cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2c51qb
title: CCDC 2179601: Experimental Crystal Structure Determination

description: Related Article: Yang Liu, Ya-Ping Gong, Shining Geng, Mei-Ling Feng, Despoina Manidaki, Zeyu Deng, Constantinos C. Stoumpos, Pieremanuele Canepa, Zewen Xiao, Wei-Xiong Zhang, Lingling Mao|2022|Angew.Chem.,Int.Ed.|61|e202208875|doi:10.1002/anie.202208875
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.cc2c51rc
title: CCDC 2179602: Experimental Crystal Structure Determination

description: Related Article: Yang Liu, Ya-Ping Gong, Shining Geng, Mei-Ling Feng, Despoina Manidaki, Zeyu Deng, Constantinos C. Stoumpos, Pieremanuele Canepa, Zewen Xiao, Wei-Xiong Zhang, Lingling Mao|2022|Angew.Chem.,Int.Ed.|61|e202208875|doi:10.1002/anie.202208875
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.cc2c51sd
title: CCDC 2179603: Experimental Crystal Structure Determination

description: Related Article: Yang Liu, Ya-Ping Gong, Shining Geng, Mei-Ling Feng, Despoina Manidaki, Zeyu Deng, Constantinos C. Stoumpos, Pieremanuele Canepa, Zewen Xiao, Wei-Xiong Zhang, Lingling Mao|2022|Angew.Chem.,Int.Ed.|61|e202208875|doi:10.1002/anie.202208875
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.cc2c51tf
title: CCDC 2179604: Experimental Crystal Structure Determination

description: Related Article: Yang Liu, Ya-Ping Gong, Shining Geng, Mei-Ling Feng, Despoina Manidaki, Zeyu Deng, Constantinos C. Stoumpos, Pieremanuele Canepa, Zewen Xiao, Wei-Xiong Zhang, Lingling Mao|2022|Angew.Chem.,Int.Ed.|61|e202208875|doi:10.1002/anie.202208875
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.cc2c51vg
title: CCDC 2179605: Experimental Crystal Structure Determination

description: Related Article: Yang Liu, Ya-Ping Gong, Shining Geng, Mei-Ling Feng, Despoina Manidaki, Zeyu Deng, Constantinos C. Stoumpos, Pieremanuele Canepa, Zewen Xiao, Wei-Xiong Zhang, Lingling Mao|2022|Angew.Chem.,Int.Ed.|61|e202208875|doi:10.1002/anie.202208875
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.cc2c51d0
title: CCDC 2179591: Experimental Crystal Structure Determination

description: Related Article: Lucas Stieglitz, Tim M. Lenz, Andreas Saurwein, Bernhard Rieger|2022|Angew.Chem.,Int.Ed.|61|e202210797|doi:10.1002/anie.202210797
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.cc2c51f1
title: CCDC 2179592: Experimental Crystal Structure Determination

description: Related Article: Lucas Stieglitz, Tim M. Lenz, Andreas Saurwein, Bernhard Rieger|2022|Angew.Chem.,Int.Ed.|61|e202210797|doi:10.1002/anie.202210797
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.cc2c58b5
title: CCDC 2179806: Experimental Crystal Structure Determination

description: Related Article: Chenyang Hu, Jose M. Goicoechea|2022|Angew.Chem.,Int.Ed.|61|e202208921|doi:10.1002/anie.202208921
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.cc2c58c6
title: CCDC 2179807: Experimental Crystal Structure Determination

description: Related Article: Chenyang Hu, Jose M. Goicoechea|2022|Angew.Chem.,Int.Ed.|61|e202208921|doi:10.1002/anie.202208921
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.cc2c58d7
title: CCDC 2179808: Experimental Crystal Structure Determination

description: Related Article: Chenyang Hu, Jose M. Goicoechea|2022|Angew.Chem.,Int.Ed.|61|e202208921|doi:10.1002/anie.202208921
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.cc2c58f8
title: CCDC 2179809: Experimental Crystal Structure Determination

description: Related Article: Chenyang Hu, Jose M. Goicoechea|2022|Angew.Chem.,Int.Ed.|61|e202208921|doi:10.1002/anie.202208921
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.cc2c5llr
title: CCDC 2180124: Experimental Crystal Structure Determination

