cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15151/esrf-es-1305995879
title: Structural basis of GPCR activation mechanism by using photoswitchable ligand, and time-resolved X-ray diffraction

description: This project aims at deciphering the structural dynamics of G protein-coupled receptor (GPCRS) seven transmembrane domain (7TM) bound to a photoswitchable ligand and to decipher the structural basis of GPCRs activity. Photopharmacology is a new approach that allows controlling receptor activity by combining light-operated ligands and light stimulation. Photoswitchable ligands offer the possibility to explore the conformational dynamics of GPCRs activation mechanisms. We will combine GPCR photoswitchable ligand and time-resolved X-ray crystallography to decipher light-induced 7TM conformational changes and side-chain motions that define the structural basis of GPCR activity. Finally, GPCRs are validated drug target and their dysfunction is associated to numerous pathologies and neurologic disorders. This project will opens doors to structure-based drug design taking into account the knowledge of mGlu5 7TM structural dynamics.
DOI: 10.15151/esrf-es-1305994953
title: In-situ structural investigation of the mechanism of electrochemical graphite transformation into graphite oxide

description: The proposed project is focused on the study of the mechanism of electrochemical method of graphite oxide synthesis. Electrochemical oxidation of graphite during in certain concentrations of sulphuric acid is known method to produce graphite oxide (GO).However, the chemical mechanism and detailed understanding of structural changes which occur in process of GO formation were examined by experimental studies. The main goal of the project is in-situ study of electrochemical GO formation in aqueous H2SO4 and HClO4 electrolytes. It is expected that the mechanism of graphite electrochemical overoxidation is more complex than one proposed in literature based on ex situ studies of reaction products. The new findings and conclusions will contribute to fundamental understanding of electrochemical oxidation of graphite and contribute to more wide use of electrochemical oxidation to produce high quality graphite/graphene oxide.
DOI: 10.15151/esrf-es-1315705857
title: Hybrid Luminescent Materials of Nano-Sized Metal Halide Clusters in Metal-Organic and Covalent Organic Reticular Templates

description: We explore various reticular porous materials, such as metal-organic and covalent organic frameworks and polyhedra as molecular templates for formation of confined atomically defined nano-sized solid-state structures within the pores by incorporation of main group metal halide (MH) compounds. MH materials are known to exhibit exceptional luminescence and other optoelectronic properties. Single crystals of the porous materials can be employed as molecular templates for crystallizing MHs within the cavities. In this way, geometry, functionality, electric charge and topology of the pores determines the structure of resulting MH nano-sized units, what might enable rational synthesis of desired solids and gives access to structures which are not known to form otherwise, and thus further tailoring optoelectronic properties. Our current work focuses on explorations of various frameworks and polyhedra and MHs as hosts and guests, respectively, offering vast compositional and structural space.
DOI: 10.14469/hpc/12935
title: redel2(-3633.361489) M062X/Def2-SVPP, triplet G = -3633.355720

description: Gaussian 16 (C01) calculation
DOI: 10.14469/hpc/12936
title: metat2(-3633.367151) PhI reactant, M062X/Def2-SVPP, G = -528.925870

description: Gaussian 16 (C01) calculation
DOI: 10.15151/esrf-es-1326150197
title: In-situ analysis of SAGBO in Ni superalloy

description: In-situ analysis of SAGBO in Ni superalloy
DOI: 10.34740/kaggle/dsv/6474501
title: Global Cypto Currency Price Database
DOI: 10.57903/uj/pq8huj
title: European football league concentration ratios for the seasons 2015/16 – 2021/22 (Supplementary material to the article 'The Influence of the Domestic League Design on Football Clubs' International Competitiveness')

description: The dataset includes measures of concentration ratios (C2ICB – C2-Index for Competitive Balance, C3ICB, C4ICB, and C5ICB) for the top two, top three, top four, and top five teams within all the European football leagues during the seasons from 2015/16 to 2021/22.
DOI: 10.6084/m9.figshare.24145226
title: Table S1 from Trophic distribution of nutrient production in coral reef fisheries

description: Mean % contribution of herbivores and piscivores to fishery services in each country, with lower and upper ranges (SEM).
DOI: 10.6084/m9.figshare.24145226.v1
title: Table S1 from Trophic distribution of nutrient production in coral reef fisheries

