cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc27kjn0
title: CCDC 2072432: Experimental Crystal Structure Determination

description: Related Article: Christin Kirst, Nader A. Danaf, Fabian Knechtel, Tim Arczynski, Peter Mayer, Don C. Lamb, Konstantin L. Karaghiosoff|2021|J.Mater.Chem.C|9|13366|doi:10.1039/D1TC02634H
DOI: 10.5517/ccdc.csd.cc27sbhw
title: CCDC 2078968: Experimental Crystal Structure Determination

description: Related Article: Mario Falsaperna, Gavin B. G. Stenning, Ivan da Silva, Paul J. Saines|2021|J.Mater.Chem.C|9|13209|doi:10.1039/D1TC01831K
DOI: 10.5517/ccdc.csd.cc27sbjx
title: CCDC 2078969: Experimental Crystal Structure Determination

description: Related Article: Mario Falsaperna, Gavin B. G. Stenning, Ivan da Silva, Paul J. Saines|2021|J.Mater.Chem.C|9|13209|doi:10.1039/D1TC01831K
DOI: 10.5517/ccdc.csd.cc280tbg
title: CCDC 2086155: Experimental Crystal Structure Determination

description: Related Article: Zhijin Xu, Huajie Wu, Dong Li, Wentao Wu, Lina Li, Junhua Luo|2021|J.Mater.Chem.C|9|13157|doi:10.1039/D1TC03412J
DOI: 10.5517/ccdc.csd.cc28306m
title: CCDC 2088259: Experimental Crystal Structure Determination

description: Related Article: Qianqian Xu, Jiang Wu, Zuojia Li, Zhengkai Yin, Jie Li, Xiaochang Li, Kazunori Ueno|2021|J.Mater.Chem.C|9|13247|doi:10.1039/D1TC02614C
DOI: 10.5517/ccdc.csd.cc28h1nh
title: CCDC 2099836: Experimental Crystal Structure Determination

description: Related Article: Izar Capel Berdiell, Daniel J. Davies, Jack Woodworth, Rafal Kulmaczewski, Oscar Cespedes, Malcolm A. Halcrow|2021|Inorg.Chem.|60|14988|doi:10.1021/acs.inorgchem.1c02404
DOI: 10.25326/67
title: Near-real time daily IASI/Metop-C ULB-LATMOS ammonia (NH3) L2 product (total column)

description: The near-real time daily IASI/Metop-C ammonia (NH3) total column dataset (ANNI-NH3-v3) includes the results of a flexible and robust NH3 retrieval algorithm from measurements of the Infrared Atmospheric Sounding Interferometer (IASI). The method is based on the calculation of a hyperspectral range index (HRI) and subsequent conversion to NH3 columns via a neural network. With this method: (1) complete temperature and humidity vertical profiles can be accounted for, (2) third‐party NH3 vertical profile information can be used, and (3) a full measurement uncertainty characterization is provided. Separate neural networks were trained for land and sea observations. The ANNI-v3 IASI product builds on the heritage of version 1 (Witburn et al., 2016), version 2 [(Van Damme et al., 2017)(https://amt.copernicus.org/articles/10/4905/2017/]) and recent improvements in the NN retrieval setup introduced in Franco et al. (2018) for the retrieval of volatiles organic compounds (VOCs). Recommendations for post-filtering the data and for averaging data in time or space are formulated in Van Damme et al. (2017). ANNI-NH3-v3 relies on near real time meteorological parameters provided by Eumetsat (L2 data from IASI PPF). The dataset is available on a global scale from September 2019 till June 2020.
DOI: 10.6084/m9.figshare.16759573
title: Datasets for identification of hydrological processes in Jinhua River basin, China

description: A total of 34 flood events in Jinhua River basin of China were collected from 2010 to 2015.
DOI: 10.6084/m9.figshare.16759573.v1
title: Datasets for identification of hydrological processes in Jinhua River basin, China

description: A total of 34 flood events in Jinhua River basin of China were collected from 2010 to 2015.
DOI: 10.6084/m9.figshare.16759309.v2
title: Effect of microencapsulation on the quality attributes of fish oil

