cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.25505/fiz.icsd.cc24zqxs
title: CSD 1995746: Experimental Crystal Structure Determination

description: Related Article: Anton A. Ivanov, Clément Falaise, Alexandra A. Shmakova, Nathalie Leclerc, Stéphane Cordier, Yann Molard, Yuri V. Mironov, Michael A. Shestopalov, Pavel A. Abramov, Maxim N. Sokolov, Mohamed Haouas, Emmanuel Cadot|2020|Inorg.Chem.|59|11396|doi:10.1021/acs.inorgchem.0c01160
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2416m1
title: CSD 1967372: Experimental Crystal Structure Determination

description: Related Article: Dong Ding, Lin Cheng, Kai-Yao Wang, Hua-Wei Liu, Meng Sun, Cheng Wang|2020|Inorg.Chem.|59|9638|doi:10.1021/acs.inorgchem.0c00770
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc24zzfk
title: CSD 1995979: Experimental Crystal Structure Determination

description: Related Article: Yaşar Krysiak, Bernd Marler, Bastian Barton, Sergi Plana-Ruiz, Hermann Gies, Reinhard B. Neder, Ute Kolb|2020|IUCrJ|7|522|doi:10.1107/s2052252520003991
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc2416kz
title: CSD 1967370: Experimental Crystal Structure Determination

description: Related Article: Dong Ding, Lin Cheng, Kai-Yao Wang, Hua-Wei Liu, Meng Sun, Cheng Wang|2020|Inorg.Chem.|59|9638|doi:10.1021/acs.inorgchem.0c00770
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc24n10w
title: CSD 1985457: Experimental Crystal Structure Determination

description: Related Article: Ruiqi Wang, Yangwu Guo, Xian Zhang, Yi Xiao, Jiyong Yao, Fuqiang Huang|2020|Inorg.Chem.|59|9944|doi:10.1021/acs.inorgchem.0c01111
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.34740/kaggle/dsv/3920942
title: Russian Invasion of Ukraine
DOI: 10.15151/esrf-es-771437539
title: Proteins and protein/DNA/RNA complexes involved in biosynthesis, protein folding and degradation, splicing, cancer, host pathogen interacti

description: Pathogenesis and immune responses are very complex, multi-component processes. Understanding the molecular mechanisms underlying these processes is essential for their regulation and the development of new therapies. Our Life Sciences Block Allocation Group (BAG) for synchrotron research at the ESRF includes groups from Georg-August University of Göttingen (Germany), Helmholtz Centre for Infection Research Structural Biology, Braunschweig (Germany), Rudolf Virchow Center for Biomedical Research, Würzburg (Germany), University of Bielefeld (Germany), Hannover Medical School (Germany) and University of the Western Cape, Cape Town (South Africa). The research of our BAG is focused on the structural, mechanistic, and functional studies of a broad range of medically relevant biological systems, with an aim to develop new therapies in the areas of emerging infections, antimicrobial resistance, chronic inflammatory conditions, and oncogenesis.
DOI: 10.15151/esrf-es-772551202
title: Berlin-Karlsruhe - Macromolecular Crystallography BAG - Structural Biology of light responsive, signal transducing and metalloproteins

description: We study structure-function relationships in several groups of proteins, of which many are involved in signal transduction or energy conversion. In our work on biocatalytic splitting of molecular hydrogen into protons and electrons, we analyse in particular the membrane bound [NiFe]hydrogenase, a protein of the remarkable small subgroup of hydrogenases which is active under aerobic conditions. We study the signaling mechanisms of phytochromes by focusing on the structures of photocycle intermediates and analysing domain movements. We analyse the structures of various G-protein coupled receptors (GPCRs; e.g. melanocortin-4 receptor, Ghrelin receptor), either alone or in complex with their cognate G-proteins or selected effector proteins (arrestins), to understand their signaling mechanisms. Other areas of our research include various microbial rhodopsins, cytomegalovirus proteins and their complexes, and DNA photolyases, in particular bacterial (6-4) photolyases.
DOI: 10.15151/esrf-es-761503890
title: Dynamic battery abuse testing with X-ray imaging
DOI: 10.15151/esrf-es-820001800
title: In situ orientation mapping in hybrid improper ferroelectrics under applied electric field