description: Mean % contribution of herbivores and piscivores to fishery services in each country, with lower and upper ranges (SEM).
DOI: 10.5519/qd.awnjafyb
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (5668718 records)
DOI: 10.25934/pr00003631.1
title: Available IPD datapackage for study 'A Phase III Double-blind, Extension, Placebo-controlled Parallel Group Safety and Efficacy Trial of BI 10773 (10 and 25mg Once Daily) and Sitagliptin (100mg Once Daily) Given for Minimum 76 Weeks (Incl. 24 Weeks of Preceding Trial) as Monotherapy or With Different Back-ground Therapies in Patients With Type 2 Diabetes Mellitus Previously Completing Trial 1245.19, 1245.20 or 1245.23'

description: This study will investigate the efficacy and long term safety and tolerability of BI 10773 in type 2 diabetic patients.
DOI: 10.6084/m9.figshare.24145235
title: Article Data from Dominance of photo over chromatic acclimation strategies by habitat-forming mesophotic red algae

description: Article data
DOI: 10.6084/m9.figshare.24145235.v1
title: Article Data from Dominance of photo over chromatic acclimation strategies by habitat-forming mesophotic red algae

description: Article data
DOI: 10.4121/9c8cf649-7617-42e2-a9b1-a32d5f483964
title: Acoustic data of a small-scale rotor at four advance ratios -- including hover

description: Data and the experimental acquisition procedure are described in the following publication:Baars, W.J., Ragni, D. (2023) Low-frequency intensity modulation of high-frequency rotor noise. AIAA-2023-3215.<br>Data comprise timeseries of the acoustic pressure, acquired at a grid of positions spanning the near- and far-fields of a small-scale rotor. Various operating conditions of the rotor are considered: one hovering condition (zero advance ratio), and three forward flight conditions (non-zero advance ratios). These data allow for studying the noise imprint of small-scale rotors.<br>
DOI: 10.4121/9c8cf649-7617-42e2-a9b1-a32d5f483964.v1
title: Acoustic data of a small-scale rotor at four advance ratios -- including hover

description: Data and the experimental acquisition procedure are described in the following publication:Baars, W.J., Ragni, D. (2023) Low-frequency intensity modulation of high-frequency rotor noise. AIAA-2023-3215.<br>Data comprise timeseries of the acoustic pressure, acquired at a grid of positions spanning the near- and far-fields of a small-scale rotor. Various operating conditions of the rotor are considered: one hovering condition (zero advance ratio), and three forward flight conditions (non-zero advance ratios). These data allow for studying the noise imprint of small-scale rotors.<br>
DOI: 10.25442/hku.24062001
title: Supporting data for "Molecular epidemiology of Lactococcus garvieae from food and human samples"

description: The dataset file contained the metadata of the <i>L. garvieae</i>-like isolates collected in this study including the results of bioinformatic analysis of the genomes, such as digital DNA-DNA hybridisation, fastANI, PopPUNK clustering, predicted putative virulence factors, and antibiotic resistance genes are also included. The results for the species differentiating multiplex PCR and ClinProTools mass spectra classifying model are also included. These data are included in "HKU Isolate" sheet<br>Metadata of all genomes used in this study are included in "Genomes" sheet.
DOI: 10.25442/hku.24062001.v1
title: Supporting data for "Molecular epidemiology of Lactococcus garvieae from food and human samples"

description: The dataset file contained the metadata of the <i>L. garvieae</i>-like isolates collected in this study including the results of bioinformatic analysis of the genomes, such as digital DNA-DNA hybridisation, fastANI, PopPUNK clustering, predicted putative virulence factors, and antibiotic resistance genes are also included. The results for the species differentiating multiplex PCR and ClinProTools mass spectra classifying model are also included. These data are included in "HKU Isolate" sheet<br>Metadata of all genomes used in this study are included in "Genomes" sheet.
DOI: 10.6084/m9.figshare.22313074
title: dataset

description: data
DOI: 10.25949/24123306
title: Public data files containing the data used for the ChatGPT survey (XLSX) and the survey containing variable selection codes (DOCX).

