cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2h6p9q
title: CCDC 2300333: Experimental Crystal Structure Determination

description: Related Article: Rui Ma|2023|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.cc2h9dlt
title: CCDC 2302946: Experimental Crystal Structure Determination

description: Related Article: David Biskup, Gregor Schnakenburg, Arturo Espinosa Ferao, Rainer Streubel|2024|Dalton Trans.|53|2517|doi:10.1039/D3DT03869F
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.cc2h9dmv
title: CCDC 2302947: Experimental Crystal Structure Determination

description: Related Article: David Biskup, Gregor Schnakenburg, Arturo Espinosa Ferao, Rainer Streubel|2024|Dalton Trans.|53|2517|doi:10.1039/D3DT03869F
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.cc2h9dnw
title: CCDC 2302948: Experimental Crystal Structure Determination

description: Related Article: David Biskup, Gregor Schnakenburg, Arturo Espinosa Ferao, Rainer Streubel|2024|Dalton Trans.|53|2517|doi:10.1039/D3DT03869F
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: 10.17630/a4fd6eb0-34e3-4999-8dd3-b407a5720146
title: FTF-CRTT (dataset)
DOI: 10.5281/zenodo.10618977
title: Dependence on laser intensity of the number-weighted angular distribution of Compton-scattered photon beams

description: Data required to reproduce the figures and analysis presented in K. Fleck, T. Blackburn, E. Gerstmayr, M. Bruschi, P. Grutta, M. Morandin and G. Sarri, "Dependence on laser intensity of the number-weighted angular distribution of Compton-scattered photon beams"
DOI: 10.57745/a1laq4
title: Supplementary Figure S3.pdf

description: :unav
DOI: 10.57745/awbykq
title: Supplementary Figure S2.pdf

description: :unav
DOI: 10.57745/bpezxz
title: Supplementary Table S4.tab

description: :unav
DOI: 10.57745/qk8v0z
title: Supplementary Table S3.tab

description: :unav
DOI: 10.57745/ah8ydr
title: Supplementary Table S6.xlsx

description: :unav
DOI: 10.57745/k6ap6b
title: Supplementary Table S7.xlsx

description: :unav
DOI: 10.57745/l3hbjb
title: Supplementary Figure S1.pdf

description: Supplementary Figure S1. Cloning strategy for LbmRacGAP1 and LhRacGAP1.
DOI: 10.57745/odzhaa
title: Supplementary Table S5.xlsx

description: :unav
DOI: 10.57745/t5lo89
title: Supplementary Figure S4.pdf

description: :unav
DOI: 10.57745/5xv9c8
title: Supplementary Table S1.pdf

description: :unav
DOI: 10.57745/eqt2mu
title: Supplementary Table S2.pdf

description: :unav
DOI: 10.57745/ibeg5y
title: Supplementary Figure S3.pdf

description: Supplementary Figure S3. Multiple alignment of L. boulardi ISm venom RhoGAPs.
DOI: 10.57745/plktxg
title: Supplementary_dataset_1.gz

description: This archive contains the alignements obtained before and after using Trimal for each of the phylogenetic analyses performed.
DOI: 10.57745/s9bxvr
title: Supplementary_dataset_1.gz

description: This archive contains the alignments obtained before and after using Trimal for each of the phylogenetic analysis performed.
DOI: 10.57745/bgaujr
title: Supplementary Figure S6.pdf

description: Supplementary Figure S6. Relative solvent accessibility of amino acid residues for LbmGAP (A) and VcGAP (B).
DOI: 10.57745/dkaksk
title: Supplementary Figure S5.pdf

description: Supplementary Figure S5. Pairwise sequence identity at the nucleotide and amino acid level of the RhoGAP domain for Leptopilina venom RhoGAPs (A) and V. canescens calyx RhoGAPs (B).
DOI: 10.57745/owxb7s
title: Supplementary Figure S2.pdf

description: Supplementary Figure S2. Protein domain organization of Leptopilina venom RhoGAPs and RacGAP1.
DOI: 10.57745/suibme
title: Supplementary Table S1.pdf

description: Supplementary Table S1. NCBI accession numbers for ITS2 sequences used to construct the phylogeny of selected members of the Cynipoidea superfamily.
DOI: 10.57745/t7fqug
title: Supplementary Figure S4.pdf

description: Supplementary Figure S4. Protein domain organization of V. canescens calyx RhoGAPs and RacGAP1.
DOI: 10.57745/bwvww3
title: Supplementary Table S3.tab