description: Related Article: Tobias Eder, Florenz Buß, Lukas F. B. Wilm, Michael Seidl, Fabian Dielmann|2022|Angew.Chem.,Int.Ed.|61|e202209067|doi:10.1002/anie.202209067
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.cc2c5lms
title: CCDC 2180125: Experimental Crystal Structure Determination

description: Related Article: Tobias Eder, Florenz Buß, Lukas F. B. Wilm, Michael Seidl, Fabian Dielmann|2022|Angew.Chem.,Int.Ed.|61|e202209067|doi:10.1002/anie.202209067
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.cc2c5lnt
title: CCDC 2180126: Experimental Crystal Structure Determination

description: Related Article: Tobias Eder, Florenz Buß, Lukas F. B. Wilm, Michael Seidl, Fabian Dielmann|2022|Angew.Chem.,Int.Ed.|61|e202209067|doi:10.1002/anie.202209067
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.cc2c5lpv
title: CCDC 2180127: Experimental Crystal Structure Determination

description: Related Article: Tobias Eder, Florenz Buß, Lukas F. B. Wilm, Michael Seidl, Fabian Dielmann|2022|Angew.Chem.,Int.Ed.|61|e202209067|doi:10.1002/anie.202209067
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.cc2c5lqw
title: CCDC 2180128: Experimental Crystal Structure Determination

description: Related Article: Tobias Eder, Florenz Buß, Lukas F. B. Wilm, Michael Seidl, Fabian Dielmann|2022|Angew.Chem.,Int.Ed.|61|e202209067|doi:10.1002/anie.202209067
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.cc2c5ngp
title: CCDC 2180182: Experimental Crystal Structure Determination

description: Related Article: Ekta Nag, Maria Francis, Sridhar Battuluri, Bhavya Bini Sinu, Sudipta Roy|2022|Chem.-Eur.J.|28|e202201242|doi:10.1002/chem.202201242
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.cc2c5pdn
title: CCDC 2180211: Experimental Crystal Structure Determination

description: Related Article: Yulei Zhao, Xuqiang Guo, Shuai Li, Yuhang Fan, Guo‐Cui Ji, Mengmeng Jiang, Yin Yang, Yuan‐Ye Jiang|2022|Angew.Chem.,Int.Ed.|61|e202213636|doi:10.1002/anie.202213636
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.cc2c5q9l
title: CCDC 2180239: Experimental Crystal Structure Determination

description: Related Article: Andrew Dalling, Georg Späth, Alois Fürstner|2022|Angew.Chem.,Int.Ed.|61|e202209651|doi:10.1002/anie.202209651
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.cc2c5rp0
title: CCDC 2180282: Experimental Crystal Structure Determination

description: Related Article: Andryj M. Borys, Lorraine A. Malaspina, Simon Grabowsky, Eva Hevia|2022|Angew.Chem.,Int.Ed.|61|e202209797|doi:10.1002/anie.202209797
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.cc2c5rq1
title: CCDC 2180283: Experimental Crystal Structure Determination

description: Related Article: Andryj M. Borys, Lorraine A. Malaspina, Simon Grabowsky, Eva Hevia|2022|Angew.Chem.,Int.Ed.|61|e202209797|doi:10.1002/anie.202209797
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: 10.5281/zenodo.7857694
title: 27255_spring_2023_assembly_annotation_report

description: This dataset contains the assembly and annotation result of the microbial isolates collected during the course <strong>27255 - Advanced Experimental Prokaryotic Molecular Biology and Ecology (Spring 2023) </strong>at DTU.
DOI: 10.5281/zenodo.7857693
title: 27255_spring_2023_assembly_annotation_report

description: This dataset contains the assembly and annotation result of the microbial isolates collected during the course <strong>27255 - Advanced Experimental Prokaryotic Molecular Biology and Ecology (Spring 2023) </strong>at DTU.
DOI: 10.34740/kaggle/dsv/416690
title: ARF format Corn Grain Dataset
DOI: 10.34740/kaggle/dsv/248549
title: Corn Grain Images for Digital Image Processing
DOI: 10.5281/zenodo.7857717
title: Association of PD-L1 immunoexpression with the clinicopathological characteristics and its prognostic significance in OPMD and OSCC – Cross sectional study

