cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.14483232.v1
title: Supplementary Material for: Low-Blood Lymphocyte Number and Lymphocyte Decline as Key Factors in COPD Outcomes: A Longitudinal Cohort Study

description: <b><i>Background:</i></b> Smokers with and without chronic obstructive pulmonary disease (COPD) are at risk of severe outcomes like exacerbations, cancer, respiratory failure, and decreased survival. The mechanisms for these outcomes are unclear; however, there is evidence that blood lymphocytes (BL) number might play a role. <b><i>Objective:</i></b> The objective of this study is to investigate the relationship between BL and their possible decline over time with long-term outcomes in smokers with and without COPD. <b><i>Methods:</i></b> In 511 smokers, 302 with COPD (COPD) and 209 without COPD (noCOPD), followed long term, we investigated whether BL number and BL decline over time might be associated with long-term outcomes. Smokers were divided according to BL number in high-BL (≥1,800 cells/µL) and low-BL (&lt;1,800 cells/µL). Clinical features, cancer incidence, and mortality were recorded during follow-up. BL count in multiple samples and BL decline over time were calculated and related to outcomes. <b><i>Results:</i></b> BL count was lower in COPD (1,880 cells/µL) than noCOPD (2,300 cells/µL; <i>p</i> &lt; 0.001). 43% of COPD and 23% of noCOPD had low-BL count (<i>p</i> &lt; 0.001). BL decline over time was higher in COPD than noCOPD (<i>p</i> = 0.040). 22.5% of the whole cohort developed cancer which incidence was higher in low-BL subjects and in BL decliners than high-BL (31 vs. 18%; <i>p</i> = 0.001) and no decliners (32 vs. 19%; <i>p</i> = 0.002). 26% in the cohort died during follow-up. Furthermore, low-BL count, BL decline, and age were independent risk factors for mortality by Cox regression analysis. <b><i>Conclusion:</i></b> BL count and BL decline are related to worse outcomes in smokers with and without COPD, which suggests that BL count and decline might play a mechanistic role in outcomes deterioration. Insights into mechanisms inducing the fall in BL count could improve the understanding of COPD pathogenesis and point toward new therapeutic measures.
DOI: 10.6084/m9.figshare.14483309.v1
title: The Monte Carlo method to build up models of the hydrolysis half-lives of organic compounds

description: The hydrolysis of organic chemicals such as pesticides, pollutants, or drugs can affect the fate and behaviour of environmental contaminants, so it is of interest to evaluate the stability of substances in water for various purposes. For the registration of organic compounds in Europe, information on hydrolysis must be presented. However, the experimental measurements of all chemicals would require enormous resources, and computational models may become attractive. Applying the CORAL software (http://www.insilico.eu/coral) quantitative structure-property relationships (QSPRs) were built up to model hydrolysis. The 2D-optimal descriptor is calculated with so-called correlation weights for attributes of simplified molecular input-line entry systems (SMILES). The correlation weights are obtained as results of the special Monte Carlo optimization. The nature of (five- and six-member) rings is an important component of this approach. Another important component is the atom pair proportions for nitrogen, oxygen, and sulphur. The statistical quality of the best model is: <i>n</i> = 44, <i>r</i><sup>2</sup> = 0.74 (training set); <i>n</i> = 14, <i>r</i><sup>2</sup> = 0.75 (calibration set); and <i>n</i> = 12, <i>r</i><sup>2</sup> = 0.80 (validation set).
DOI: 10.6084/m9.figshare.14483309
title: The Monte Carlo method to build up models of the hydrolysis half-lives of organic compounds

description: The hydrolysis of organic chemicals such as pesticides, pollutants, or drugs can affect the fate and behaviour of environmental contaminants, so it is of interest to evaluate the stability of substances in water for various purposes. For the registration of organic compounds in Europe, information on hydrolysis must be presented. However, the experimental measurements of all chemicals would require enormous resources, and computational models may become attractive. Applying the CORAL software (http://www.insilico.eu/coral) quantitative structure-property relationships (QSPRs) were built up to model hydrolysis. The 2D-optimal descriptor is calculated with so-called correlation weights for attributes of simplified molecular input-line entry systems (SMILES). The correlation weights are obtained as results of the special Monte Carlo optimization. The nature of (five- and six-member) rings is an important component of this approach. Another important component is the atom pair proportions for nitrogen, oxygen, and sulphur. The statistical quality of the best model is: <i>n</i> = 44, <i>r</i><sup>2</sup> = 0.74 (training set); <i>n</i> = 14, <i>r</i><sup>2</sup> = 0.75 (calibration set); and <i>n</i> = 12, <i>r</i><sup>2</sup> = 0.80 (validation set).
DOI: 10.6084/m9.figshare.14483253
title: Supplementary Material for: Orthostatic Blood Pressure Recovery Measured Using a Sphygmomanometer Is Not Associated with Physical Performance or Number of Falls in Geriatric Outpatients