description: Supplementary Table S3. Genomic organisation of Leptopilina RacGAP1 and venom RhoGAPs.
DOI: 10.57745/hv3zuc
title: Supplementary Table S6.tab

description: Supplementary Table S6. Results of prediction of nuclear localization and/or presence of nuclear localization signals for Venturia RacGAP1 and calyx RhoGAPs.
DOI: 10.57745/pfvcnr
title: Supplementary Table S2.pdf

description: :unav
DOI: 10.57745/svobp0
title: Supplementary Table S5.tab

description: Supplementary Table S5. Results of DeepLoc2 prediction of subcellular localization and sorting signals for Venturia RacGAP1 and calyx RhoGAPs.
DOI: 10.57745/x3laac
title: Supplementary Table S4.tab

description: Supplementary Table S4. Number of peptides obtained by Mascot for the Venturia RhoGAPs, using MS/MS data obtained from purified V. canescens VLPs.
DOI: 10.57745/cf34df
title: Supplementary_dataset_2.gz

description: Supplementary dataset 2 contains the results of Exonerate searches with the exon(s) preceding the RhoGAP domain of Leptopilina venom RhoGAPs in the genomes of L. boulardi ISm and ISy, L. clavipes and L. heterotoma.
DOI: 10.57745/iy3m45
title: Supplementary_dataset_1.gz

description: Supplementary dataset 1 contains the alignments obtained before and after using Trimal for each phylogenetic analysis performed.
DOI: 10.57745/l7h4vp
title: Supplementary Figure S5.pdf

description: Supplementary Figure S5. Pairwise sequence identity at the nucleotide and amino acid level of the RhoGAP domain for Leptopilina venom RhoGAPs (A) and V. canescens calyx RhoGAPs (B).
DOI: 10.57745/n6njka
title: Supplementary Table S8.tab

description: Supplementary Table S8. Identification of sites under positive and negative selection for L. boulardi venom RhoGAPs and V. canescens calyx RhoGAPs.
DOI: 10.57745/ybb2ss
title: Supplementary Table S7.tab

description: Supplementary Table S7. Genomic organization of Venturia RacGAP1 and calyx RhoGAPs.
DOI: 10.57745/7kyuxc
title: Supplementary Figure S5.pdf

description: Supplementary Figure S5. Protein domain organization of V. canescens calyx RhoGAPs and RacGAP1.
DOI: 10.57745/99l3mx
title: Supplementary Figure S6.pdf

description: Supplementary Figure S6. Pairwise sequence identity at the nucleotide and amino acid level of the RhoGAP domain for Leptopilina venom RhoGAPs (A) and V. canescens calyx RhoGAPs (B).
DOI: 10.57745/ffrssf
title: Supplementary figure S4.pdf

description: Supplementary Figure S4. Maximum-likelihood phylogenetic analysis of Leptopilina venom RhoGAPs and V. canescens calyx RhoGAPs along with N. vitripennis classical RhoGAPs.
DOI: 10.57745/ybolgx
title: Supplementary Figure S7.pdf

description: Supplementary Figure S7. Relative solvent accessibility of amino acid residues for LbmGAP (A) and VcGAP (B).
DOI: 10.15468/664das
title: 1967 - 1992 P.E. Gibbs Plymouth Sound and South Coast Devon and Cornwall Polychaete Records

description: Polychaete records for the Plymouth Sound area collected by Peter E. Gibbs from 1967 onwards. The majority of the sightings are within the late 1960s and 1970s but records continue until the early 1990s. The data has been transcribed from record cards into a spreadsheet format. Information includes detailed observations, dates and location names.
DOI: 10.5255/ukda-sn-856911
title: Survey of Disposable Diaper Use Among Children’s Carers Attending Health Facilities in Greater Accra, Ghana and Kisumu, Kenya, 2023

description: This data set comprises the responses to a cross-sectional questionnaire survey of children's carers attending child health clinics at health facilities in Greater Accra, Ghana and Kisumu, Kenya. The study was designed to identify differences in disposable diaper use by socio-economic status and entailed interviews with 200 children's carers attending four purposively selected health facilities in each city. Parents or carers of children aged up to 36 months attending clinics were first asked about their age, level of education and socio-economic characteristics, enabling patterns of nappy use to be explored across different population groups. The questionnaire also covered the gender and month of birth of children to facilitate assessment of the age of toilet training. The interviewer then asked about the age of the child, the way that the child's stools are disposed of, frequency of diaper use, brands used, and diaper disposal for the specific child attending the clinic.
DOI: 10.5281/zenodo.10623982
title: Ipilimumab and nivolumab first-line therapy in BRAF-mutated metastatic melanoma patients is protective for the occurrence of new brain metastasis.