description: This study was to examine the effect of different concentration of sodium alginate on the quality attributes of fish oil and different concentration of Vitamin E on the quality attributes of fish oil during storage. On the basis of result obtained, fish oil microcapsules prepared using 5% of sodium alginate was found to be most suitable for microcapsule preparation. Furthermore, from the results of sensory, biochemical, physical and proximate analysis of experiment-2, it can be stated that fish oil microcapsules prepared with 5% of sodium alginate and 1ml of Vitamin E was found stable shelf-life for 60 days at room temperature in glass bottle.
DOI: 10.5281/zenodo.5553969
title: Assessment of Non-Invasive Blood Pressure Prediction from PPG and rPPG Signals Using Deep Learning

description: This dataset is a subset of the MIMIC-III dataset used for non-invasive blood pressure prediction. PPG and ABP data were divided into windows of 7s length (875 data points). Systolic and diastolic blood pressure values were derived from the ABP windows. Each sample of the dataset consists of a PPG signal and blood pressure values as well as a unique subject identifier. The file consists of three datasets: PPG: PPG data of size 905,400 x 875 label: BP data of size 905,400 x 2 subject_idx: subject affiliation of each sample (size 905,400 x 1)
DOI: 10.5281/zenodo.4916905
title: Data and model code for study: Mechanistic modelling of marsh seedling establishment provides a positive outlook for coastal wetland restoration under global climate change

description: This folder will include data and model code for study: Mechanistic modelling of marsh seedling establishment provides a positive outlook for coastal wetland restoration under global climate change.
DOI: 10.5281/zenodo.4916904
title: Data and model code for study: Mechanistic modelling of marsh seedling establishment provides a positive outlook for coastal wetland restoration under global climate change

description: This folder will include data and model code for study: Mechanistic modelling of marsh seedling establishment provides a positive outlook for coastal wetland restoration under global climate change.
DOI: 10.48370/ofd/6beoa3
title: Melampsoridium betulinum Klebahn, 740

description: Fungarium Micromycetes
DOI: 10.48370/ofd/8jtyom
title: Melampsoridium betulinum Klebahn, 745

description: Fungarium Micromycetes
DOI: 10.5519/qd.hrlhjmnc
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (2376 records)
DOI: 10.6084/m9.figshare.15043005
title: Significant_mQTLs_in_the_associated_loci.tsv

description: Significant methylation quantitative trait loci (mQTL) in the region previously associated with the chronic Chagas cardiomyopathy (chr11:63814813-65814813), after multiple testing cocrrection (False Discovery Rate [FDR]&lt;0.05).This file has the following columns: CpG_ID (identifier for each DNA methylation site), SNP_CHR:POSITION (chromosomic position of the single nucleotide polymorphism), PVALUE (p-value of the integration test of the genomic and methylation data), FDR (False Discovery Rate), BETA (effect of the mQTL under study), SE (standard error), R2 (SNP-DNA site correlation value).<br>
DOI: 10.6084/m9.figshare.15043005.v1
title: Significant_mQTLs_in_the_associated_loci.tsv

description: Significant methylation quantitative trait loci (mQTL) in the region previously associated with the chronic Chagas cardiomyopathy (chr11:63814813-65814813), after multiple testing cocrrection (False Discovery Rate [FDR]&lt;0.05).This file has the following columns: CpG_ID (identifier for each DNA methylation site), SNP_CHR:POSITION (chromosomic position of the single nucleotide polymorphism), PVALUE (p-value of the integration test of the genomic and methylation data), FDR (False Discovery Rate), BETA (effect of the mQTL under study), SE (standard error), R2 (SNP-DNA site correlation value).<br>
DOI: 10.6084/m9.figshare.15043008
title: mQTLs_with_differential_methylation_in_CCC_and_asymptomatics.tsv

description: Significant methylation quantitative trait loci (mQTL) in the associated region that also produce significant (p-value&lt;0.05) methylation changes among chronic Chagas cardiomyopathy patients and asymtomatic individuals. This file has five columns: CpG_ID (identificator for each DNA methylation site), SNP_CHR:POSITION (chromosomic position of the single nucleotide polymorphism), Differential_Methylation_Pvalue (p-value of the differentail methylation among chronic Chagas cardiomyopathy patients and asymptomatic individuals), PVALUE (p-value of the integration test of the genomic and methylation data), FDR (integration False Discovery Rate), BETA (effect of the mQTL under study), SE (integration standard error), R2 (SNP-DNA site correlation value).
DOI: 10.6084/m9.figshare.15043008.v1
title: mQTLs_with_differential_methylation_in_CCC_and_asymptomatics.tsv