description: <b><i>Background:</i></b> Orthostatic hypotension (OH) and impaired OH recovery derived from beat-to-beat blood pressure (BP) measurements are associated with detrimental clinical outcome, but the clinical relevance of OH recovery assessed using the widely available sphygmomanometer is still unclear. <b><i>Method:</i></b> 635 geriatric outpatients underwent comprehensive geriatric assessment, including orthostatic BP measurements using a sphygmomanometer, during supine rest and 1 and 3 min after standing up and assessment of physical performance (i.e., the timed up and go test and the Short Physical Performance Battery) and the number of falls in the past year. The association between BP recovery, defined as BP at 3 min minus BP at 1 min after standing up, with physical performance and falls was assessed using regression analyses, adjusting for age and sex, both in the entire cohort and after stratifying for the presence of OH at 1 min after standing up. <b><i>Results:</i></b> BP recovery was not associated with physical performance or number of falls, neither in the entire cohort, nor in subpopulations with or without OH. <b><i>Conclusion:</i></b> The clinical relevance of BP recovery between 1 and 3 min after standing up could not be demonstrated. The results suggest that sphygmomanometer measurements have an inadequate time resolution to record the clinically relevant dynamics of orthostatic BP recovery.
DOI: 10.26188/14483271
title: IRO3 orthologs.geneious

description: Data for manuscript.
DOI: 10.6084/m9.figshare.14483253.v1
title: Supplementary Material for: Orthostatic Blood Pressure Recovery Measured Using a Sphygmomanometer Is Not Associated with Physical Performance or Number of Falls in Geriatric Outpatients

description: <b><i>Background:</i></b> Orthostatic hypotension (OH) and impaired OH recovery derived from beat-to-beat blood pressure (BP) measurements are associated with detrimental clinical outcome, but the clinical relevance of OH recovery assessed using the widely available sphygmomanometer is still unclear. <b><i>Method:</i></b> 635 geriatric outpatients underwent comprehensive geriatric assessment, including orthostatic BP measurements using a sphygmomanometer, during supine rest and 1 and 3 min after standing up and assessment of physical performance (i.e., the timed up and go test and the Short Physical Performance Battery) and the number of falls in the past year. The association between BP recovery, defined as BP at 3 min minus BP at 1 min after standing up, with physical performance and falls was assessed using regression analyses, adjusting for age and sex, both in the entire cohort and after stratifying for the presence of OH at 1 min after standing up. <b><i>Results:</i></b> BP recovery was not associated with physical performance or number of falls, neither in the entire cohort, nor in subpopulations with or without OH. <b><i>Conclusion:</i></b> The clinical relevance of BP recovery between 1 and 3 min after standing up could not be demonstrated. The results suggest that sphygmomanometer measurements have an inadequate time resolution to record the clinically relevant dynamics of orthostatic BP recovery.
DOI: 10.26188/14483271.v2
title: IRO3 orthologs.geneious

description: Data for manuscript.
DOI: 10.26188/14483271.v1
title: IRO3 orthologs.geneiousAnnotation and Molecular Characterisation of the TaIRO3 and TaHRZ Iron Homeostasis Genes in Bread Wheat (Triticum aestivum L.)

description: Data for manuscript.
DOI: 10.6084/m9.figshare.14483022
title: Supplementary Material for: Longitudinal Study of Brachial-Ankle Pulse Wave Velocity and Change in Estimated Glomerular Filtration Rate among Chinese Adults

