10|1361|doi:10.1039/D2QO01905A
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.8142541
title: IPERION HS database of the catalogue of services

description: The database was created in MySQL and contains all the data of the catalogue of services used in IPERION HS (GA n.871034). The catalogue is available at the following link: https://www.iperionhs.eu/catalogue/ The database is based on a specific Conceptual Data Model that uses entities with complex relationships.
DOI: 10.5281/zenodo.8142540
title: IPERION HS database of the catalogue of services

description: The database was created in MySQL and contains all the data of the catalogue of services used in IPERION HS (GA n.871034). The catalogue is available at the following link: https://www.iperionhs.eu/catalogue/ The database is based on a specific Conceptual Data Model that uses entities with complex relationships.
DOI: 10.5519/qd.dle7gdmd
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (112 records)
DOI: 10.5061/dryad.h70rxwdkq
title: Data for: Natural infochemical DMSP stimulates the transfer of microplastics from freshwater zooplankton to fish: An olfactory trap

description: Natural infochemicals may largely affect the trophic transfer of microplastics (MPs) in ecosystems but such inforchemical effect and mechanisms are poorly understood. Here, a daphnids-zebrafish freshwater microcosm was designed to elucidate whether and how an algae-derived inforchemical, dimethylsulfoniopropionate (DMSP), affects the ingestion and transfer of MPs. Daphnids fast accumulated DMSP and MPs from water, DMSP in daphnids was mainly enriched from the DMSP in water but not from MPs. DMSP did not change the MP ingestion by daphnids. A low concentration of DMSP (&lt;5 nM) increased ingestion of daphnids by zebrafish, while a high concentration of DMSP (&gt;50 nM) did not increase ingestion rates. Interestingly, the MP ingestion by zebrafish in the 0.5 and 5 nM DMSP treatments were 2.06 and 1.69 times that of the control, respectively. This suggest the DMSP at environmentally relevant concentrations may promote the trophic transfer of MPs in freshwater ecosystem via olfactory traps.
DOI: 10.5061/dryad.kprr4xh6w
title: Data for: Predation risk increases with the domain of danger in conspicuous but not cryptic artificial prey

description: Determining why some animals form groups while others remain solitary is a longstanding goal in behavioural ecology. Group formation can help mitigate predation risk through a variety of mechanisms, including risk dilution and group vigilance. The ‘selfish herd hypotheses’ proposes that prey can reduce their risk by minimizing the area around which all points in that area are closer to them than to another conspecific (i.e., by minimising their ‘domain of danger’). This hypothesis assumes that an individual’s predation risk is proportional to the size of their domain of danger, however the relationship between risk and proximity to conspecifics may depend on additional factors. Specifically, approaching conspecifics may be costly for prey that rely on crypsis because group formation increases detectability. Using model prey, we experimentally manipulated prey colouration as well as the domain of danger, then tracked their ‘survival’ under natural field conditions. We found that an individual’s predation risk increased with their domain of danger for conspicuous (red) prey, but decreased with the domain of danger in cryptic (green) prey. Our results are consistent with patterns in natural systems and indicate that the relationship between predation risk and domain of danger depends on additional factors like prey colouration.
description: See details in manuscript.
DOI: 10.6084/m9.figshare.23675253
title: Supplementary Material for: Early counselling to improve oral health behavior in children with major congenital heart defects – a randomized controlled trial

description: Maintaining optimal oral health behavior in children with a congenital heart defect (CHD) is important in managing the risk for caries development and infective endocarditis. The aim of this study was to evaluate the impact of an early and repeat oral health promotion intervention (OHPI) among of children with major CHD. Randomized controlled trial including 72 out of 91 children born in Finland 1.4.2017-31.10.2020 with a) major CHD potentially included in the criteria of endocarditis prophylaxis or b) any CHD with surgical repair combined with a chromosomal syndrome. A parallel passive control (C) group of 87 healthy children were recruited at birth. CHD children were randomized 1:1 to intervention (CHD-I) and control (CHD-C) groups. The OHPI included counselling by motivational interviewing, home delivered toothpaste and toothbrushes, and written information, and was provided at baseline, 6, 12, and 18 months of age to CHD-I group. The primary outcome measure at 24 months was child’s oral health behavior (toothbrushing, sugar intake, and dental care contact). The secondary outcome measures were parents’ awareness of the importance of oral health behavior, and oral health behavior as a predictor for child behavior. At 24 months, toothbrushing was performed twice a day in 20/27 (74%) among CHD-I, in 13/30 (43 %) among CHD-C (CHD-I vs CHD-C p=0.031), and in 37/50 (74 %) among healthy comparisons (CHD-C vs C p=0.009). Electric toothbrush use was 12/27 (44 %) in CHD-I, 5/30 (17 %) in CHD-C (CHD-I vs CHD-C p=0.041), and 7/50 (14%) in healthy comparison (CHD-C vs C p=0.756) children. Among CHD-I, toothbrushing and use of electric toothbrush improved between 12 months and 24 months. Sugar drink intake was more common among CHD-C (CHD-C vs C p=0.015), but comparable to CHD-I children. Parental toothbrushing predicted child toothbrushing twice a day. There were no statistical group differences in dental care contact. Children with CHD are at risk for poor oral health behavior. This could be improved with early and repeat oral health promotion parental counselling.