cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2gj157
title: CCDC 2279528: Experimental Crystal Structure Determination

description: Related Article: Matthias Schnitzlein, Kazutaka Shoyama, Frank Würthner|2024|Chemical Science|15|2984|doi:10.1039/D3SC05171D
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.cc2hjttp
title: CCDC 2310083: Experimental Crystal Structure Determination

description: Related Article: Qian Zhang, Hao Zheng, Jie Zhou, Jia-Ji Yang, Kai-Yue Xu, Lian-Yun Shen, Zong-Jie Guan, Yang Yang|2024|Chem.Commun.|60|2389|doi:10.1039/D3CC05791G
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.cc2hk6lw
title: CCDC 2310448: Experimental Crystal Structure Determination

description: Related Article: Manuel Hertzog, Robert Eichelmann, Pierre Jeudy, Tobias Wesp, Joachim Ballmann, Simon Settele, Finn L. Sebastian, Andreas Mischok, Florian Le Roux, Francisco Tenopala-Carmona, Malte C. Gather, Lutz H. Gade, Jana Zaumseil|2024|J.Mater.Chem.C|12|2745|doi:10.1039/D3TC04653B
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.cc2hk6mx
title: CCDC 2310449: Experimental Crystal Structure Determination

description: Related Article: Manuel Hertzog, Robert Eichelmann, Pierre Jeudy, Tobias Wesp, Joachim Ballmann, Simon Settele, Finn L. Sebastian, Andreas Mischok, Florian Le Roux, Francisco Tenopala-Carmona, Malte C. Gather, Lutz H. Gade, Jana Zaumseil|2024|J.Mater.Chem.C|12|2745|doi:10.1039/D3TC04653B
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.cc2hk6ny
title: CCDC 2310450: Experimental Crystal Structure Determination

description: Related Article: Manuel Hertzog, Robert Eichelmann, Pierre Jeudy, Tobias Wesp, Joachim Ballmann, Simon Settele, Finn L. Sebastian, Andreas Mischok, Florian Le Roux, Francisco Tenopala-Carmona, Malte C. Gather, Lutz H. Gade, Jana Zaumseil|2024|J.Mater.Chem.C|12|2745|doi:10.1039/D3TC04653B
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.cc2hk6pz
title: CCDC 2310451: Experimental Crystal Structure Determination

description: Related Article: Manuel Hertzog, Robert Eichelmann, Pierre Jeudy, Tobias Wesp, Joachim Ballmann, Simon Settele, Finn L. Sebastian, Andreas Mischok, Florian Le Roux, Francisco Tenopala-Carmona, Malte C. Gather, Lutz H. Gade, Jana Zaumseil|2024|J.Mater.Chem.C|12|2745|doi:10.1039/D3TC04653B
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.cc2hk6q0
title: CCDC 2310452: Experimental Crystal Structure Determination

description: Related Article: Manuel Hertzog, Robert Eichelmann, Pierre Jeudy, Tobias Wesp, Joachim Ballmann, Simon Settele, Finn L. Sebastian, Andreas Mischok, Florian Le Roux, Francisco Tenopala-Carmona, Malte C. Gather, Lutz H. Gade, Jana Zaumseil|2024|J.Mater.Chem.C|12|2745|doi:10.1039/D3TC04653B
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.cc2hk6jt
title: CCDC 2310446: Experimental Crystal Structure Determination

description: Related Article: Felix Bernt, Christopher M. Leonhardt, Dominic Schatz, Hermann Wegner|2024|Chem.Commun.|||doi:10.1039/D3CC06225B
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.cc23cwv7
title: CCDC 1947849: Experimental Crystal Structure Determination

description: Related Article: Muhammad Ehtisham Ibraheem Khan, Muhammad Ashfaq, Muhammad Nawaz Tahir, Khurram Shahzad Munawar, Khurshid Ayub, Faisal Nawaz, Muhammad Yar, Kashif Husnain|2024|J.Mol.Struct.|1304|137689|doi:10.1016/j.molstruc.2024.137689
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.cc2hkv20
title: CCDC 2311052: Experimental Crystal Structure Determination

description: Related Article: Xin-Nan Zhou, Xin Yang, Zi-Xiu Lu, Zi-Ang Nan, You-Gui Huang|2024|J.Mol.Struct.|1305|137721|doi:10.1016/j.molstruc.2024.137721
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.cc2hkv31
title: CCDC 2311053: Experimental Crystal Structure Determination