description: This project investigated teacher attitudes towards Generative Artificial Intelligence Tools (GAITs). In excess of three hundred teachers were surveyed across a broad variety of teaching levels, demographic areas, experience levels, and disciplinary areas, to better understand how they believe teaching and assessment should change as a result of GAITs such as ChatGPT.Teachers were invited to complete an online survey relating to their perceptions of the open Artificial Intelligence (AI) tool ChatGPT, and how it will influence what they teach and how they assess. The purpose of the study is to provide teachers, policymakers, and society at large with an understanding of the potential impact of tools such as ChatGPT on Education.This dataset contains public data files used for the ChatGPT survey (XLSX) and the survey containing variable selection codes (DOCX). See the second sheet of the XLSX file for variable descriptions.<br>
DOI: 10.6084/m9.figshare.24137931
title: land use demand prediction

description: This section primarily consists of the implementation code for the model.
DOI: 10.6084/m9.figshare.24137931.v2
title: land use demand prediction

description: This section primarily consists of the implementation code for the model.
DOI: 10.5517/ccdc.csd.cc21vr3s
title: CCDC 1902535: Experimental Crystal Structure Determination

description: Related Article: Mokshada Varma, Vinod Ugale, Javeria Shaukat, Michael Hollmann, Padmaja Shete, Bhupendra Shravage, Sakharam Tayade, Avinash Kumbhar, Ray Butcher, Vinod Jani, Uddhavesh Sonavane, Rajendra Joshi, Deepak Lokwani, Prasad Kulkarni|2023|Eur.J.Pharmacol.|957|176028|doi:10.1016/j.ejphar.2023.176028
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc21vr4t
title: CCDC 1902536: Experimental Crystal Structure Determination

description: Related Article: Mokshada Varma, Vinod Ugale, Javeria Shaukat, Michael Hollmann, Padmaja Shete, Bhupendra Shravage, Sakharam Tayade, Avinash Kumbhar, Ray Butcher, Vinod Jani, Uddhavesh Sonavane, Rajendra Joshi, Deepak Lokwani, Prasad Kulkarni|2023|Eur.J.Pharmacol.|957|176028|doi:10.1016/j.ejphar.2023.176028
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2f422r
title: CCDC 2238233: Experimental Crystal Structure Determination

description: Related Article: Jonathan B. Lefton, Wenhao Liu, Claire McGuire, Bing Lv, Craig M. Brown, Ryan A. Klein, Tomče Runčevski|2023|J.Phys.Chem.Solids|182|111568|doi:10.1016/j.jpcs.2023.111568
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2f423s
title: CCDC 2238234: Experimental Crystal Structure Determination

description: Related Article: Jonathan B. Lefton, Wenhao Liu, Claire McGuire, Bing Lv, Craig M. Brown, Ryan A. Klein, Tomče Runčevski|2023|J.Phys.Chem.Solids|182|111568|doi:10.1016/j.jpcs.2023.111568
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2g70zq
title: CCDC 2270873: Experimental Crystal Structure Determination

description: Related Article: Nuno Reis Conceição, Abdallah G. Mahmoud, M.Fátima C. Guedes da Silva, Kamran T. Mahmudov, Armando J.L. Pombeiro|2023|Mol.Catal.|549|113512|doi:10.1016/j.mcat.2023.113512
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ggzc9
title: CCDC 2278511: Experimental Crystal Structure Determination

description: Related Article: Kang Xu, Can Wang, Yuan Zhou, Yue Zhang, Yunfeng Chen|2023|Dyes Pigm.|220|111654|doi:10.1016/j.dyepig.2023.111654
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ggzdb
title: CCDC 2278512: Experimental Crystal Structure Determination

description: Related Article: Kang Xu, Can Wang, Yuan Zhou, Yue Zhang, Yunfeng Chen|2023|Dyes Pigm.|220|111654|doi:10.1016/j.dyepig.2023.111654
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ggzfc
title: CCDC 2278513: Experimental Crystal Structure Determination

description: Related Article: Kang Xu, Can Wang, Yuan Zhou, Yue Zhang, Yunfeng Chen|2023|Dyes Pigm.|220|111654|doi:10.1016/j.dyepig.2023.111654
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ggzgd
title: CCDC 2278514: Experimental Crystal Structure Determination

