cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.5633950
title: Data used for the reported findings

description: This dataset is affiliated with the manuscript "The role of soil texture on diurnal and seasonal cycles of potential evaporation over saturated bare soils - lysimeter studies" submitted for review.
description: The paper is currently under review and the dataset is for pree-review only. Any use of the dataset for report or publishment before accept must be approved by the contact person.
DOI: 10.25934/pr00003869.0
title: Available IPD datapackage for study 'A Randomized, Double-blind, Multi-center, Placebo-controlled, Cross-over Study to Determine the Consistency of Response for Trexima (Sumatriptan 85mg/Naproxen Sodium 500mg) Administered During the Mild Pain Phase for the Acute Treatment of Multiple Migraine Attacks'

description: The purpose of this study is to determine the consistency of response for Treximet (sumatriptan/naproxen sodium), formerly known as Trexima, when treating four acute migraine attacks at the mild pain phase and within 1 hour of onset of head pain.
DOI: 10.5281/zenodo.5733844
title: Where is Region 1 field-aligned current generated?

description: This contains the original simulation data used by the paper 'Where is Region 1 field-aligned current generated?', which will appear in Journal of Geophysical Research - Space Physics. The data were obtained by the global MHD simulation (REPPU) with Level 6. The VTK file (Visualization Tookkit format) contains the physical variables in the magnetosphere at t = 244. 8 min as plasma pressure (P in nPa), velocity vector (V in km/s), current density vector (J in nA/m2), magnetic field vector (B in nT). The VTK file can be opened by Visualization Toolkit, and 3-D visualization software packages "VisIT", and "ParaView". The ASCII files named packet-position-P.txt and packet-position-Q.txt include lists of the position of the packet traced backward in time from the positions P and Q, respectively.
DOI: 10.6084/m9.figshare.16717297
title: Supplementary Material for: Strategy for Failed Transvenous Left Ventricular Lead Placement in Cardiac Resynchronization Therapy: Surrender or Struggle?

description: Medicine
DOI: 10.6084/m9.figshare.16717297.v1
title: Supplementary Material for: Strategy for Failed Transvenous Left Ventricular Lead Placement in Cardiac Resynchronization Therapy: Surrender or Struggle?

description: Medicine
DOI: 10.15151/esrf-es-541051119
title: Structural Biology at EMBL Grenoble, IBS-CIBB and IAB

description: The proposals covers a broad range of structural biology projects related to pathogen biology, host-pathogen interactions, RNA biology and structure-based drug development that are carried out by PIs at EMBL Grenoble, IBS-CIBB and IAB. The proposers have long-standing experience in the use, as well as the development of beam lines for macromolecular crystallography and have participated in successive BAG applications over the years, mostly at the ESRF but also at other synchrotrons (e.g. Soleil, Petra III, Diamond, SLS).
DOI: 10.15151/esrf-es-541147715
title: ITABAG: 3D structures of macromolecules related to human health

description: The ITABAG includes structural biologists from Universities, National Research Council and Hospital research centres in Italy. The laboratories apply various 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 and polymer association and formation of nanostructures.
DOI: 10.15151/esrf-es-542594509
title: Danish Biochemistry and Structural Biology BAG

description: This BAG application gathers most danish esrf users with the area of structural biochemistry (including both crystallography, cryoEM and SAXS). 4 PIs work with carbohydrate active enzymes of all classes, with particular focus on biotechnological applications and gut microbiota. 6 PIs work in the important membrane proteins area, with both receptors and transporters as main focus, almost all potential or current drug targets. Other groups (5 PIs) work on non membrane proteins which are also potential drug targets or anyway systems potentially involved in disease - enzymes, bacterial antibiotic resistance and survival, DNA binding proteins and other r egulators, immune system components. One crystallographic method development project is also included (1 PI), as are two bioSAXS projects (2 PIs) regarding fibrillation and formulation. Some PIs in the BAG work of course in several of these main research areas.
DOI: 10.15151/esrf-es-580828425
title: Nanometallurgy in levitating droplets: high entropy nanoparticles characterisation using pair distribution functions