description: Master chart for the study titled Association of PD-L1 immunoexpression with the clinicopathological characteristics and its prognostic significance in OPMD and OSCC – Cross sectional study
DOI: 10.5281/zenodo.7857716
title: Association of PD-L1 immunoexpression with the clinicopathological characteristics and its prognostic significance in OPMD and OSCC – Cross sectional study

description: Master chart for the study titled Association of PD-L1 immunoexpression with the clinicopathological characteristics and its prognostic significance in OPMD and OSCC – Cross sectional study
DOI: 10.6084/m9.figshare.22682302
title: Supplementary Material for: A novel intronic deletion in PDE6B causes autosomal recessive retinitis pigmentosa by interfering with RNA splicing

description: Introduction: Retinitis pigmentosa (RP) is a rare degenerative retinal disease caused by mutations in approximately seventy genes. Currently, despite the availability of large-scale DNA sequencing technologies, ~30-40% of patients still cannot be diagnosed at the molecular level. In this study, we investigate a novel intronic deletion of PDE6B, encoding the beta subunit of phosphodiesterase 6, in association with recessive RP. Methods: Three unrelated consanguineous families were recruited from the North-Western part of Pakistan. Whole exome sequencing was performed for the probands of each family and the data were analyzed according to an in-house computer pipeline. Relevant DNA variants in all available members of these families were assessed through Sanger sequencing. A minigene-based splicing assay was also performed. Results: The clinical phenotype for all patients was compatible with rod cone degeneration, with onset during childhood. Whole exome sequencing revealed a homozygous 18 bp intronic deletion (NM_000283.3: c.1921-20_1921-3del) in PDE6B, which co-segregated with disease in 10 affected individuals. In-vitro splicing tests showed that this deletion causes aberrant RNA splicing of the gene, leading to the in-frame deletion of 6 codons and likely to disease. Discussion/Conclusion: Our findings further expand the mutational spectrum of the PDE6B gene.
DOI: 10.6084/m9.figshare.22682329
title: Supplementary Material for: Changes in Visual Long-term Potentiation Show Preserved Cyclicity in Human Females Taking Combined Oral Contraceptives

description: Introduction: The combined oral contraceptive pill (COC) is often employed to address physical and neurological symptoms in menstrual cycle-related disorders by suppressing shifts in endogenous gonadal hormone fluctuations. Symptom persistence, especially in the lead up to the hormone free interval (HFI) suggests an underlying neurobiological mechanism of preserved cycling. Our study utilised a non-invasive method of visually inducing long-term potentiation (LTP) to index changes in neural plasticity in the absence of hormonal fluctuations. Methods: Visually induced LTP was recorded using electroencephalography in 24 healthy female COC users across three sessions; day 3 and 21 during active hormone pills, and day 24 during the HFI. The Daily Record of the Severity of Problems (DRSP) questionnaire tracked premenstrual symptoms. Dynamic causal modelling (DCM) was used to elucidate the neural connectivity and receptor activity changes associated with LTP across different days of COC. Results: Visually induced LTP was greater on day 21 than day 3 (p=0.011) and was localised to the P2 visually evoked potential. There was no effect of the HFI (day 24) on LTP. DCM of differences between day 3 and 21 showed changes to inhibitory interneuronal gating of LTP in cortical layer VI. The DRSP only showed a significant increase in symptoms in the HFI, meaning the LTP result appeared more sensitive to cyclicity. Conclusions: This study provides objective evidence of preserved cyclicity in COC users through enhanced LTP on day 21 compared to day 3 of a 28-day COC regimen, indicating that relatively higher excitation in the brain despite peripheral gonadal suppression may underlie and exacerbate menstrual cycle-related disorders.
DOI: 10.6084/m9.figshare.21836169
title: Apple leaf disease dataset

description: Alternaria blotch. Brown spot. Grey spot. Mosaic. Rust.
DOI: 10.15151/esrf-es-1058403300
title: BAG for the Structural Biology Groups in Madrid