description: 5-years OS, TPFS, BMFS, SABM and biomakers of SECOMBIT trial.
DOI: 10.5281/zenodo.10623983
title: Ipilimumab and nivolumab first-line therapy in BRAF-mutated metastatic melanoma patients is protective for the occurrence of new brain metastasis.

description: 5-years OS, TPFS, BMFS, SABM and biomakers of SECOMBIT trial.
DOI: 10.5281/zenodo.6620530
title: AgrImOnIA: Open Access dataset correlating livestock and air quality in the Lombardy region, Italy

description: OBSOLETE VERSION - This is not the last update of the dataset, we strongly suggest to use the last version
The AgrImOnIA dataset is a comprehensive dataset relating air quality and livestock (expressed as the density of bovines and swine bred) along with weather and other variables. The AgrImOnIA Dataset represents the first step of the AgrImOnIA project. The purpose of this data set is to give the opportunity to assess the impact of agriculture on air quality in Lombardy through statistical techniques capable of highlighting the relationship between the livestock sector and air pollutants concentrations.
This dataset is a collection of estimated daily values for a range of measurements of different dimensions as: air quality, meteorology, emissions, livestock animals and land use. Data are related to Lombardy and the surrounding area for 2016-2021, inclusive. The surrounding area is obtained by applying a 0.3° buffer on Lombardy borders.
The data uses several aggregation and interpolation methods to estimate the measurement for all days.
For more details see the paper:
A. Fassò, J. Rodeschini, A. Fusta Moro, Q. Shaboviq, P. Maranzano, M. Cameletti, F. Finazzi, N. Golini, R. Ignaccolo, and P. Otto (2022)  Agrimonia: a dataset on livestock, meteorology and air quality in the Lombardy region, Italy. Arxiv preprint, arxiv:2210.10604. (click here).
The files in the folder are:
Agrimonia_Dataset.csv(.Rdata,.mat) which is built by joining the daily time series related to the AQ, WE, EM, LI and LA variables. In order to simplify access to variables in the Agrimonia dataset, the variable name starts with the dimension of the variable, i.e., the name of the variables related to the AQ dimension start with 'AQ_'. This file is archived also in the and format for MATLAB and R software, respectively. 
Metadata_Agrimonia.csv which provides further information for the sources used, variables imported, transformations applied, and about the Agrimonia variables.
Metadata_AQ_imputation_uncertainty.csv which contains the daily uncertainty estimate of the imputed observation for the AQ to mitigate missing data in the hourly time series.  
Metadata_LA_CORINE_labels.csv which contains the label and the description associated with the CLC class.  
Metadata_monitoring_network_registry.csv which contains all details about the AQ monitoring station used to build the dataset. Information about pollutant stations includes: station type, municipality code, environment type, altitude, pollutants sampled and other information. Each row represents a single sensor.
Metadata_LA_SIARL_labels.csv which contains the label and the description associated with the SIARL class.
The dataset can be reproduced using the code available at the GitHub page: https://github.com/AgrImOnIA-project/AgrImOnIA_Data
DOI: 10.3886/e182681
title: Data and Code for: Mobility and congestion in urban India

description: Replicates empirical results from "Mobility and Congestion in Urban India". Article abstract: We develop a methodology to estimate robust city-level vehicular speed indices, exactly decomposable into uncongested speed and congestion. We apply it to 180 Indian cities using 57 million simulated trips measured by a web mapping service. We verify the reliability of our simulated trips using a number of alternative data sources, including data on actual trips. We find wide variation in speed across cities that is driven more by differences in uncongested speed than congestion. Denser and more populated cities are slower, only in part because of congestion. Urban economic development is correlated with faster speed despite worse congestion.<br>
DOI: 10.3886/e182681v1-145884
title: Data and Code for: Mobility and congestion in urban India

description: Replicates empirical results from "Mobility and Congestion in Urban India". Article abstract: We develop a methodology to estimate robust city-level vehicular speed indices, exactly decomposable into uncongested speed and congestion. We apply it to 180 Indian cities using 57 million simulated trips measured by a web mapping service. We verify the reliability of our simulated trips using a number of alternative data sources, including data on actual trips. We find wide variation in speed across cities that is driven more by differences in uncongested speed than congestion. Denser and more populated cities are slower, only in part because of congestion. Urban economic development is correlated with faster speed despite worse congestion.<br>
DOI: 10.23729/b7f05f86-1f29-4c3b-a609-6596dbcf46c3
title: Model data for research article "Description and Evaluation of a Secondary Organic Aerosol and New Particle Formation Scheme within TM5-MP v1.2"

description: Model data for article detailing the new secondary organic aerosol and new particle formation scheme in TM5-MP model submitted to Geoscientific Model Development.