description: Structure of multicomponent nanoparticles (NPs) prepared using co-sputtering in ionic liquids (ILs) were not characterised in detail. Nevertheless, information about crystal and local structure of NP/IL suspensions is important for understanding constitution of NPs as well as their time- and air-stability. In some cases, co-sputtered alloys undergo oxidation transformations as well as pre-synthesized single-element nanoparticles can be involved in reactions resulting in formation of multicomponent nanoalloys with complex local structure. Current project addresses important questions circulating around co-sputtered NPs stabilised in ILs. Namely, local structure, oxidation process and their reactions will be characterised using PDF to correlate with complementary SAXS and EXAFS data.
DOI: 10.15151/esrf-es-579526868
title: Local x-ray surface grain mapping of niobium

description: Our previous proposal on this subject was granted beamtime (HC-4065) and was performed as a remote experiment. Many different aspects concerning this experiment, like the sample and marker preparation, the remote organization and local nanoXRD measurements worked. Unfortunately, due to a leak in the oven and therefore severe unwanted oxidation, a vital part of the experiment could not be performed: we have no information about any structural surface changes after an anneal in pure nitrogen. Since this is crucial to the project, we ask for another 15 shifts of beamtime to complete our study. We refer to experimental report HC-4065 for details concerning the previous beamtime.
DOI: 10.15151/esrf-es-627469140
title: RIXS Investigation of superconducting cuprate YBa2Cu4O8

description: The double-chain cousin of the well known YBa2Cu3)4 compounds has not been throughly investigated so far. With our preliminare measurements we already found a charge density wave excitation that was unknown. We are planning to fully characterize it and also investigate the magnetic excitations as a function as the incident energy.
DOI: 10.15151/esrf-es-578176679
title: Simulating iron mineral precipitation in Early Earth oceans and their role in controlling phosphorous bioavailability

description: Green rust (GR) and greenalite are highly reactive, redox-sensitive iron (Fe) phases that are believed to have played a crucial role in cycling of Fe, key nutrients (e.g., P) and toxins (e.g., As) in Fe2+- and Si-rich deep Early Earth oceans ~2.4 billion years ago. Using an analogue of the Early Earth ‘seawater’, we followed the formation and transformation of GR and greenalite in the absence and presence of As and P. The combination of As and P is crucial because As(V) is a key competitor for phosphate, but highly toxic to all living cells. To assess to what extent the formation pathways of GR and greenalite in these early oceans would have shaped As toxicity and thus P bioavailability can tell us about how these processes affected the evolution of microbial processes (photosynthesis) and, ultimately, life as we know it today.
DOI: 10.15151/esrf-es-584353148
title: In situ Strcutral Study of Adsorbed NOx Molecules in two Redox-Active MOFs
DOI: 10.6084/m9.figshare.17090834
title: Supplementary Material for: Cognitive Predictors of Delirium on Long-Term Follow-Up after TIA and Stroke: Population-Based Cohort Study

description: <b><i>Introduction:</i></b> TIA and stroke cause cognitive impairment with a typical “vascular” pattern, including prominent frontal/executive deficits. Cognitive impairment is associated with increased delirium risk and the few available data suggest that executive dysfunction is important. We therefore determined the predictive value of both severity and pattern of cognitive deficits for delirium on long-term follow-up after TIA/stroke. <b><i>Methods:</i></b> Surviving TIA/stroke participants on October 1, 2013, in the Oxford Vascular Study (OXVASC) were assessed prospectively for delirium during all hospitalizations over the subsequent 6 months. Associations between OXVASC pre-admission mini-mental state examination (MMSE) and Montreal Cognitive Assessment (MoCA) scores, and delirium during hospitalizations on follow-up were determined using logistic regression adjusted for covariates, including demographic factors, history of depression, baseline stroke severity, and admission illness severity. <b><i>Results:</i></b> Among 1,565 TIA/stroke survivors, 158 patients (mean/SD age = 79.2/11.5 years) had ≥1 admission and 59 (37%) had ≥1 delirium episode. Mean/SD time between baseline TIA/stroke and admission was 4.7/3.6 years and between most recent OXVASC cognitive testing and admission was 1.7/1.8 years. MMSE and MoCA scores were associated with delirium: odds ratio (OR) = 1.16 (95% CI 1.07–1.27, <i>p</i> &lt; 0.0001 per point decrease in MMSE) and OR = 1.20 (1.11–1.30, <i>p</i> &lt; 0.0001 MoCA) and associations were robust to adjustment for all covariates, including stroke severity: OR = 1.11 (1.01–1.22, <i>p</i> = 0.03, MMSE) and OR = 1.15 (1.05–1.25, <i>p</i> = 0.003, MoCA). All 10 subtests on the MoCA and 4/11 on the MMSE were significantly associated with delirium with highest predictive value for frontal/executive and recall domains. <b><i>Conclusions:</i></b> Cognitive impairment of increasing severity after TIA/stroke predisposed to delirium particularly deficits in frontal/executive domains and recall. Long-term risk of delirium should be considered as part of the overall cerebrovascular disease burden.
DOI: 10.5281/zenodo.5729961
title: Dataset: Environment effects on X-ray absorption spectra with quantum embedded real-time Time-dependent density functional theory approaches

