cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6073/pasta/4fe024e26db3436b632db1123ac21fcc
title: Jornada Basin LTER Cross-scale Interactions Study (CSIS) Block 6 meteorological station: 30-minute soil volumetric water content data: 2013 - ongoing

description: 30-minute Soil Moisture data at 10 cm at CSIS Block-6. Collection of soil volumetric water content data at Jornada LTER Cross-scale Interactions Study (CSIS) blocks, New Mexico, supports the environmental monitoring objectives of the Jornada LTER monitoring program that look at plant-soil water dynamics. Soil volumetric water content is measured at 10 cm depth at 3 locations at each of the 4 plots per block. The locations in each plot are under bare soil, under perennial grass, and under shrub. Volumetric water content, bulk electrical conductivity, soil temperature, and bulk dielectric permittivity are recorded every 30 minutes at an automated meteorological station installed at Jornada LTER CSIS Block-6 site. This is an ONGOING dataset.
DOI: 10.15151/esrf-es-1299172157
title: Macromolecular Crystallography in Bordeaux/Lyon/Toulouse IECB IBGC CBMN / IBCP-MMSB ICBMS / IPBS

description: The different research teams who are part of this BAG are located in Bordeaux, Lyon and Toulouse. They are mainly working on worldwide health concerns or biotechnological relevant projects. In more details, infectiology, molecular assemblies, biosynthetic pathways or glycobiology are their main research axises. Important results have been obtained so far regarding the development of new therapeutic strategies against several infectious diseases or regarding plastic bioremediation. In order to go further into details of all these studies, access to ESRF facilities is a requirement.
DOI: 10.15151/esrf-es-1300764768
title: ITABAG: 3D structures of macromolecules related to human health

description: The ITABAG includes structural biologists from Universities, the National Research Council and Hospital research centres in Italy. The laboratories take advantage of single crystal and small angle X-ray diffraction methods to study the structure-function relationships in various macromolecules. A unifying factor for the vast majority of the macromolecules under study is that they are related to human health, either directly, being human proteins involved in some disease, or indirectly, as proteins expressed by human pathogens and validated as potential pharmacological targets. Other projects investigate basic chemical processes, such as crystal growth, or aim at characterising macromolecules with potential biotechnological applications.
DOI: 10.15151/esrf-es-1303533419
title: Structural Biology of macromolecules and macromolecular complexes from India

description: Structural biology research groups located in India constitute the INDIA-BAG and will utilize MX, SAXS and CryoEM to study different biological macromolecules. The non-proprietary agreement signed between ESRF and the Regional Centre for Biotechnology (RCB), on behalf of the Department of Biotechnology (DBT) enables studies that provide fundamental insight regarding different biological processes . About 50 groups are part of this BAG and the allocated beamtime will be available for over 500 young researchers. A brief description of all the research groups is provided in the global summary. The ESRF-India partnership is supported by a grant provided by the DBT. Please note that a comprehensive annual report has to be sent to the DBT to obtain release of funds to pay ESRF membership dues. Consequently, all the structural biologists from India are grouped in a single BAG to enable smooth allocation of beamtime and monitoring of progress to collect the required statistics.
DOI: 10.15151/esrf-es-1313211663
title: Complexes of human butyrylcholinesterases with inhibitors as anti-Alzheimer's treatment

description: Human Butyrylcholinesterase (BChE) is a well known scavenger of organophosphorous nerve agents. It is also a recent target for development of the so-called reactivators, highly nucleophilic compounds, able to restore enzyme activy after nerve agents inhibition. In parallel, BChE is also a new target for the treatment of Alzheimer's disease. Determination of crystal structure of BChE in complex with compounds designed to act as anti-AD drugs, will well to improve our structural database, in order to designed better and BChE-specific reactivators.
DOI: 10.15151/esrf-es-1313389881
title: Kinematic scattering in the nanodiffraction limit: Experimental testing on a model system

description: Diffraction from ultra-thin single crystal films is predicted to deviate from what is usually known for bulk materials. For example, the position, integrated intensity and integral breadth of a diffraction peak cannot be related to the lattice spacing of the material or the number of unit cells along the diffraction vector. These predictions bear important consequences for the analysis of diffraction patterns from nanocrystals. They have not yet been confronted to experimental measurements performed on simple model systems. The aim of this proposed experiment is to investigate in detail the diffraction patterns from very clean ultrathin SOI films and confront these results to kinematic scattering calculations taking into account all nanodiffarction artefacts.
DOI: 10.15151/esrf-es-1347179310
title: X-ray fluorescence and phase nanotomography of an aluminium alloy for additive manufacturing