description: Significant methylation quantitative trait loci (mQTL) in the associated region that also produce significant (p-value&lt;0.05) methylation changes among chronic Chagas cardiomyopathy patients and asymtomatic individuals. This file has five columns: CpG_ID (identificator for each DNA methylation site), SNP_CHR:POSITION (chromosomic position of the single nucleotide polymorphism), Differential_Methylation_Pvalue (p-value of the differentail methylation among chronic Chagas cardiomyopathy patients and asymptomatic individuals), PVALUE (p-value of the integration test of the genomic and methylation data), FDR (integration False Discovery Rate), BETA (effect of the mQTL under study), SE (integration standard error), R2 (SNP-DNA site correlation value).
DOI: 10.48370/ofd/ugakec
title: Melampsoridium betulinum Klebahn, 786

description: Fungarium Micromycetes
DOI: 10.48370/ofd/rm0y4x
title: Melampsoridium betulinum Klebahn, 848

description: Fungarium Micromycetes
DOI: 10.5281/zenodo.5554288
title: Protocols for marker-free gene knock-out and knock-down in Kluyveromyces marxianus using CRISPR/Cas9

description: This file contains the CRISPR targets predicted for every gene in the NBRC1777 genome, you can use it to design primers to target the gene you are interested in. There is one folder per gene. The 'sgRNAcas9_report' file contains a list of all the predicted sites, their position in the gene, and other extra information (e.g. GC content, off targets, etc..). The 'TargetSeq.fa' file contains the sequence of the gene targeted. For more information see http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0100448
DOI: 10.5281/zenodo.5554287
title: Protocols for marker-free gene knock-out and knock-down in Kluyveromyces marxianus using CRISPR/Cas9

description: This file contains the CRISPR targets predicted for every gene in the NBRC1777 genome, you can use it to design primers to target the gene you are interested in. There is one folder per gene. The 'sgRNAcas9_report' file contains a list of all the predicted sites, their position in the gene, and other extra information (e.g. GC content, off targets, etc..). The 'TargetSeq.fa' file contains the sequence of the gene targeted. For more information see http://journals.plos.org/plosone/article?id=10.1371/journal.pone.0100448
DOI: 10.48370/ofd/koqama
title: Melampsoridium betulinum Klebahn, 875

description: Fungarium Micromycetes
DOI: 10.5517/ccdc.csd.cc26mw4w
title: CCDC 2044888: Experimental Crystal Structure Determination

description: Related Article: Marie Peng, Jinqiang Lin, Wei Lu, Thierry Roisnel, Véronique Guerchais, Henri Doucet, Jean-François Soulé|2021|Chem.-Eur.J.|27|12552|doi:10.1002/chem.202102006
DOI: 10.5517/ccdc.csd.cc26mw5x
title: CCDC 2044889: Experimental Crystal Structure Determination

description: Related Article: Marie Peng, Jinqiang Lin, Wei Lu, Thierry Roisnel, Véronique Guerchais, Henri Doucet, Jean-François Soulé|2021|Chem.-Eur.J.|27|12552|doi:10.1002/chem.202102006
DOI: 10.5517/ccdc.csd.cc26mw6y
title: CCDC 2044890: Experimental Crystal Structure Determination

description: Related Article: Marie Peng, Jinqiang Lin, Wei Lu, Thierry Roisnel, Véronique Guerchais, Henri Doucet, Jean-François Soulé|2021|Chem.-Eur.J.|27|12552|doi:10.1002/chem.202102006
DOI: 10.5517/ccdc.csd.cc26vspk
title: CCDC 2051539: Experimental Crystal Structure Determination