description: This dataset collects the outputs from real-time TDDFT simulation of X-ray absorption of halides in model systems, using the frozen density embedding (FDE) and block-orthogonalized Manby-Miller embedding (BOMME), as well as processing tools and scripts used to carry out the calculations.
DOI: 10.5281/zenodo.5729960
title: Dataset: Environment effects on X-ray absorption spectra with quantum embedded real-time Time-dependent density functional theory approaches

description: This dataset collects the outputs from real-time TDDFT simulation of X-ray absorption of halides in model systems, using the frozen density embedding (FDE) and block-orthogonalized Manby-Miller embedding (BOMME), as well as processing tools and scripts used to carry out the calculations.
DOI: 10.5281/zenodo.5733861
title: Changes in the Kuroshio path, surface velocity and transport during the last 35,000 years

description: The major data for “Changes in the Kuroshio path, surface velocity and transport during the last 35,000 years” are listed as follows: 1) The annual mean surface current (0-100m, m/s) in 5 cases. Data are separately saved in MATLAB files (surface_velocity_0ka.mat, surface_velocity_6ka.mat, surface_velocity_lgm.mat, surface_velocity_30ka.mat and surface_velocity_35ka.mat) with variables of longitude, latitude, u and v. 2) The Kuroshio paths (longitude and latitude) in 5 cases are saved in MATLAB file of “data_pathxy.mat”. 3) Distributions of upper 1000-m integrated volume-transport stream function from model results in 5 cases. Data is saved in the MATLAB file of “VT_model.mat” with variables of longitude, latitude, VT_model and casename. 3) Distributions of wind-driven Sverdrup transport stream function calculated by wind stresses in 5 cases. Data is saved in the MATLAB file of “ST_wind.mat” with variables of longitude, latitude, ST_wind and casename.
DOI: 10.5281/zenodo.5733860
title: Changes in the Kuroshio path, surface velocity and transport during the last 35,000 years

description: The major data for “Changes in the Kuroshio path, surface velocity and transport during the last 35,000 years” are listed as follows: 1) The annual mean surface current (0-100m, m/s) in 5 cases. Data are separately saved in MATLAB files (surface_velocity_0ka.mat, surface_velocity_6ka.mat, surface_velocity_lgm.mat, surface_velocity_30ka.mat and surface_velocity_35ka.mat) with variables of longitude, latitude, u and v. 2) The Kuroshio paths (longitude and latitude) in 5 cases are saved in MATLAB file of “data_pathxy.mat”. 3) Distributions of upper 1000-m integrated volume-transport stream function from model results in 5 cases. Data is saved in the MATLAB file of “VT_model.mat” with variables of longitude, latitude, VT_model and casename. 3) Distributions of wind-driven Sverdrup transport stream function calculated by wind stresses in 5 cases. Data is saved in the MATLAB file of “ST_wind.mat” with variables of longitude, latitude, ST_wind and casename.
DOI: 10.6084/m9.figshare.17054405
title: Psychedelic Clinical Studies - Bibliometric Dataset

description: Dataset for a bibliometric analysis of journal articles reporting findings from clinical studies of the psychedelics 5-methoxy-N, N-dimethyltryptamine (5-MeO-DMT), ayahuasca, dimethyltryptamine (DMT), ibogaine, lysergic acid diethylamide (LSD), mescaline, MDMA, and psilocybin published from 1965-2018.<br><br>This data accompanies our article:<br><b>Bibliometric Analysis of Academic Journal Articles Reporting Results of Psychedelic Clinical Studies</b>Jeremy Weleff, Teddy J. Akiki, Brian S. Barnett<i>medRxiv</i> 2021.11.22.21266718DOI: https://doi.org/10.1101/2021.11.22.21266718<br><br><br>
DOI: 10.6084/m9.figshare.16722775
title: Supplementary Material for: Follow-up study of growth hormone therapy in children with Kabuki Syndrome: Two-year treatment results.