description: Hybrid improper ferroelectrics (HIF) are a class of materials where polarisation itself is not the primary order parameter but arises instead from coupling to non-polar distortions (e.g. octahedral rotations). Despite substantial progress over the last years, the nature of polarisation switching mechanisms and domain structure remain elusive. Recently we demonstrated through in situ diffraction that the structural response of a polycrystalline HIF to electric field points to one of the allowed symmetry-lowering switching pathways (X2+) being much softer than the others. The next step in understanding the field-induced switching mechanism is to probe the grain-resolved response by in situ 3DXRD. By highlighting the spatial correlation of switching grains through their characteristic superstructure reflections we will better understand both the relation between crystallographic orientation and field direction and the microstructural origin of the observed structural response.
DOI: 10.15151/esrf-es-819380178
title: DFXM study of the coalescence of GaN nanopillars grown by Nano-Pendeo Epitaxy

description: An original method of compliant epitaxy, Nano-Pendeo Epitaxy, has been developed for achieving low dislocation density GaN and managing the strain in the nitride layers. Initial thin AlN and GaN layers are grown on silicon on insulator (SOI) layers, before being patterned into nano-pillars. The degrees of freedom in rotation acquired by the nano-pillars allow the crystallites to realign crystallographically at the time of coalescence, without creating any defects. This alignment is explained by a reduction of interface energy between adjacent crystallites. To go further in the mechanisms at work and feed our numerical simulations, we would like to perform Dark Field X-ray Microscopy (DFXM). The large field of view (FoV) of the microscope shall allow us to statistically measure over a large number of pillars, while the fine spatial and angular resolution of the microscope shall allow to systematically study the structural differences between the center and the border of each pillar.
DOI: 10.15151/esrf-es-750932592
title: Bridging the gap between cellular and whole body imaging using Hierarchical Phase-Contrast Tomography: HiP-CT

description: Humans and other large organisms are three-dimensional multiscale biological systems where large scale function and structure are dependent on the macrostructure’s interconnectivity down to the cellular and subcellular level. Using the exceptional coherence provided by the ESRF-EBS, we have demonstrated that propagation-based phase-contrast can effectively decouple resolution from specimen size in soft tissue, obtaining 1.4 micron voxel resolution in 150 mm diameter human organs. Through this Long Term Proposal (LTP) we will develop the techniques required to image whole human and animal bodies ex vivo at 25 micron resolution, zooming to sub-micron voxels (0.7micron) locally, resolving sub-cellular structures through hard- and soft-tissue. Resolving how the micro (sub-cellular) interacts with the macro (whole organism) across length scales will provide all new insights into biological and biomedical function. This is true for both healthy and pathological system level behaviour.
DOI: 10.6084/m9.figshare.16817962
title: Solid-state bioprocessing of sugarcane bagasse with <i>Auricularia fuscosuccinea</i> for phenolic compounds extraction

description: Sugarcane bagasse is a natural source of phenolic compounds. However, these compounds are bound to lignocellulose components, reducing their ability to function as good antioxidants. These linkages are hydrolyzed by enzymes like <i>β</i>-glucosidases, increasing free phenolics. <i>Auricularia</i> is a food-grade genus capable of producing <i>β</i>-glucosidases. The aim of this work was (I) to determine naturally occurring species of <i>Auricularia</i> and (II) to obtain phenolic compounds through the solid-state bioprocessing of sugarcane bagasse. We have successfully isolated five strains that were assigned to the taxon <i>A. fuscosuccinea</i>. We determined <i>β</i>-glucosidase activity by fluorescence plate assay of the five isolated strains and adjusted an optimal temperature for mycelial growth at 30 °C. <i>A. fuscosuccinea</i> LBM 243 was chosen for solid-state bioprocessing of sugarcane bagasse. <i>β</i>-glucosidase activity (12.2 ± 0.62 U l<sup>−1</sup>) and protein content (51.58 ± 6.26 mg l<sup>−1</sup>) were highest on day 20 of culture. The maximum value of total phenolic content (507.5 ± 9.05 mg l<sup>−1</sup>) was obtained at day 20 and antioxidant capacity (34.44% ± 11.20) was highest at day 10, both in ethanolic extracts. The best performance of ethanol against methanol extraction in this work is highlighted considering ethanol to be a safe, efficient, and low-cost solvent.
DOI: 10.6084/m9.figshare.16817962.v1
title: Solid-state bioprocessing of sugarcane bagasse with <i>Auricularia fuscosuccinea</i> for phenolic compounds extraction