description: Related Article: Xin-Nan Zhou, Xin Yang, Zi-Xiu Lu, Zi-Ang Nan, You-Gui Huang|2024|J.Mol.Struct.|1305|137721|doi:10.1016/j.molstruc.2024.137721
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: 10.21227/ez3g-xz40
title: Dataset for various grit-size Abrasive sheets

description: The dataset comprises image files of size 640 x 480 pixels for various grit sizes of Abrasive sheets. The data collected is raw. It can be used for analysis, which requires images for surface roughness. The dataset consists of a total of 8 different classes of surface coarseness. There are seven classes viz. P80, P120, P150, P220, P320, P400, P600 as per FEPA (Federation of European Producers of Abrasives) numbering system and one class viz. 60 as per ANSI (American National Standards Institute) standards numbering system for abrasive sheets.
DOI: 10.13140/rg.2.2.17978.98241
title: Creators and performers' direct remuneration rights: South Africa; Report to Max Planck Institute for Innovation and Competition, Munich; Project on creators and performers' direct remuneration rights; 14 February 2024
DOI: 10.13140/rg.2.2.31400.75529
title: Creators and performers' direct remuneration rights: South Africa; Report to Max Planck Institute for Innovation and Competition, Munich; Project on creators and performers' direct remuneration rights; 14 February 2024
DOI: 10.5281/zenodo.10695302
title: When and Where does Irrigation Water Originate? Leveraging Stable Water Isotopes and Synthetic Aperture Radar to Assess the Complex Hydrology of a Snow-Dominated Catchment in Southwestern Montana

description: This dataset accompanies research conducted in 'When and Where does Irrigation Water Originate? Leveraging Stable Water Isotopes and Synthetic Aperture Radar to Assess the Complex Hydrology of a Snow-Dominated Catchment in Southwestern Montana.' 

The dataset includes:



stable water isotope values from water and snow samples collected in WY23 in the Mill Creek basin in Park county, Montana (isotope_data.csv)

python notebook for Synthetic Sperture Radar (SAR) data processing for snowmelt timing analysis over the Mill Creek basin between 2015-2023 (sar_processing.ipyb)

accompanying inputs and directories for the SAR processing code (all others)
DOI: 10.5281/zenodo.10695303
title: When and Where does Irrigation Water Originate? Leveraging Stable Water Isotopes and Synthetic Aperture Radar to Assess the Complex Hydrology of a Snow-Dominated Catchment in Southwestern Montana

description: This dataset accompanies research conducted in 'When and Where does Irrigation Water Originate? Leveraging Stable Water Isotopes and Synthetic Aperture Radar to Assess the Complex Hydrology of a Snow-Dominated Catchment in Southwestern Montana.' 

The dataset includes:



stable water isotope values from water and snow samples collected in WY23 in the Mill Creek basin in Park county, Montana (isotope_data.csv)

python notebook for Synthetic Sperture Radar (SAR) data processing for snowmelt timing analysis over the Mill Creek basin between 2015-2023 (sar_processing.ipyb)

accompanying inputs and directories for the SAR processing code (all others)
DOI: 10.6084/m9.figshare.25231688
title: SCC++ classification result on `character count &gt;= 26, line count &gt;= 2`

description: SCC classification result on `character count &gt;= 26, line count &gt;= 2`
DOI: 10.6084/m9.figshare.25231688.v2
title: SCC++ classification result on `character count &gt;= 26, line count &gt;= 2`

description: SCC classification result on `character count &gt;= 26, line count &gt;= 2`
DOI: 10.6084/m9.figshare.25231688.v1
title: SCC++ classification result on `character count &gt;= 26, line count &gt;= 2`

description: SCC classification result on `character count &gt;= 26, line count &gt;= 2`
DOI: 10.6084/m9.figshare.25264888.v1
title: DATA.xlsx

description: Title of paper: Inundation increased the organic carbon release from the riparian litter into riverIncluding ambitent data and organic carbon content
DOI: 10.18144/5c5b3e5e-f1af-4b82-a878-da2e63b81ea9
title: Eléments structuraux - version 2023

description: Localisation et caractérisation (type, âge supposé des derniers mouvements majeurs) des structures tectoniques identifiées principalement à partir des données de sismique réflexion, anomalies magnétiques et gravimétriques, anciennes cartes et publications
DOI: 10.15151/esrf-es-1409599658
title: Belgium BAG