description: <b><i>Background and Objectives:</i></b> Studies on the association between arterial stiffness and kidney function have generated inconsistent results. Whether arterial stiffness is linked to decline in renal function warrants further study. This study aimed to investigate the association between brachial-ankle pulse wave velocity (baPWV) and longitudinal change in estimated glomerular filtration rate (eGFR) among Chinese adults. <b><i>Methods:</i></b> In this longitudinal study, 8,264 participants in a community-based cohort had baPWV measured in 2010–2011 and were followed in subsequent surveys through to 2016. During each survey visit, fasting blood samples were collected for serum creatinine and eGFR was calculated. Participants were divided into 5 groups (Q1-Q5) by baPWV quintile. The association between baPWV and longitudinal changes in eGFR was assessed using generalized estimating equation models. <b><i>Results:</i></b> A total of 8,045 participants were included in the final analysis. The average age was 54 ± 12 years (age range 24–97 years), and mean eGFR was 93.0 ± 18.6 mL/min/1.73 m<sup>2</sup>. There was an inverse linear association between baseline baPWV and eGFR change rate (<i>p</i> &lt; 0.001). Compared with Q1 (lowest) group, the mean differences and 95% CI in eGFR decrease rate among Q2–Q5 groups were −0.23 (−0.62, 0.16), −0.67 (−1.06, −0.28), −1.11 (−1.50, −0.72), and −1.30 (−1.69, −0.92) mL/min/1.73 m<sup>2</sup> per year, respectively, after adjustment for age, gender, and other potential confounders (<i>p</i> trend &lt; 0.0001). For each 100 cm/s increase in baPWV at baseline, the fully adjusted mean difference in eGFR decrease rate was −0.14 mL/min/1.73 m<sup>2</sup> per year (95% CI −0.18, −0.10; <i>p</i> &lt; 0.0001). Compared with participants with baPWV &lt; 1,400 cm/s, the fully adjusted mean difference in eGFR decrease rate was −0.92 mL/min/1.73 m<sup>2</sup> per year (95% CI −1.18, −0.66) for those with baPWV ≥ 1,400 cm/s (<i>p</i> &lt; 0.0001). <b><i>Conclusions:</i></b> Participants with a higher baPWV at baseline had a greater decrease in eGFR over time. Future studies could examine the relationship between baPWV and decline in renal function in higher risk cohorts, and its potential role in targeting reno-protective interventions to those who may benefit from them most.
DOI: 10.6084/m9.figshare.14483022.v1
title: Supplementary Material for: Longitudinal Study of Brachial-Ankle Pulse Wave Velocity and Change in Estimated Glomerular Filtration Rate among Chinese Adults

description: <b><i>Background and Objectives:</i></b> Studies on the association between arterial stiffness and kidney function have generated inconsistent results. Whether arterial stiffness is linked to decline in renal function warrants further study. This study aimed to investigate the association between brachial-ankle pulse wave velocity (baPWV) and longitudinal change in estimated glomerular filtration rate (eGFR) among Chinese adults. <b><i>Methods:</i></b> In this longitudinal study, 8,264 participants in a community-based cohort had baPWV measured in 2010–2011 and were followed in subsequent surveys through to 2016. During each survey visit, fasting blood samples were collected for serum creatinine and eGFR was calculated. Participants were divided into 5 groups (Q1-Q5) by baPWV quintile. The association between baPWV and longitudinal changes in eGFR was assessed using generalized estimating equation models. <b><i>Results:</i></b> A total of 8,045 participants were included in the final analysis. The average age was 54 ± 12 years (age range 24–97 years), and mean eGFR was 93.0 ± 18.6 mL/min/1.73 m<sup>2</sup>. There was an inverse linear association between baseline baPWV and eGFR change rate (<i>p</i> &lt; 0.001). Compared with Q1 (lowest) group, the mean differences and 95% CI in eGFR decrease rate among Q2–Q5 groups were −0.23 (−0.62, 0.16), −0.67 (−1.06, −0.28), −1.11 (−1.50, −0.72), and −1.30 (−1.69, −0.92) mL/min/1.73 m<sup>2</sup> per year, respectively, after adjustment for age, gender, and other potential confounders (<i>p</i> trend &lt; 0.0001). For each 100 cm/s increase in baPWV at baseline, the fully adjusted mean difference in eGFR decrease rate was −0.14 mL/min/1.73 m<sup>2</sup> per year (95% CI −0.18, −0.10; <i>p</i> &lt; 0.0001). Compared with participants with baPWV &lt; 1,400 cm/s, the fully adjusted mean difference in eGFR decrease rate was −0.92 mL/min/1.73 m<sup>2</sup> per year (95% CI −1.18, −0.66) for those with baPWV ≥ 1,400 cm/s (<i>p</i> &lt; 0.0001). <b><i>Conclusions:</i></b> Participants with a higher baPWV at baseline had a greater decrease in eGFR over time. Future studies could examine the relationship between baPWV and decline in renal function in higher risk cohorts, and its potential role in targeting reno-protective interventions to those who may benefit from them most.
DOI: 10.5281/zenodo.4719073
title: Testing nauyaca: mock catalog and results