description: Medicine
DOI: 10.6084/m9.figshare.17090891
title: Supplementary Material for: Sex Differences in the Association between Different Obesity Parameters and Cognitive Function in Older Adults: A Cross-Sectional Study in Rural China

description: <b><i>Background:</i></b> Early identification of risk factors for cognition decline may contribute to the interventions for Alzheimer’s disease. Obesity is a common modifiable risk factor for chronic diseases. The association between obesity and cognition in older adults is limited, and sex differences in this area have not been well recognized. <b><i>Objective:</i></b> The aim of the study was to observe the sex differences in the relationship between obesity and cognition in a rural community-dwelling older population of Guizhou, China. <b><i>Methods:</i></b> Data were gathered from the baseline survey of a cohort study of older people in rural areas of Guizhou, China. Demographic and behavioral data (sex, age, education, household income, smoking history, drinking history, history of head injury, diet, and level of physical exercise time) were collected. The Mini-Mental State Examination (MMSE) was used to assess cognitive function. Body mass index (BMI), waist circumference (WC), hip circumference (HC), and waist-to-hip ratio (WHR) were used as different measures of obesity. Comparisons between the groups were made by the Wilcoxon rank-sum test or Kruskal-Wallis H test. Restricted cubic spline regression was used to examine a dose-response relationship between obesity indicators and cognitive function. Linear relationships were performed by the multivariable linear regression model. <b><i>Results:</i></b> A total of 1,654 participants including 964 women and 690 men were enrolled in this study. After adjustment, BMI showed a nonlinear relationship with MMSE scores in women. There was a significant trend toward increasing MMSE scores at the low end of BMI (13.52–20.10 kg/m<sup>2</sup>, <i>p</i> = 0.014). The multivariable linear regression model showed that MMSE increased by 0.631 (<i>p</i> &lt; 0.001) for every one standard deviation increase in HC in women. No association was found between obesity parameters and cognitive function in men. <b><i>Conclusion:</i></b> Our results suggest that there are significant sex differences in some obesity parameters and cognition in an older Chinese population. BMI and HC are positively associated with cognitive function in women. No association was found between obesity measures and cognitive function in men.
DOI: 10.6084/m9.figshare.17090888
title: Supplementary Material for: Comparative Analysis of Postoperative Complications after Cytoreductive Surgery and HIPEC in Gastric Cancer

description: <b><i>Introduction:</i></b> Patients with advanced gastric cancer (AGC) frequently show peritoneal carcinomatosis (PC). PC reduces life expectancy and quality of life. Cytoreductive surgery (CRS) with hyperthermic intraperitoneal chemotherapy (HIPEC) has been shown to improve overall survival. Nevertheless, it has been reported that CRS and HIPEC are accompanied by an increase in postoperative complications. The purpose of this study was to investigate the complications associated with CRS and HIPEC and overall and disease-free survival. <b><i>Methods:</i></b> Patients with AGC and PC, who received complete CRS and HIPEC, were included in the HIPEC group (<i>n</i> = 15). Patients with AGC but without PC, who received resection of the primary tumor alone, constituted the control group (<i>n</i> = 43). <b><i>Results:</i></b> Patients enrolled in the HIPEC group presented with a median PCI of 7. In comparison with the control group, no differences were found in patient characteristics, risk factors, pathological findings, and operative procedures. Twenty-five percentage of the patients in both groups suffered from serious postoperative complications (CDC ≥3a). Surgical and medical complications, rate of reoperation, and mortality did not differ. Also, the recurrence pattern, median survival, and 1- and 2-year survival rates showed no differences. <b><i>Conclusion:</i></b> CRS and HIPEC do not lead to an increased postoperative morbidity and mortality in AGC with PC. Albeit the poorer prognosis of patients with PC, survival of both groups was comparable.
DOI: 10.5517/ccdc.csd.cc27tjm7
title: CCDC 2080119: Experimental Crystal Structure Determination