description: Related Article: Min Gao, Yanshu Luo, Qianlan Xu, Yukun Zhao, Xiangnan Gong, Yuanzhi Xia, Lin Hu|2021|Angew.Chem.,Int.Ed.|60|19813|doi:10.1002/anie.202105282
DOI: 10.5517/ccdc.csd.cc28h1pj
title: CCDC 2099837: Experimental Crystal Structure Determination

description: Related Article: Izar Capel Berdiell, Daniel J. Davies, Jack Woodworth, Rafal Kulmaczewski, Oscar Cespedes, Malcolm A. Halcrow|2021|Inorg.Chem.|60|14988|doi:10.1021/acs.inorgchem.1c02404
DOI: 10.5517/ccdc.csd.cc28h1qk
title: CCDC 2099838: Experimental Crystal Structure Determination

description: Related Article: Izar Capel Berdiell, Daniel J. Davies, Jack Woodworth, Rafal Kulmaczewski, Oscar Cespedes, Malcolm A. Halcrow|2021|Inorg.Chem.|60|14988|doi:10.1021/acs.inorgchem.1c02404
DOI: 10.5517/ccdc.csd.cc28h1rl
title: CCDC 2099839: Experimental Crystal Structure Determination

description: Related Article: Izar Capel Berdiell, Daniel J. Davies, Jack Woodworth, Rafal Kulmaczewski, Oscar Cespedes, Malcolm A. Halcrow|2021|Inorg.Chem.|60|14988|doi:10.1021/acs.inorgchem.1c02404
DOI: 10.5517/ccdc.csd.cc28h1tn
title: CCDC 2099841: Experimental Crystal Structure Determination

description: Related Article: Izar Capel Berdiell, Daniel J. Davies, Jack Woodworth, Rafal Kulmaczewski, Oscar Cespedes, Malcolm A. Halcrow|2021|Inorg.Chem.|60|14988|doi:10.1021/acs.inorgchem.1c02404
DOI: 10.5517/ccdc.csd.cc28h1vp
title: CCDC 2099842: Experimental Crystal Structure Determination

description: Related Article: Izar Capel Berdiell, Daniel J. Davies, Jack Woodworth, Rafal Kulmaczewski, Oscar Cespedes, Malcolm A. Halcrow|2021|Inorg.Chem.|60|14988|doi:10.1021/acs.inorgchem.1c02404
DOI: 10.5517/ccdc.csd.cc28h1wq
title: CCDC 2099843: Experimental Crystal Structure Determination

description: Related Article: Izar Capel Berdiell, Daniel J. Davies, Jack Woodworth, Rafal Kulmaczewski, Oscar Cespedes, Malcolm A. Halcrow|2021|Inorg.Chem.|60|14988|doi:10.1021/acs.inorgchem.1c02404
DOI: 10.5517/ccdc.csd.cc28h1xr
title: CCDC 2099844: Experimental Crystal Structure Determination

description: Related Article: Izar Capel Berdiell, Daniel J. Davies, Jack Woodworth, Rafal Kulmaczewski, Oscar Cespedes, Malcolm A. Halcrow|2021|Inorg.Chem.|60|14988|doi:10.1021/acs.inorgchem.1c02404
DOI: 10.5517/ccdc.csd.cc28h2ql
title: CCDC 2099869: Experimental Crystal Structure Determination

description: Related Article: Izar Capel Berdiell, Daniel J. Davies, Jack Woodworth, Rafal Kulmaczewski, Oscar Cespedes, Malcolm A. Halcrow|2021|Inorg.Chem.|60|14988|doi:10.1021/acs.inorgchem.1c02404
DOI: 10.5517/ccdc.csd.cc280xpx
title: CCDC 2086259: Experimental Crystal Structure Determination

description: Related Article: Sagar S. Thorat, Gamidi Rama Krishna, Ravindar Kontham|2021|J.Org.Chem.|86|13572|doi:10.1021/acs.joc.1c01634
DOI: 10.5517/ccdc.csd.cc28l2jh
title: CCDC 2102746: Experimental Crystal Structure Determination

description: Related Article: Tyler K. Allred, Michael B. Shaghafi, Pan-Pan Chen, Quan Tran, K. N. Houk, Larry E. Overman|2021|Org.Lett.|23|7618|doi:10.1021/acs.orglett.1c02832
DOI: 10.5517/ccdc.csd.cc28m233
title: CCDC 2103694: Experimental Crystal Structure Determination