description: Dataset associated with the paper "Nauyaca: a new tool to determine planetary masses and orbital elements through transit timing analysis". It includes the mock catalog of planetary systems and the posteriors after applying nauyaca.
DOI: 10.5281/zenodo.4719209
title: BRAIN SCIENCES: Neural Processing of Cognitive Control in an Emotionally Neutral Context in Anxiety Patients

description: This data set for the publication "Neural Processing of Cognitive Control in an Emotionally Neutral Context in Anxiety Patients" in Brain Sciences (2021) comprises: Behavioral data: Performance (percent correct reponses) and reaction times (ms) for congruent and incongruent trials during the flanker task. EEG - mean amplitudes: Event-related brain potential data for the mean amplitude analysis (microvolt values) for congruent and incongruent trials for time windows 260-300, 300-400 and 420-660 ms. EEG - peak-latency: Event-related brain potential data for the peak-latency analysis (microvolt values and ms) for congruent and incongruent trials for time windows 260-300 and 300-660 ms. fNIRS: oxy-Hb and deoxy-Hb data (beta values in mmol/l) for congruent and incongruent trials.
DOI: 10.5281/zenodo.4719208
title: BRAIN SCIENCES: Neural Processing of Cognitive Control in an Emotionally Neutral Context in Anxiety Patients

description: This data set for the publication "Neural Processing of Cognitive Control in an Emotionally Neutral Context in Anxiety Patients" in Brain Sciences (2021) comprises: Behavioral data: Performance (percent correct reponses) and reaction times (ms) for congruent and incongruent trials during the flanker task. EEG - mean amplitudes: Event-related brain potential data for the mean amplitude analysis (microvolt values) for congruent and incongruent trials for time windows 260-300, 300-400 and 420-660 ms. EEG - peak-latency: Event-related brain potential data for the peak-latency analysis (microvolt values and ms) for congruent and incongruent trials for time windows 260-300 and 300-660 ms. fNIRS: oxy-Hb and deoxy-Hb data (beta values in mmol/l) for congruent and incongruent trials.
DOI: 10.5255/ukda-sn-853950
title: Population 24/7 Near Real Time: Data Library, Sample Outputs and Batch Files for England, 2011

description: This data collection comprises a data library, sample outputs, batch files and accompanying documentation from the ESRC-funded project “Population247NRT: Near real-time spatiotemporal population estimates for health, emergency response and national security”. The data comprise a structured set of input data for use with the authors’ SurfaceBuilder247 software and sample outputs which estimate the population distribution of England at specific times on specific dates, referenced to 2011 census population totals. The sample output files (provided as GeoTIFFs) contain population estimates in 200m grid cells, based on the British National Grid, for 02:00 (2am) and 14:00 (2pm) on a typical weekday in University and school term-time and out of term-time. The estimates are broken down by seven age/economic activity sub-groups for term-time and six for out of term-time, and include estimates of population activity in residential, workplace, education, healthcare and road transportation domains. The data library, which has been constructed entirely using open data sources, comprises population estimates, by age/economic activity sub-groups, for point locations (typically population-weighted centroids of census output areas and workplace zones, or postcode centroids of sites such as schools or hospitals); time profiles representing usual patterns of population activity at these sites during a 24-hour period; and background grid layers representing the land surface area and major road network. SurfaceBuilder247 uses the data library to generate time-specific gridded population estimates by redistributing the population of each sub-group across the available locations and background grid in accordance with the reference time profiles. The sample output grids provided in this resource may be used directly in GIS software or, alternatively, the input data library may be reprocessed using SurfaceBuilder247 to generate estimates for specific dates and times of interest to the user. Sample batch and session parameter files are included in the resource.
DOI: 10.6084/m9.figshare.14058443
title: Metadata record for: In vivo human whole-brain Connectom diffusion MRI dataset at 760 μm isotropic resolution

description: This dataset contains key characteristics about the data described in the Data Descriptor In vivo human whole-brain Connectom diffusion MRI dataset at 760 μm isotropic resolution. <br> Contents: <br> 1. human readable metadata summary table in CSV format 2. machine readable metadata file in JSON format
DOI: 10.6084/m9.figshare.14058443.v1
title: Metadata record for: In vivo human whole-brain Connectom diffusion MRI dataset at 760 μm isotropic resolution