description: The Belgium BAG includes groups situated at four Flemish universities: Antwerpen, Brussels, Ghent and Leuven. The proposed projects are highly diverse, including viral, prokaryotic and eukaryotic proteins with a strong focus on targets and processes of biomedical relevance. Many projects deal with membrane proteins, cell surface receptors and protein-protein complexes. Central to the research in the BAG associated groups is the employment of integrative methods in structural biology combining X-ray crystallography, SAXS, and electron microscopy. Many crystals in the various proposed projects are small in size and radiation sensitive, requiring the use of the high brilliance MX beam lines, preferably with micro-focused X-rays.
DOI: 10.15151/esrf-es-1413589248
title: Structural Biology BAG - Portugal

description: The Portuguese MX BAG includes 16 PIs from three different institutions. Our research interests include soluble and membrane proteins of biomedical interest from humans or pathogenic organisms, several of which can be drug targets. Focus is also given to structural enzymology, aimed at the elucidation of reaction mechanisms, active sites, and inhibition tolerance in proteins with potential biotechnology applications. In several cases, complementary structural biology approaches are being used, combining MX with SAXS and CryoEM.
DOI: 10.15151/esrf-es-1512155478
title: Protein dynamics of resurrected ancestral enzymes studied by crystallography

description: Adaptation of organisms to environmental niches is a hallmark of evolution. One prevalent example is that of thermal adaptation, where in two descendants evolve at
different temperature extremes. How dynamical changes due to adaptive mutations are allosterically propagated to the active site, to modulate activity, in different
thermally adapted enzyme is not known. To address this question we analyze the properties of resurrected ancestral enzymes engaged in a thermal adaptation route
we recapitulated. We will solve the crystal structure several billions-years old enzymes and we will explore their dynamical properties following X-rays data
collection at various temperature. We expect describing the evolutionary-driven reorganization of contacts network that are required to conserve appropriate
conformational stability and efficient functional dynamics during the early steps of an enzyme adaptive process.
DOI: 10.15151/esrf-es-1443218085
title: In-situ structural analysis of calcium alumino-ferrite formation

description: Portland cement generates about 0.8 tons of CO2 per cement ton, which contributes to ~7% of total CO2 emissions. Cements with a low-CO2 footprint include Fe-rich (or Ca2FeAlO5-rich or in cement notation C4AF-rich) cement manufactured using industrial wastes such as iron slags, which reduce cement clinkering temperature and the amount of limestone (CaCO3) used. However, the synthesis procedure, including the sintering temperature, heating, and cooling rate affects the structure of C4AF. Furthermore, industrial wastes contain a range of minor elements that may affect the C4AF reactivity. In this work, we propose to investigate the formation and atomic structure evolution upon heating and cooling of C4AF as well as the effects of dopant elements (Zn and Mn) through in-situ X-ray diffraction and total scattering experiments. This study's results will help identify suitable iron slags and synthesis procedures for producing iron-rich low CO2 cement.
DOI: 10.15151/esrf-es-1504462336
title: Recrystallization of SrTiO3

description: Study of the structure after re-crystallization of SrTiO3 from the amorphous phase
DOI: 10.15151/esrf-es-1442318550
title: Understanding the Kinetic Pathways of Peptide-Block Copolymer Coacervation

description: Antimicrobial peptides (AMPs) are found in many species throughout nature to fight pathogens such as bacteria or even by bacteria themselves to fight other bacteria. These molecules have been around for hundreds of millions of years and have largely been able to avoid bacterial resistance. Yet, they are surprisingly little used in treatments – mainly because they are rather unstable towards serum proteins and may be toxic to other cells. Here we will focus on nanoparticles obtained by peptide- polymer coacervates and study their formation kinetics under different mixing ratios, pH and ionic strengths . The system under investigation will be poly(acrylic acid)-poly(ethylene oxide) (PAA-PEO) and various antimicrobial peptides with different charges and length. By understanding the kinetic pathways and stability we aim to obtain better control of the processing conditions required for pharmaceutical applications.
DOI: 10.15151/esrf-es-1442327569
title: Synthesis of LaBeH8 – a high-Tc superconductor at moderate pressures

description: High pressure superhydrides provide an exciting route to finding room temperature superconductivity. Currently, LaH10 holds the record for the highest experimentally confirmed critical temperature (Tc) at a pressure of 200 GPa. It is now important to find high Tc superconducting materials at lower pressure. We will synthesise and study the ternary hydride LaBeH8, which has recently been predicted to have a Tc of 192 K at 100 GPa, and to be dynamically stable down to 20 GPa. We will use laser-heating and X-ray diffraction to search for avenues to synthesise LaBeH8 and will probe the range of dynamical stability. Based on this information, we will prepare high quality samples for electrical measurements at the University of Bristol. This project offers the prospect to achieve a record Tc below 20 GPa. Furthermore it will help to understand the mechanism behind superconductivity in hydride compounds.
DOI: 10.5517/ccdc.csd.cc2h8fhq
title: CCDC 2302013: Experimental Crystal Structure Determination