description: Related Article: Francesca Velluti, Ana Acevedo, Gloria Serra, Javier Ellena, Graciela Borthagaray, Gianella Facchin, Laura Scarone, Natalia Alvarez, María H. Torre|2021|Polyhedron|209|115490|doi:10.1016/j.poly.2021.115490
DOI: 10.5517/ccdc.csd.cc28m244
title: CCDC 2103695: Experimental Crystal Structure Determination

description: Related Article: Francesca Velluti, Ana Acevedo, Gloria Serra, Javier Ellena, Graciela Borthagaray, Gianella Facchin, Laura Scarone, Natalia Alvarez, María H. Torre|2021|Polyhedron|209|115490|doi:10.1016/j.poly.2021.115490
DOI: 10.5517/ccdc.csd.cc26f5f8
title: CCDC 2038449: Experimental Crystal Structure Determination

description: Related Article: Nathaniel M. Barker, Stephen D. Taylor, Ethan Ferguson, Jeanette A. Krause, Allen G. Oliver, William B. Connick, Peng Zhang|2021|Inorg.Chem.|60|14731|doi:10.1021/acs.inorgchem.1c01868
DOI: 10.5517/ccdc.csd.cc26f5g9
title: CCDC 2038450: Experimental Crystal Structure Determination

description: Related Article: Nathaniel M. Barker, Stephen D. Taylor, Ethan Ferguson, Jeanette A. Krause, Allen G. Oliver, William B. Connick, Peng Zhang|2021|Inorg.Chem.|60|14731|doi:10.1021/acs.inorgchem.1c01868
DOI: 10.5517/ccdc.csd.cc26f5hb
title: CCDC 2038451: Experimental Crystal Structure Determination

description: Related Article: Nathaniel M. Barker, Stephen D. Taylor, Ethan Ferguson, Jeanette A. Krause, Allen G. Oliver, William B. Connick, Peng Zhang|2021|Inorg.Chem.|60|14731|doi:10.1021/acs.inorgchem.1c01868
DOI: 10.5517/ccdc.csd.cc28h1sm
title: CCDC 2099840: Experimental Crystal Structure Determination

description: Related Article: Izar Capel Berdiell, Daniel J. Davies, Jack Woodworth, Rafal Kulmaczewski, Oscar Cespedes, Malcolm A. Halcrow|2021|Inorg.Chem.|60|14988|doi:10.1021/acs.inorgchem.1c02404
DOI: 10.48370/ofd/ox9jdk
title: Melampsoridium betulinum Klebahn, 3666

description: Fungarium Micromycetes
DOI: 10.25405/data.ncl.16743781
title: Rapid Predictions of the Colour Purity of Luminescent Organic Molecules

description: Designing luminescent organic materials exhibiting narrowband emission is crucial for achieving high resolution and energy efficient organic light emitting diodes (OLEDs), but remains a significant challenge. Herein we establish the key factors determining the emission full-width at half-maximum (FWHM) of 27 organic functional molecules exhibiting emitting states of different characteristics. We demonstrate that the emission FWHM can be interpreted within the displaced harmonic oscillator model (DHO), meaning that predictions can be made using ground state frequency and excited state gradient calculations only. This eliminates the need for time consuming calculations of excited state geometries and Hessians. The DHO model not only makes it possible to predict emission FWHM, but also informs on the normal modes responsible for emission band broadening. In addition, quantum chemistry and rate calculations of three multiple-resonance type thermally activated delayed fluorescence (TADF) emitters demonstrates how the importance of direct intersystem crossing (ISC) can be increased when sulphur is used within the B-N framework. Overall, this work offers new perspectives for incorporating considerations of emission FWHM into rational molecular design and high-throughput screening procedures aiming to develop high efficiency luminescent organic materials
DOI: 10.25405/data.ncl.16743781.v1
title: Rapid Predictions of the Colour Purity of Luminescent Organic Molecules