description: This dataset contains key characteristics about the data described in the Data Descriptor In vivo human whole-brain Connectom diffusion MRI dataset at 760 μm isotropic resolution. <br> Contents: <br> 1. human readable metadata summary table in CSV format 2. machine readable metadata file in JSON format
DOI: 10.6084/m9.figshare.14483184
title: Municipal panel data.xlsx

description: Data of governors of 29 provinces and 251 prefecture-level cities in China process of data processing :(i) Collecting data on epidemic cases from 31 provinces and more than 300 prefectural-level cities in China. (ii) Screening and collating data on the CVs of officials through the portals of governments as well as search platforms such as Baidu. (iii) By matching the epidemic cases data, officials’ data, and control variables data of each province and municipality to finally form a panel data format of 29 provinces and 251 prefecture-level cities.<br>
DOI: 10.6084/m9.figshare.13583015
title: Metadata record for: COVID-CT-MD, COVID-19 computed tomography scan dataset applicable in machine learning and deep learning

description: This dataset contains key characteristics about the data described in the Data Descriptor COVID-CT-MD, COVID-19 computed tomography scan dataset applicable in machine learning and deep learning. <br> Contents: <br> 1. human readable metadata summary table in CSV format 2. machine readable metadata file in JSON format
DOI: 10.14469/hpc/8126
title: 1-cyclopentyl-3-(2-isopropyl-5-methylphenoxy)propan-2-one

description: 0.749 g of thymol and 0.714 g of Cyclopentylacetic acid was measured out. In a round bottom flask with a magnetic stirrer bar, 15mL of acetonitrile, 0.5 mmol of DMAP and 6.5 mmol of EDC·HCl was added. Then the acid and thymol were added add with the aid of acetonitrile (10 mL) each. Heater and stirring was turned on after the condenser was set to run (100 °C). TLC assessments were carried out every hour to monitor the reaction process. At the end of the day, stopped the water running and heater block. The reaction solution appeared to be transparent at room temperature.
DOI: 10.14469/hpc/8128
title: 2-isopropyl-5-methylbenzyl nonadecanoate

description: 0.753 g (5 mmol) of thymol and 1.655g (5.5 mmol) of nonadecanoic acid was measured out. In a round bottom flask with a magnetic stirrer bar, 15mL of acetonitrile, 0.5 mmol of DMAP and 6.5 mmol of EDC·HCl was added. Then the acid and thymol were added add with the aid of acetonitrile (10 mL) each. Heater and stirring was turned on after the condenser was set to run (100 °C). TLC assessments were carried out every half an hour to monitor the reaction process. At the end of the day, stopped the water running and heater block. The reaction solution appeared to be creamy and thick at room temperature.
DOI: 10.6084/m9.figshare.13561976
title: Metadata record for: A magnetoencephalography dataset for motor and cognitive imagery-based brain–computer interfacing

description: This dataset contains key characteristics about the data described in the Data Descriptor A magnetoencephalography dataset for motor and cognitive imagery-based brain–computer interfacing. <br> Contents: <br> 1. human readable metadata summary table in CSV format 2. machine readable metadata file in JSON format
DOI: 10.6084/m9.figshare.13561976.v1
title: Metadata record for: A magnetoencephalography dataset for motor and cognitive imagery-based brain–computer interfacing

description: This dataset contains key characteristics about the data described in the Data Descriptor A magnetoencephalography dataset for motor and cognitive imagery-based brain–computer interfacing. <br> Contents: <br> 1. human readable metadata summary table in CSV format 2. machine readable metadata file in JSON format
DOI: 10.6084/m9.figshare.14483319
title: Interpreting and Validating the Political Logic of Officials’ Response to the Covid-19 Pandemic

description: The time range of the data used in this paper is from 1 January 2020 to 5 May 2020. The specific process of data processing is as follows: (i) Collecting data on epidemic cases from 31 provinces and more than 300 prefectural-level cities in China. (ii) Screening and collating data on the CVs of officials through the portals of governments as well as search platforms such as Baidu. (iii) By matching the epidemic cases data, officials’ data, and control variables data of each province and municipality to finally form a panel data format of 29 provinces and 251 prefecture-level cities. The 29 provinces exclude Hong Kong, Macao and Taiwan in China, as well as Tibet and Hubei provinces.