description: Sugarcane bagasse is a natural source of phenolic compounds. However, these compounds are bound to lignocellulose components, reducing their ability to function as good antioxidants. These linkages are hydrolyzed by enzymes like <i>β</i>-glucosidases, increasing free phenolics. <i>Auricularia</i> is a food-grade genus capable of producing <i>β</i>-glucosidases. The aim of this work was (I) to determine naturally occurring species of <i>Auricularia</i> and (II) to obtain phenolic compounds through the solid-state bioprocessing of sugarcane bagasse. We have successfully isolated five strains that were assigned to the taxon <i>A. fuscosuccinea</i>. We determined <i>β</i>-glucosidase activity by fluorescence plate assay of the five isolated strains and adjusted an optimal temperature for mycelial growth at 30 °C. <i>A. fuscosuccinea</i> LBM 243 was chosen for solid-state bioprocessing of sugarcane bagasse. <i>β</i>-glucosidase activity (12.2 ± 0.62 U l<sup>−1</sup>) and protein content (51.58 ± 6.26 mg l<sup>−1</sup>) were highest on day 20 of culture. The maximum value of total phenolic content (507.5 ± 9.05 mg l<sup>−1</sup>) was obtained at day 20 and antioxidant capacity (34.44% ± 11.20) was highest at day 10, both in ethanolic extracts. The best performance of ethanol against methanol extraction in this work is highlighted considering ethanol to be a safe, efficient, and low-cost solvent.
DOI: 10.25505/fiz.icsd.cc251csd
title: CSD 1997323: Experimental Crystal Structure Determination

description: Related Article: Eduard Garrido Ribó, Nicola L. Bell, Weimin Xuan, Jiancheng Luo, De-Liang Long, Tianbo Liu, Leroy Cronin|2020|J.Am.Chem.Soc.|142|17508|doi:10.1021/jacs.0c07146
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc251ctf
title: CSD 1997324: Experimental Crystal Structure Determination

description: Related Article: Eduard Garrido Ribó, Nicola L. Bell, Weimin Xuan, Jiancheng Luo, De-Liang Long, Tianbo Liu, Leroy Cronin|2020|J.Am.Chem.Soc.|142|17508|doi:10.1021/jacs.0c07146
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc251jsk
title: CSD 1997478: Experimental Crystal Structure Determination

description: Related Article: Megan M. Smart, Colin D. McMillen, Kimberly Ivey, Joseph W. Kolis|2020|Inorg.Chem.|59|16804|doi:10.1021/acs.inorgchem.0c02303
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc251jtl
title: CSD 1997479: Experimental Crystal Structure Determination

description: Related Article: Megan M. Smart, Colin D. McMillen, Kimberly Ivey, Joseph W. Kolis|2020|Inorg.Chem.|59|16804|doi:10.1021/acs.inorgchem.0c02303
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc251n1y
title: CSD 1997579: Experimental Crystal Structure Determination

description: Related Article: Abdessalem badri|2020|ICSD Communication|||
description: Related Article: Abdessalem Badri, Inmaculada Alvarez-Serrano, María Luisa López, Mongi Ben Amara|2020|Inorg.Chem.Commun.|121|108217|doi:10.1016/j.inoche.2020.108217
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc25270j
title: CSD 1998136: Experimental Crystal Structure Determination