description: Designing luminescent organic materials exhibiting narrowband emission is crucial for achieving high resolution and energy efficient organic light emitting diodes (OLEDs), but remains a significant challenge. Herein we establish the key factors determining the emission full-width at half-maximum (FWHM) of 27 organic functional molecules exhibiting emitting states of different characteristics. We demonstrate that the emission FWHM can be interpreted within the displaced harmonic oscillator model (DHO), meaning that predictions can be made using ground state frequency and excited state gradient calculations only. This eliminates the need for time consuming calculations of excited state geometries and Hessians. The DHO model not only makes it possible to predict emission FWHM, but also informs on the normal modes responsible for emission band broadening. In addition, quantum chemistry and rate calculations of three multiple-resonance type thermally activated delayed fluorescence (TADF) emitters demonstrates how the importance of direct intersystem crossing (ISC) can be increased when sulphur is used within the B-N framework. Overall, this work offers new perspectives for incorporating considerations of emission FWHM into rational molecular design and high-throughput screening procedures aiming to develop high efficiency luminescent organic materials
DOI: 10.5281/zenodo.5554397
title: sr516/iSALE3D_oblique_impacts:

description: Additional supporting information. Ejecta data from the model simulations used in Raducan, S. D., Davison, T. M., Collins, G. S. (2021) Ejecta distribution and momentum transfer from oblique impacts on asteroid surfaces. Icarus.
DOI: 10.5281/zenodo.5554396
title: sr516/iSALE3D_oblique_impacts:

description: Additional supporting information. Ejecta data from the model simulations used in Raducan, S. D., Davison, T. M., Collins, G. S. (2021) Ejecta distribution and momentum transfer from oblique impacts on asteroid surfaces. Icarus.
DOI: 10.5519/qd.dxr7cow2
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (8 records)
DOI: 10.25318/1510002501-eng
title: Frequency of French use at work by justice occupations, Quebec, 2001 to 2016

description: Provides information on the total, primary, equal and secondary use of French In Quebec at work for workers employed in selected justice occupations, please see footnotes for more details. These data are based on the 2001, 2006 and 2016 Censuses of Population as well as the 2011 National Household Survey.
DOI: 10.5281/zenodo.5543599
title: Genetic differentiation between coexisting wild and domestic Reindeer

description: Genotypes of 16 polymorphic microsatellite markers for 790 animals (13 population samples)
DOI: 10.5281/zenodo.5543598
title: Genetic differentiation between coexisting wild and domestic Reindeer

description: Genotypes of 16 polymorphic microsatellite markers for 790 animals (13 population samples)
DOI: 10.25318/3310039801-fra
title: Indice en temps réel des conditions d'affaires locales (ITRCAL)

description: L'ITRCAL est diffusé à titre de ressource statistique expérimentale. Il vise à fournir un signal en temps-réel  des activités commerciales suivant les perturbations causées par la pandémie et pendant la phase de reprise.
DOI: 10.6084/m9.figshare.16757074.v1
title: CaO_w180-w135.7z

description: Abundance and distribution of oxide abundances and Mg# values generated from KAGUYA multiband imager (MI) spectra<br>
DOI: 10.6084/m9.figshare.16757074
title: CaO_w180-w135.7z

description: Abundance and distribution of oxide abundances and Mg# values generated from KAGUYA multiband imager (MI) spectra<br>
DOI: 10.25318/1310082601-fra
title: Établissements de soins infirmiers et de soins pour bénéficiaires internes, jours-résidents et lits par industrie et secteur, annuel

description: Nombre total de jours-résidents et de lits dans les établissements de soins infirmiers et de soins pour bénéficiaires internes, par SCIAN 2017 (Système de classification des industries de l'Amérique du Nord), pour le Canada, provinces et territoires, annuel.
DOI: 10.25318/1310082601-eng
title: Nursing and residential care facilities, resident days and beds by industry and sector, annual

description: Total number of resident days and beds in nursing care facilities and community care facilities for the elderly, by 2017 NAICS (North American Industry Classification System), for Canada, provinces and territories, annual.
DOI: 10.25318/1310082801-eng
title: Nursing and residential care facilities, total residents by industry, annual

description: Totals and percentages of nursing and residential care facility residents under care and separated, by 2017 NAICS (North American Industry Classification System), for Canada, provinces and territories, annual.