description: Related Article: Tobias Taeufer, Miguel A. Argüello Cordero, Andranik Petrosyan, Annette-E. Surkus, Stefan Lochbrunner, Jola Pospech|2021|ChemPhotoChem|5|999|doi:10.1002/cptc.202100159
DOI: 10.5517/ccdc.csd.cc27tjn8
title: CCDC 2080120: Experimental Crystal Structure Determination

description: Related Article: Tobias Taeufer, Miguel A. Argüello Cordero, Andranik Petrosyan, Annette-E. Surkus, Stefan Lochbrunner, Jola Pospech|2021|ChemPhotoChem|5|999|doi:10.1002/cptc.202100159
DOI: 10.5517/ccdc.csd.cc27tjp9
title: CCDC 2080121: Experimental Crystal Structure Determination

description: Related Article: Tobias Taeufer, Miguel A. Argüello Cordero, Andranik Petrosyan, Annette-E. Surkus, Stefan Lochbrunner, Jola Pospech|2021|ChemPhotoChem|5|999|doi:10.1002/cptc.202100159
DOI: 10.5517/ccdc.csd.cc27wc3m
title: CCDC 2081870: Experimental Crystal Structure Determination

description: Related Article: Tobias Taeufer, Miguel A. Argüello Cordero, Andranik Petrosyan, Annette-E. Surkus, Stefan Lochbrunner, Jola Pospech|2021|ChemPhotoChem|5|999|doi:10.1002/cptc.202100159
DOI: 10.5517/ccdc.csd.cc2812v8
title: CCDC 2086419: Experimental Crystal Structure Determination

description: Related Article: Jeremy T. Maddigan-Wyatt, Mitchell T. Blyth, Jhi Ametovski, Michelle L. Coote, Joel F. Hooper, David W. Lupton|2021|Chem.-Eur.J.|27|16232|doi:10.1002/chem.202103224
DOI: 10.5517/ccdc.csd.cc289w4m
title: CCDC 2094860: Experimental Crystal Structure Determination

description: Related Article: Shinobu Arikawa, Akihiro Shimizu, Daisuke Shiomi, Kazunobu Sato, Ryo Shintani|2021|J.Am.Chem.Soc.|143|19599|doi:10.1021/jacs.1c10151
DOI: 10.5517/ccdc.csd.cc28hxk8
title: CCDC 2100670: Experimental Crystal Structure Determination

description: Related Article: Xiumei Liu, Wenhua Xu, Fang Fang, Nengni Xu, Zhishuang Lin, Xinjun Luan, Jinfeng Zhang, Hui Wang|2021|Org.Lett.|23|8662|doi:10.1021/acs.orglett.1c02841
DOI: 10.21942/uva.17087408
title: SPSS_KEA_v16_26-11-2021_BASIS_BESTAND.sav

description: This SPSS shows the patients caracteristics, operation characteristics, subjective cure, objective cure, quality of life, adverse events, additional visits, postoperative pain killers, productivity loss, travel costs, and all abovementioned associated costs, in order to investigate the costeffectiveness of bulking agent Urolastic versus Mid-urethral sling surgery for female stress urinary incontinence
DOI: 10.21942/uva.17087408.v1
title: SPSS_KEA_v16_26-11-2021_BASIS_BESTAND.sav

description: This SPSS shows the patients caracteristics, operation characteristics, subjective cure, objective cure, quality of life, adverse events, additional visits, postoperative pain killers, productivity loss, travel costs, and all abovementioned associated costs, in order to investigate the costeffectiveness of bulking agent Urolastic versus Mid-urethral sling surgery for female stress urinary incontinence
DOI: 10.15151/esrf-es-580823920
title: Characterising the micellar pathway of micro-swimmer dynamics

description: Microswimmers are spontaneously moving droplets that can mimic much of the behaviour of simple forms of life, such as swarming, flocking and chemotaxis, in an abiotic system. This project focusses on oil-in-water micro-swimmers, which are self-propelled droplets of liquid crystal. Their motions are powered by the gradual transfer of oil into surfactant micelles, which then swell in size. However, several such transport mechanisms are possible: a direct observation of the size-distribution of micelles would allow discrimination between these mechanisms, and quantification of e.g. their reaction kinetics. Our aim is to achieve such direct measurement with SAXS of a the time-evolution of micelles in a diffusive boundary layer above a well-defined oil-water interface. This would settle the question of why these micro-swimmers actually swim, and allow for exploration of new physics with these systems by the rational design of their properties.