description: Related Article: Kang Xu, Can Wang, Yuan Zhou, Yue Zhang, Yunfeng Chen|2023|Dyes Pigm.|220|111654|doi:10.1016/j.dyepig.2023.111654
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ggzlj
title: CCDC 2278518: Experimental Crystal Structure Determination

description: Related Article: Kang Xu, Can Wang, Yuan Zhou, Yue Zhang, Yunfeng Chen|2023|Dyes Pigm.|220|111654|doi:10.1016/j.dyepig.2023.111654
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ggzmk
title: CCDC 2278519: Experimental Crystal Structure Determination

description: Related Article: Kang Xu, Can Wang, Yuan Zhou, Yue Zhang, Yunfeng Chen|2023|Dyes Pigm.|220|111654|doi:10.1016/j.dyepig.2023.111654
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ggzpm
title: CCDC 2278521: Experimental Crystal Structure Determination

description: Related Article: Kang Xu, Can Wang, Yuan Zhou, Yue Zhang, Yunfeng Chen|2023|Dyes Pigm.|220|111654|doi:10.1016/j.dyepig.2023.111654
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2ggzqn
title: CCDC 2278522: Experimental Crystal Structure Determination

description: Related Article: Kang Xu, Can Wang, Yuan Zhou, Yue Zhang, Yunfeng Chen|2023|Dyes Pigm.|220|111654|doi:10.1016/j.dyepig.2023.111654
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.6084/m9.figshare.24145278
title: The effect of curcumin on exercise-induced muscle damage

description: This study aimed to investigate the effect of a multi-ingredient supplement (MIS), containing turmeric and apple extracts, imidazole-containing dipeptides, and multimineral powder, on markers of muscle damage in collegiate male players following a rugby match.
DOI: 10.6084/m9.figshare.24145227
title: Retirement Resources Data.xlsx

description: RETIREMENT RESOURCES DATA
DOI: 10.5519/qd.av0e4uhf
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (692998 records)
DOI: 10.6084/m9.figshare.24145290
title: Supplementary Material for: Disease burden and epidemiological trends of chronic kidney disease at the global, regional, national levels from 1990 to 2019

description: Background: Chronic kidney disease (CKD) is a serious public health issue worldwide, but the disease burden of CKD caused by different etiologies and changing trends have not been fully examined. Methods: We collected data from Global Burden of Disease Study 2019 (GBD 2019), including incident cases, age-standardized incidence rate (ASIR), disability-adjusted life years (DALYs), and age-standardized DALY rate between 1990 and 2019 by region, etiology, age, and sex, and calculated the estimated annual percentage change (EAPC) of the rate to evaluate the epidemiological trends. Results: Globally, incident cases of CKD increased from 7.80 million in 1990 to 18.99 million in 2019, and DALYs increased from 21.50 million to 41.54 million. ASIR increased with an EAPC of 0.69 (95% UI 0.49-0.89) and reached 233.65 per 100,000 in 2019, while the age-standardized DALY rate increased with an EAPC of 0.30 (95% UI 0.17-0.43) and reached 514.86 per 100,000. North Africa and Middle East, central Latin America and North America had the highest ASIR in 2019. Central Latin America had the highest age-standardized DALY rate meanwhile. Almost all countries experienced an increase in ASIR, and over 50% of countries had an increasing trend in age-standardized DALY rate from 1990 to 2019. CKD due to diabetes mellitus type 2 and hypertension accounted for the largest disease burden with 85% incident cases and 66% DALYs in 2019 of known causes, with the highest growth in age-standardized DALY rate and a similar geographic pattern to that of total CKD. Besides, the highest incidence rate of total and four specific CKDs were identified in people aged 70-plus years, who also had the highest DALY rate with a stable trend after 2010. Females had a higher ASIR, while males had a higher age-standardized DALY rate, the gap of which was most distinctive in CKD due to hypertension. Conclusion: The disease burden of CKD remains substantial and continues to grow globally. From 1990 to 2019, global incident cases of CKD have more than doubled and DALYs have almost doubled and surpassed 40 million years. CKD due to diabetes mellitus type 2 and hypertension contribute nearly 2/3 DALYs in 2019 of known causes, and had witnessed the highest growth in age-standardized DALY rate. Etiology-specific prevention strategies should be placed a high priority on the goal of precise control of CKD.