description: X-ray fluorescence and phase nanotomography of an aluminium alloy for additive manufacturing
DOI: 10.6073/pasta/2425e6e00796050030e014efd84a4af3
title: Jornada Basin LTER Cross-scale Interactions Study (CSIS) Block 6 meteorological station: Daily average soil volumetric water content data: 2013 - ongoing

description: Daily Average of 30-minute Soil Volumetric Water Content data at 10 cm at CSIS Block-6. Collection of soil water content data at Jornada LTER Cross-scale Interactions Study (CSIS) blocks, New Mexico, supports the environmental monitoring objectives of the Jornada LTER monitoring program that look at plant-soil water dynamics. Soil volumetric water content is measured every 30 minutes at 10 cm depth at 3 locations at each of the 4 plots per block and averaged for the daily value. The locations in each plot are under bare soil, under perennial grass, and under shrub. Volumetric water content, bulk electrical conductivity, soil temperature, and bulk dielectric permittivity are recorded at an automated meteorological station installed at Jornada LTER CSIS Block-6 site. This is an ONGOING dataset.
DOI: 10.6084/m9.figshare.24265036
title: Supplementary Material for: Blood pressure and Mortality in the 4D Study

description: Introduction: Systolic (SBP), diastolic (DBP) and mean arterial pressure (MAP) are risk factors for cardiovascular mortality (CVM). Pulse pressure (PP) is an easily available parameter of vascular stiffness, but its impact on CVM in chronic dialysis patients with diabetes is unclear. Methods: Therefore, we have examined the predictive value of baseline, predialytic PP, SBP, DBP and MAP in the German Diabetes and Dialysis (4D) study, a prospective, randomized, double-blind trial enrolling 1255 patients with type 2 diabetes on hemodialysis in 178 German dialysis centers. Results: Mean age was 66.3 years, mean blood pressure 146/76 mmHg, mean time suffering from diabetes 18.1 years and mean time on maintenance dialysis 8.3 months. Considered as continuous variables, PP, MAP, SBP and DBP could not provide a significant mortality prediction for either cardiovascular or all-cause mortality. After dividing the cohort into corresponding tertiles, we did also not detect any significant mortality prediction for PP, SBP, DBP or MAP, both for all-cause mortality and CVM after adjusting for age and sex. Nevertheless, when comparing the HR plots of the corresponding blood pressure parameters, a pronounced U-curve was seen for PP for both all-cause mortality and CVM, with the trough range being 70-80 mmHg. Discussion: In patients with end-stage renal disease and long-lasting diabetes mellitus predialytic blood pressure parameters at study entry are not predictive for mortality, presumably because there is a very high rate of competing mortality risk factors, resulting in overall very high rates of all-cause and cardiovascular mortality, that may no longer be significantly modulated by blood pressure control.
DOI: 10.6084/m9.figshare.24265036.v1
title: Supplementary Material for: Blood pressure and Mortality in the 4D Study

description: Introduction: Systolic (SBP), diastolic (DBP) and mean arterial pressure (MAP) are risk factors for cardiovascular mortality (CVM). Pulse pressure (PP) is an easily available parameter of vascular stiffness, but its impact on CVM in chronic dialysis patients with diabetes is unclear. Methods: Therefore, we have examined the predictive value of baseline, predialytic PP, SBP, DBP and MAP in the German Diabetes and Dialysis (4D) study, a prospective, randomized, double-blind trial enrolling 1255 patients with type 2 diabetes on hemodialysis in 178 German dialysis centers. Results: Mean age was 66.3 years, mean blood pressure 146/76 mmHg, mean time suffering from diabetes 18.1 years and mean time on maintenance dialysis 8.3 months. Considered as continuous variables, PP, MAP, SBP and DBP could not provide a significant mortality prediction for either cardiovascular or all-cause mortality. After dividing the cohort into corresponding tertiles, we did also not detect any significant mortality prediction for PP, SBP, DBP or MAP, both for all-cause mortality and CVM after adjusting for age and sex. Nevertheless, when comparing the HR plots of the corresponding blood pressure parameters, a pronounced U-curve was seen for PP for both all-cause mortality and CVM, with the trough range being 70-80 mmHg. Discussion: In patients with end-stage renal disease and long-lasting diabetes mellitus predialytic blood pressure parameters at study entry are not predictive for mortality, presumably because there is a very high rate of competing mortality risk factors, resulting in overall very high rates of all-cause and cardiovascular mortality, that may no longer be significantly modulated by blood pressure control.
DOI: 10.6073/pasta/f86339c22e7aa60f4ac86a24ce91e150
title: Jornada Basin LTER Cross-scale Interactions Study (CSIS) Block 6 meteorological station: Daily summary data: 2013 - ongoing