description: Related Article: Daigorou Hirai, Takeshi Yajima, Kazuhiro Nawa, Mitsuaki Kawamura, Zenji Hiroi|2020|Inorg.Chem.|59|10025|doi:10.1021/acs.inorgchem.0c01187
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc25271k
title: CSD 1998137: Experimental Crystal Structure Determination

description: Related Article: Daigorou Hirai, Takeshi Yajima, Kazuhiro Nawa, Mitsuaki Kawamura, Zenji Hiroi|2020|Inorg.Chem.|59|10025|doi:10.1021/acs.inorgchem.0c01187
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc24pnm4
title: CSD 1987026: Experimental Crystal Structure Determination

description: Related Article: Wenqi Zhang, Zhengguo Lin, Yingnan Chi, Jie Hong, Li Yan, Changwen Hu|2020|Chem.Res.Chin.Univ.|36|1161|doi:10.1007/s40242-020-0152-9
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc24pnq7
title: CSD 1987029: Experimental Crystal Structure Determination

description: Related Article: Wenqi Zhang, Zhengguo Lin, Yingnan Chi, Jie Hong, Li Yan, Changwen Hu|2020|Chem.Res.Chin.Univ.|36|1161|doi:10.1007/s40242-020-0152-9
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc24pnr8
title: CSD 1987030: Experimental Crystal Structure Determination

description: Related Article: Wenqi Zhang, Zhengguo Lin, Yingnan Chi, Jie Hong, Li Yan, Changwen Hu|2020|Chem.Res.Chin.Univ.|36|1161|doi:10.1007/s40242-020-0152-9
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc21dsr0
title: CSD 1889132: Experimental Crystal Structure Determination

description: Related Article: Pu Bai, Zhuoya Dong, Shuang Wang, Xiangyu Wang, Yue Li, Yunzheng Wang, Yanhang Ma, Wenfu Yan, Xiaodong Zou, Jihong Yu|2020|Angew.Chem.,Int.Ed.|59|19539|doi:10.1002/anie.202005878
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2211qx
title: CSD 1907638: Experimental Crystal Structure Determination

description: Related Article: Leonard Pasqualini, Oliver Janka, Selina Olthof, Hubert Huppertz, Klaus Liedl, Rainer Pöttgen, Maren Podewitz, Jörn Bruns|2020|Chem.-Eur.J.|26|17405|doi:10.1002/chem.202002221
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.6084/m9.figshare.20278086
title: raw_data_2022_06_16 (1).xlsx

description: sepsis data
DOI: 10.6084/m9.figshare.20278086.v1
title: raw_data_2022_06_16 (1).xlsx

description: sepsis data
DOI: 10.6084/m9.figshare.20278098
title: Sustainability of the regional financial system ENG (1).xlsx

description: Data set for research work on: Sustainability of the regional financial system: a case study of the Northwestern Federal District. Eng.
DOI: 10.25505/fiz.icsd.cc2536tb
title: CSD 1999091: Experimental Crystal Structure Determination

description: Related Article: Jindong Chen, Chensheng Lin, Dan Zhao, Min Luo, Guang Peng, Bingxuan Li, Shunda Yang, Yingshuang Sun, Ning Ye|2020|Angew.Chem.,Int.Ed.|59|23549|doi:10.1002/anie.202010319
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc253k0w
title: CSD 1999407: Experimental Crystal Structure Determination

description: Related Article: Jindong Chen, Chensheng Lin, Dan Zhao, Min Luo, Guang Peng, Bingxuan Li, Shunda Yang, Yingshuang Sun, Ning Ye|2020|Angew.Chem.,Int.Ed.|59|23549|doi:10.1002/anie.202010319
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc253krm
title: CSD 1999430: Experimental Crystal Structure Determination

description: Related Article: Jindong Chen, Chensheng Lin, Dan Zhao, Min Luo, Guang Peng, Bingxuan Li, Shunda Yang, Yingshuang Sun, Ning Ye|2020|Angew.Chem.,Int.Ed.|59|23549|doi:10.1002/anie.202010319
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.