Models simulation data is provided for the analysed year 2010 only.

NEWSOA simulation (newsoa-ri) is using the new soa scheme and new particle formation schemes binary homogeneous water sulfuric acid nucleation (Vehkamäki et al 2002) and organic new particle formation (Riccobono et al. 2014). OLDSOA simulation (oldsoa-bhn) is using the old soa scheme and new particle formation scheme binary homogeneous water sulfuric acid nucleation (Vehkamäki et al 2002).

Both simulation data folders include hourly data for surface layer (lev1.nc) and 2D data (lev0.nc), and monthly 3D data for all fields (mm.nc):

newsoa-ri general_TM5_newsoa-ri_2010.lev0.nc all 2D variables hourly data from the model general_TM5_newsoa-ri_2010.lev1.nc all 3D variables, but only surface layer hourly data from the model general_TM5_newsoa-ri_2010.mm.nc all 3D variables, monthly mean data from the model

oldsoa-bhn general_TM5_oldsoa-bhn_2010.lev0.nc all 2D variables hourly data from the model general_TM5_oldsoa-bhn_2010.lev1.nc all 3D variables, but only surface layer hourly data from the model general_TM5_oldsoa-bhn_2010.mm.nc all 3D variables, monthly mean data from the model

Third simulation data folder includes hourly data for surface layer (lev1.nc) and monthly 3D data for all fields (mm.nc):
general_TM5_oldsoa-bhn.megan2_2010.lev1.nc all 3D variables, but only surface layer hourly data from the model general_TM5_oldsoa-bhn-megan2_2010.mm.nc all 3D variables, monthly mean data from the model. Furthermore, MEGAN2-2010-SOA.nc includes new dataset for the third simulation including the SOA production in similar format as in the normal OLDSOA scheme.

Additionally fx-data folder includes static fields needed for analysis: ec-ei-an0tr6-sfc-glb100x100-0000-oro.nc grid cellarea for 1x1 grid ec-ei-an0tr6-sfc-glb100x100-0000-lsm.nc land sea mask for 1x1 grid griddef_62.nc gridboxarea for 3x2 grid SOA.nc prescribed SOA production for old scheme (in Tg(C)/gridbox, unit in file is wrong)
DOI: 10.6084/m9.figshare.25144469.v1
title: Experimental data and Theoretical Alignment Frame PAD notebooks

description: <b>Unaligned_XS_and_Beta2</b>: Notebook for exporting lab-frame PADs from ePolyScat output files<b>OCS_orbs8-11_AFBLMs_from_VM-ADMs</b>: Notebook for calculating and exporting energy- and time-sliced alignment frame PADs. Requires ePolyScat output files and alignment distribution moment vectors as inputs<b>OCS_scan_betas</b>: Alignment-frame photoelectron yields and angular distribution parameters following ionization of OCS at 23.6 eV
DOI: 10.6084/m9.figshare.22578639
title: Long-term stability in obsessive thoughts and compulsive behavior in the general population: a longitudinal study in Sweden

description: Obsessive thoughts and compulsive behavior and their related disorder Obsessive-Compulsive Disorder (OCD) commonly occur in the general population. Clinical populations indicate a high level of stability, although there are few longitudinal studies in the general population. The recommended drug treatments are SSRIs/TCAs. However, there are few long-term follow up studies. The goal of this study was to 1) examine the occurrence and stability of obsessions, compulsions, and OCD in a longitudinal population-based survey, 2) investigate the use of SSRI and TCA and the potential effect on symptoms. A ten-year longitudinal general population in Stockholm was used (2000 and 2010, <i>n</i> = 5650) Obsessional washing, checking, intrusive unpleasant thoughts and the level of suffering due to these symptoms were measured by self-report. Information on use of SSRIs and TCAs by these individuals was obtained from registers. Stability was examined using contingency tables and multinomial logistic regression. At baseline, 2.1, 11.7 and 11.9% reported obsessional washing, checking and intrusive thoughts. A total of 5% reported considerable suffering from these (i.e. OCD). Based on psychiatric interview only 0.4% had OCD. Ten years later a quarter of OCD cases were still classified as having OCD, one quarter reported any obsessive or compulsive symptom and half were classified as symptom-free. Treatment receipt was low and controlling for medication did not change the stability. Obsessive thoughts and compulsive behavior are common and stable. While this group is potentially undertreated, there is no indication that those treated display a different pattern of recovery.
DOI: 10.6084/m9.figshare.14190014.v1
title: Additional file 2 of Multi-omics analysis of genomics, epigenomics and transcriptomics for molecular subtypes and core genes for lung adenocarcinoma