description: Related Article: Aashna Perwin, Nasreen Mazumdar|2024|J.Mol.Struct.|1304|137690|doi:10.1016/j.molstruc.2024.137690
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.cc2hp89s
title: CCDC 2314345: Experimental Crystal Structure Determination

description: Related Article: Xing Liu, Daqian Wang, Jing Sun, Chao-Guo Yan|2024|J.Mol.Struct.|1304|137684|doi:10.1016/j.molstruc.2024.137684
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.25272256
title: Supplementary Material for: Sex and gender publications in brain health: a mapping review of the Asia-Pacific region

description: Introduction. Reporting of sex and gender analysis in medical research has been shown to improve quality of the science and ensures findings are applicable to women and men. There is conflicting evidence on whether efforts by funding agencies and medical journals to encourage reporting of sex and gender analysis has resulted in tangible improvements. This study mapped the inclusion of sex and gender analysis in stroke and dementia research conducted in the Asia-Pacific region. 
Methods. A systematic search for Asia-Pacific stroke and dementia research was conducted in PubMed and papers included from the period 2012 to 2022. Eligible studies were reviewed for inclusion of a primary sex or gender focus and categorized by type of sex and gender analysis. Author gender was determined using an algorithm and its associations with inclusion of sex and gender analysis examined.
Results. Total Asia-Pacific publications increased from 109 in 2012 to 313 in 2022, but the rate of studies with a primary sex or gender focus did not increase significantly (R2 = 0.06, F(1,9) = 0.59, p = 0.46). Australia, China, India, Japan and South Korea produced the most publications over the study period and were the only countries with at least 50 publications. The impact of author gender was mixed, with female first authorship associated with inclusion of sex or gender analysis and last female authorship associated with studies having a primary sex or gender focus. 
Conclusions. In the Asia-Pacific, brain health research is currently centered around high income countries and efforts are needed to ensure research findings are applicable through out the region. While there was a general increase in brain health publications over the last decade, the rate of sex and gender analysis was unchanged. This demonstrates that even with efforts in some countries in place, there is currently a lack of progress in the Asia-Pacific region to produce more research focusing on sex and gender analysis.
DOI: 10.6084/m9.figshare.25272223
title: A high-quality genome of the shrubby cinquefoil (<i>Dasiphora fruticosa</i>)

description: <i>Dasiphora fruticosa</i>, commonly known as the shrubby cinquefoil, is a flowering shrub of highly ornamental value yet underutilized in East Asian landscapes. Given its broad elevational distribution range, <i>D. fruticosa</i> is also an ideal model for studying genetic adaptations and speciation along elevation gradients. Here, we present a high-quality chromosome-scale assembly of<i> D. fruticosa </i>with a genome size of 249.23 Mb and a contig N50 length of 14.01 Mb. The genome contains 32,613 protein-coding genes, of which 30,643 (93.96%) were functionally annotated.
DOI: 10.48512/xcv8493997
title: Data for Figure 2

description: Data for Figure 2
DOI: 10.4121/21740060
title: Data underlying the publication 'Changes in appearance during the spoilage process of fruits and vegetables: Implications for consumer use and disposal'

description: We tested 20 images of food products in five stages of decay. We included two vegetables (cucumber, avocado) and two fruits (mango, banana). The images were obtained from time-lapse videos. An online survey was answered by 366 participants from the US population. We assessed the degree of disgust, perceived attractiveness, freshness, healthiness, nutritiousness, overripeness, the expected sweetness, bitterness, sourness, juiciness, flexibility, and hardness. in addition, they indicated whether would eat the product, and which activities they would perform before consuming it (e.g., wash, peel, cut off parts, mash, cook).
DOI: 10.4121/21740060.v2
title: Data underlying the publication 'Changes in appearance during the spoilage process of fruits and vegetables: Implications for consumer use and disposal'

description: We tested 20 images of food products in five stages of decay. We included two vegetables (cucumber, avocado) and two fruits (mango, banana). The images were obtained from time-lapse videos. An online survey was answered by 366 participants from the US population. We assessed the degree of disgust, perceived attractiveness, freshness, healthiness, nutritiousness, overripeness, the expected sweetness, bitterness, sourness, juiciness, flexibility, and hardness. in addition, they indicated whether would eat the product, and which activities they would perform before consuming it (e.g., wash, peel, cut off parts, mash, cook).