description: This data package contains hourly air temperature, relative humidity, wind speed, wind direction, and precipitation summary data from Jornada Basin LTER Cross Scale Interactions Study (CSIS) Block-6 met station. Air temperature, relative humidity, wind speed, wind direction, and precipitation are measured and calculated at an automated meteorological station connected to a 900 MHz spread spectrum wireless network. Wind speed is measured at 37cm, 75 cm, 150 cm, and 300 cm, wind direction at approximately 3m, and air temperature and relative humidity at approximate 2.5m. Measurements are aggregated at intervals of 5, 30, 60 minutes and daily, with precipitation additionally provided with 1 second aggregation during precipitation events. The met station variables measured include air temperature, precipitation, relative humidity, wind direction, wind speed. Precipitation is not measured at Block 1 and Block 12 because of proximity to Block 2 and Block 13, respectively . This is an ONGOING dataset.
DOI: 10.5281/zenodo.8416107
title: Data-based modeling of the magnetosheath magnetic field

description: The zip-archive 2023JA031665.zip contains two data files used in the generation and validation of the magnetosheath magnetic field model, a corresponding format description file, and a file with a fortran subroutine that can be used to reconstruct the magnetosheath magnetic field, as presented in the JGRA article 2023JA031665 by N. A. Tsyganenko, V. S. Semenov, and N. V. Erkaev "<strong><em>Data-based modeling of the magnetosheath magnetic field </em></strong>". Below is a list of files with a brief explanation of their content and purpose. 1. The ascii files <strong>Grand_training_set.dat</strong> and <strong>Grand_validation_set.dat</strong> contain data used in the generation of the magnetosheath magnetic field model and its validation, respectively. Data formats are provided in a separate text file <strong>Data_format.txt</strong>. 2. The file <strong>MS_field_model.for</strong> contains a fortran subroutine for calculating the model magnetosheath magnetic field components.
DOI: 10.6073/pasta/409195b9cad7ad4ae7c9807122da6f11
title: Jornada Basin LTER Cross-scale Interactions Study (CSIS) Block 7 meteorological station: 30-minute summary data: 2017 - ongoing

description: This data package contains 30-minute air temperature, relative humidity, and wind summary data from Jornada Basin LTER Cross Scale Interactions Study (CSIS) Block-1 met station. Average air temperature, relative humidity, wind speed, wind direction, and precipitation are measured and calculated at an automated meteorological station connected to a 900 MHz spread spectrum wireless network. Wind speed is measured at 37cm, 75 cm, 150 cm, and 300 cm, wind direction at approximately 3m, and air temperature and relative humidity at approximate 2.5m. Measurements are aggregated at intervals of 5, 30, 60 minutes and daily, with precipitation additionally provided with 1 second aggregation during precipitation events. The met station variables measured include air temperature, precipitation, relative humidity, wind direction, wind speed. Precipitation is not measured at Block 1 and Block 12 because of proximity to Block 2 and Block 13, respectively. This is an ONGOING dataset.
DOI: 10.6084/m9.figshare.24265045
title: Supplementary Material for: Blood pressure and Mortality in the 4D Study