description: Additional file 2: Supplementary Table 2. A total of 6867 methylation-related genes for LUAD.
DOI: 10.6084/m9.figshare.7898588
title: Left Ventricular Aneurysm Repair: Off-pump Linear Plication versus On-pump Patch Plasty

description: Abstract Objective: The study aimed to compare the clinical outcomes of simplified linear plication and classic patch plasty in patients with left ventricular aneurysm (LVA). Methods: We retrospectively reviewed 282 patients undergoing LVA repair between 2006 and 2016. After propensity score matching, 45 pairs of patients receiving LVA surgery were divided into either a patch group (on-pump endoventricular patch plasty) or a plication group (off-pump linear plication). Then, their early surgical outcomes and long-term survival were compared in two matched groups. Results: The heart function improvement at discharge was similar in the two matched groups, while patients in the patch group more commonly suffered from low cardiac output syndrome (P=0.042) with higher proportion of intra-aortic balloon pumping assistance (P=0.034) than patients in the plication group. Compared with patients in the patch group, the patients in the plication group had shorter recovery times, regarding to mechanical ventilation, intensive care unit stay, and hospital stay (P&lt;0.001, P&lt;0.001, and P=0.001, respectively). No significant difference was found in the long-term survival (P=0.62). Conclusions: Off-pump linear plication presented acceptable results in terms of early outcomes and long-term survival. For high-risk patients, the simplified LVA repair technique may be an option.
DOI: 10.6084/m9.figshare.7898588.v1
title: Left Ventricular Aneurysm Repair: Off-pump Linear Plication versus On-pump Patch Plasty

description: Abstract Objective: The study aimed to compare the clinical outcomes of simplified linear plication and classic patch plasty in patients with left ventricular aneurysm (LVA). Methods: We retrospectively reviewed 282 patients undergoing LVA repair between 2006 and 2016. After propensity score matching, 45 pairs of patients receiving LVA surgery were divided into either a patch group (on-pump endoventricular patch plasty) or a plication group (off-pump linear plication). Then, their early surgical outcomes and long-term survival were compared in two matched groups. Results: The heart function improvement at discharge was similar in the two matched groups, while patients in the patch group more commonly suffered from low cardiac output syndrome (P=0.042) with higher proportion of intra-aortic balloon pumping assistance (P=0.034) than patients in the plication group. Compared with patients in the patch group, the patients in the plication group had shorter recovery times, regarding to mechanical ventilation, intensive care unit stay, and hospital stay (P&lt;0.001, P&lt;0.001, and P=0.001, respectively). No significant difference was found in the long-term survival (P=0.62). Conclusions: Off-pump linear plication presented acceptable results in terms of early outcomes and long-term survival. For high-risk patients, the simplified LVA repair technique may be an option.
DOI: 10.6084/m9.figshare.14190011
title: Additional file 1 of Multi-omics analysis of genomics, epigenomics and transcriptomics for molecular subtypes and core genes for lung adenocarcinoma

description: Additional file 1: Supplementary Table 1. A total of 11,171 CNV-related genes for LUAD.
DOI: 10.6084/m9.figshare.14190011.v1
title: Additional file 1 of Multi-omics analysis of genomics, epigenomics and transcriptomics for molecular subtypes and core genes for lung adenocarcinoma

description: Additional file 1: Supplementary Table 1. A total of 11,171 CNV-related genes for LUAD.
DOI: 10.6084/m9.figshare.14190014
title: Additional file 2 of Multi-omics analysis of genomics, epigenomics and transcriptomics for molecular subtypes and core genes for lung adenocarcinoma

description: Additional file 2: Supplementary Table 2. A total of 6867 methylation-related genes for LUAD.
DOI: 10.6084/m9.figshare.13141441
title: Additional file 1 of Compromised browning plasticity of primary subcutaneous adipocytes derived from overweight Chinese adults

description: Additional file 1: Table S1. Clinical infromation of EBf2 gene analysis group andprimary adipoycte culture group.