description: This proposal is a collaborative effort of the Structural Biology Groups of Madrid with the objective to form a strong core of scientist devoted to this area of research in Spain. It is composed of 18 groups distributed in 4 research Institutes.
DOI: 10.15151/esrf-es-1172995879
title: High-temperature measurements on mineral olivine

description: High-temperature measurements on mineral olivine
DOI: 10.15151/esrf-es-1104084969
title: Understanding of the alteration mechanism of smalt used in oil paintings using combined Co and K K-edge XRF and XANES spectroscopy

description: The experiment focuses on the understanding of the alteration mechanism of smalt used in oil paintings between the 15-18th c. First, we want to quantify the state of alteration of smalt in historical and model samples in order to propose digital reconstructions of the original aspects of the paintings and second, we want to investigate the chemical interactions between the pigment and its environment to have a better understanding on the weathering causes. MicroXANES at the Co K-edge at ID21 has successfully been used to differentiate an altered smalt from a well-preserved one, but the penetration of X-rays at this energy prevents probing the state of weathering at the grain scale. We propose to combine submicronic XRF and high resolution microXANES mapping of smalt grains and their environment at the Co and K K-edges to relate its chemical state to the color of the grains and to follow the chemical transformations of K leached out of the grains
DOI: 10.15151/esrf-es-1171513456
title: Study the synthesized amyloid peptide and the amyloid and Tau tissue by scanning nanodiffraction

description: Study the synthesized amyloid peptide and the amyloid and Tau tissue by scanning nanodiffraction
DOI: 10.15151/esrf-es-1103063699
title: Effect of charge ratio and polycation structure on early stage kinetics of nucleic acid-based complex formation studied through stopped-flow

description: The study of polyelectrolyte complexes for applications in nucleic acid-based therapies is currently attracting great interest due to the emergence of mRNA vaccines. While many complexes have been examined in gene transfection assays, only few studies have investigated the ultrafast kinetics of nucleic acid complexation. Recently, we used the stopped-flow light scattering technique to study the early-stage complexation kinetics of a model system composed of calf-thymus DNA and chitosan. Time-Resolved Small-Angle X‐ray Scattering on ID02 is the best suited approach to study the complexation mechanism. Our goal is to determine the size and morphology of complexes formed at the early-stage kinetics and to explain the effect of charge ratio and polycation structure on complexation mechanism. This proposal represents the first stage of a more ambitious project that aims at elucidating the different steps of the disassembly of nucleic acid-based complexes in physiological conditions.
DOI: 10.15151/esrf-es-1103064726
title: Effect of carbonation on recycled concrete aggregates microstructure by X-ray tomography

description: Recycled concrete aggregates carbonation is one of the key solutions to trap CO2 emitted during concrete production back into the material, aiming to approach carbon-neutrality. However, it is a complex process, that depends on several factors, such as the carbon dioxide transport within the material, the moisture content in the pore network and other environmental conditions. These effects are still poorly understood since all current theories rely on point-wise, macroscopic measures, neglecting the intrinsically heterogeneous nature of the process. We seek instead to quantify, in-situ, the spatial distribution of the absorbed carbon by tracking the progressive concrete density variation along with occupancy of the pore-space over a range of conditions to understand the micro-scale processes underlying the macroscopic response. The high contrast and fast X-ray microtomography available at the ID19 of ESRF is the perfect tool to quantify these processes in situ.
DOI: 10.15151/esrf-es-1103066805
title: Investigating Phase Changes n the Sc-II Guest-Structure as Predicted by a Global Neural Network

description: We will study scandium (Sc) metal up to 200 GPa, resolving long-standing discrepancies in the literature regarding the structure(s) of the incommensurate host-guest Sc-II phase. These investigations are carried out in the context of novel machine-learned material models which have recently predicted that the guest-structure of Sc-II undergoes a transition from face-centred to body-centred tetragonal at 50-70 GPa. We will test this prediction, aiming to either validate this promising new computation technique or provide data which will inform future developments of this approach. In addition, we will attempt to collect high-quality diffraction data to aid in solving the as-yet unknown Sc-III and Sc-IV phases.