description: Introduction: Systolic (SBP), diastolic (DBP) and mean arterial pressure (MAP) are risk factors for cardiovascular mortality (CVM). Pulse pressure (PP) is an easily available parameter of vascular stiffness, but its impact on CVM in chronic dialysis patients with diabetes is unclear. Methods: Therefore, we have examined the predictive value of baseline, predialytic PP, SBP, DBP and MAP in the German Diabetes and Dialysis (4D) study, a prospective, randomized, double-blind trial enrolling 1255 patients with type 2 diabetes on hemodialysis in 178 German dialysis centers. Results: Mean age was 66.3 years, mean blood pressure 146/76 mmHg, mean time suffering from diabetes 18.1 years and mean time on maintenance dialysis 8.3 months. Considered as continuous variables, PP, MAP, SBP and DBP could not provide a significant mortality prediction for either cardiovascular or all-cause mortality. After dividing the cohort into corresponding tertiles, we did also not detect any significant mortality prediction for PP, SBP, DBP or MAP, both for all-cause mortality and CVM after adjusting for age and sex. Nevertheless, when comparing the HR plots of the corresponding blood pressure parameters, a pronounced U-curve was seen for PP for both all-cause mortality and CVM, with the trough range being 70-80 mmHg. Discussion: In patients with end-stage renal disease and long-lasting diabetes mellitus predialytic blood pressure parameters at study entry are not predictive for mortality, presumably because there is a very high rate of competing mortality risk factors, resulting in overall very high rates of all-cause and cardiovascular mortality, that may no longer be significantly modulated by blood pressure control.
DOI: 10.6084/m9.figshare.24265045.v1
title: Supplementary Material for: Blood pressure and Mortality in the 4D Study

description: Introduction: Systolic (SBP), diastolic (DBP) and mean arterial pressure (MAP) are risk factors for cardiovascular mortality (CVM). Pulse pressure (PP) is an easily available parameter of vascular stiffness, but its impact on CVM in chronic dialysis patients with diabetes is unclear. Methods: Therefore, we have examined the predictive value of baseline, predialytic PP, SBP, DBP and MAP in the German Diabetes and Dialysis (4D) study, a prospective, randomized, double-blind trial enrolling 1255 patients with type 2 diabetes on hemodialysis in 178 German dialysis centers. Results: Mean age was 66.3 years, mean blood pressure 146/76 mmHg, mean time suffering from diabetes 18.1 years and mean time on maintenance dialysis 8.3 months. Considered as continuous variables, PP, MAP, SBP and DBP could not provide a significant mortality prediction for either cardiovascular or all-cause mortality. After dividing the cohort into corresponding tertiles, we did also not detect any significant mortality prediction for PP, SBP, DBP or MAP, both for all-cause mortality and CVM after adjusting for age and sex. Nevertheless, when comparing the HR plots of the corresponding blood pressure parameters, a pronounced U-curve was seen for PP for both all-cause mortality and CVM, with the trough range being 70-80 mmHg. Discussion: In patients with end-stage renal disease and long-lasting diabetes mellitus predialytic blood pressure parameters at study entry are not predictive for mortality, presumably because there is a very high rate of competing mortality risk factors, resulting in overall very high rates of all-cause and cardiovascular mortality, that may no longer be significantly modulated by blood pressure control.
DOI: 10.6073/pasta/ecdcf2b0846d38421d8b76a5af766ee8
title: Jornada Basin LTER Cross-scale Interactions Study (CSIS) Block 7 meteorological station: 5-minute summary wind and air temperature data: 2013 - ongoing

description: This data package contains 5-minute air temperature and wind summary data from Jornada Basin LTER Cross Scale Interactions Study (CSIS) Block-7 met station. Average air temperature, wind speed, and wind direction are measured and calculated at an automated meteorological station connected to a 900 MHz spread spectrum wireless network. Wind speed is measured at 37cm, 75 cm, 150 cm, and 300 cm, wind direction at approximately 3m, and air temperature and relative humidity at approximate 2.5m. This is a subset of baseline weather data collected at the 15 Jornada Basin LTER CSIS study blocks, New Mexico. Measurements are aggregated at intervals of 5, 30, 60 minutes and daily, with precipitation additionally provided with 1 second aggregation during precipitation events. The met station variables measured include air temperature, precipitation, relative humidity, wind direction, wind speed. Precipitation is not measured at Block 1 and Block 12 because of proximity to Block 2 and Block 13, respectively . This is an ONGOING dataset.
DOI: 10.5281/zenodo.8416144
title: Photocyclisation of furylfulgide tBu-1

description: <strong>Description</strong> This dataset contains the results of nonadiabatic molecular dynamics (NAMD) simulations of the photocyclisation reaction of a furylfulgide with a <em>tert</em>-butyl group at position C3. The nuclear wavepacket is represented by a set of 50 trajectories, which are numbered from 0 to 49. Each trajectory is formatted as a standard XYZ file, and it can be viewed with molecular editing software such as Jmol, GDIS, or VMD. The atomic coordinates are given in units of angstrom. The frames are written every time step (at intervals of 0.5 fs). Each trajectory lasts 500 fs. Each frame in each trajectory has a comment line, which gives the time t (in units of fs), the energy of the S<sub>0</sub> state, the energy of the S<sub>1</sub> state, the energy of the current state, and the total energy (in units of hartree). <strong>Acknowledgement</strong> This research was supported by the NCN grant Miniatura no. 2022/06/X/ST4/00523, and by the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No. 847413.
DOI: 10.5281/zenodo.8416143
title: Photocyclisation of furylfulgide tBu-1

description: <strong>Description</strong> This dataset contains the results of nonadiabatic molecular dynamics (NAMD) simulations of the photocyclisation reaction of a furylfulgide with a <em>tert</em>-butyl group at position C3. The nuclear wavepacket is represented by a set of 50 trajectories, which are numbered from 0 to 49. Each trajectory is formatted as a standard XYZ file, and it can be viewed with molecular editing software such as Jmol, GDIS, or VMD. The atomic coordinates are given in units of angstrom. The frames are written every time step (at intervals of 0.5 fs). Each trajectory lasts 500 fs. Each frame in each trajectory has a comment line, which gives the time t (in units of fs), the energy of the S<sub>0</sub> state, the energy of the S<sub>1</sub> state, the energy of the current state, and the total energy (in units of hartree). <strong>Acknowledgement</strong> This research was supported by the NCN grant Miniatura no. 2022/06/X/ST4/00523, and by the European Union’s Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No. 847413.
DOI: 10.6073/pasta/a7a52867619fd5aa34478fda6cebdb5a
title: Jornada Basin LTER Cross-scale Interactions Study (CSIS) Block 7 meteorological station: 1-hour summary data: 2017 - ongoing

description: This data package contains hourly air temperature, relative humidity, wind speed, wind direction, and precipitation summary data from Jornada Basin LTER Cross Scale Interactions Study (CSIS) Block-7 met station. Air temperature, relative humidity, wind speed, wind direction, and precipitation are measured and calculated at an automated meteorological station connected to a 900 MHz spread spectrum wireless network. Wind speed is measured at 37cm, 75 cm, 150 cm, and 300 cm, wind direction at approximately 3m, and air temperature and relative humidity at approximate 2.5m. Measurements are aggregated at intervals of 5, 30, 60 minutes and daily, with precipitation additionally provided with 1 second aggregation during precipitation events. Precipitation is not measured at Block 1 and Block 12 because of proximity to Block 2 and Block 13, respectively . This is an ONGOING dataset.
DOI: 10.6073/pasta/628bdaebb94a8fde847b2fecb5162a83
title: Jornada Basin LTER Cross-scale Interactions Study (CSIS) Block 7 meteorological station: 30-minute soil volumetric water content data: 2013 - ongoing

description: 30-minute Soil Moisture data at 10 cm at CSIS Block-7. Collection of soil volumetric water content data at Jornada LTER Cross-scale Interactions Study (CSIS) blocks, New Mexico, supports the environmental monitoring objectives of the Jornada LTER monitoring program that look at plant-soil water dynamics. Soil volumetric water content is measured at 10 cm depth at 3 locations at each of the 4 plots per block. The locations in each plot are under bare soil, under perennial grass, and under shrub. Volumetric water content, bulk electrical conductivity, soil temperature, and bulk dielectric permittivity are recorded every 30 minutes at an automated meteorological station installed at Jornada LTER CSIS Block-7 site. This is an ONGOING dataset.
DOI: 10.6084/m9.figshare.24265057
title: The genome assembly of <i>Pst</i> isolate AZ2 haplotype 1

description: PacBio HiFi sequencing technology and a trio-binning approach were combined to generate a fully haplotype-resolved and nearly gap-free genome assembly of <i>Puccinia striiformis</i> f. sp. <i>tritici</i> (<i>Pst</i>) isolate AZ2, which was derived from <i>Pst</i> isolate A153 crossing with isolate XZ-2.
DOI: 10.6084/m9.figshare.24265057.v1
title: The genome assembly of <i>Pst</i> isolate AZ2 haplotype 1

description: PacBio HiFi sequencing technology and a trio-binning approach were combined to generate a fully haplotype-resolved and nearly gap-free genome assembly of <i>Puccinia striiformis</i> f. sp. <i>tritici</i> (<i>Pst</i>) isolate AZ2, which was derived from <i>Pst</i> isolate A153 crossing with isolate XZ-2.