cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.4224719
title: Simulation data

description: Simulation data
DOI: 10.5281/zenodo.10810114
title: Simulations
DOI: 10.5281/zenodo.10810115
title: Simulations
DOI: 10.6084/m9.figshare.25469926.v1
title: chimeric_crosslinks_miR181enr_miR181a/b-1-KO_plus.bed

description: Chimeric crosslinks of Ago2 with enrichment for miR181 in mouse thymocytes, from miR181-eCLIP experiment in Verheyden & Klostermann et al 2024. Knockout of miR181a/b-1, merge of all 3 replicates, crosslinks from plus strand.
DOI: 10.6084/m9.figshare.25469932.v1
title: chimeric_crosslinks_Ago2IP_miR181a/b-1-KO_minus.bed

description: Chimeric crosslinks of Ago2 in mouse thymocytes, from miR181-eCLIP experiment in Verheyden & Klostermann et al 2024. Knockout of miR181a/b-1, merge of all 3 replicates, crosslinks from minus strand.
DOI: 10.6084/m9.figshare.25469938.v1
title: chimeric_crosslinks_Ago2IP_miR181a/b-1-KO_plus.bed

description: Chimeric crosslinks of Ago2 in mouse thymocytes, from miR181-eCLIP experiment in Verheyden & Klostermann et al 2024. Knockout of miR181a/b-1, merge of all 3 replicates, crosslinks from plus strand.
DOI: 10.6084/m9.figshare.25469944.v1
title: chimeric_crosslinks_miR181enr_minus.bed

description: Chimeric crosslinks of Ago2 with enrichment for miR181 in mouse thymocytes, from miR181-eCLIP experiment in Verheyden & Klostermann et al 2024. Merge of all 3 replicates, crosslinks from minus strand.
DOI: 10.6084/m9.figshare.25469947.v1
title: chimeric_crosslinks_miR181enr_plus.bed

description: Chimeric crosslinks of Ago2 with enrichment for miR181 in mouse thymocytes, from miR181-eCLIP experiment in Verheyden & Klostermann et al 2024. Merge of all 3 replicates, crosslinks from plus strand.
DOI: 10.6084/m9.figshare.25469959.v2
title: chimeric_crosslinks_Ago2IP_minus.bed

description: Chimeric crosslinks of Ago2 in mouse thymocytes, from miR181-eCLIP experiment in Verheyden & Klostermann et al 2024. Merge of all 3 replicates, crosslinks from minus strand.
DOI: 10.6084/m9.figshare.25469959.v3
title: chimeric_crosslinks_Ago2IP_minus.bed

description: Chimeric crosslinks of Ago2 in mouse thymocytes, from miR181-eCLIP experiment in Verheyden & Klostermann et al 2024. Merge of all 3 replicates, crosslinks from minus strand.
DOI: 10.48328/tudatalib-1398
title: DNA choreography: correlating mobility and organization of DNA across different resolutions from loops to chromosomes

description: The dynamics of DNA in the cell nucleus plays a role in cellular processes and fates but the interplay of DNA mobility with the hierarchical levels of DNA organization is unexplored. Here, we made use of DNA replication to directly label genomic DNA in an unbiased genome-wide manner. This was followed by live-cell time-lapse microscopy of the labeled DNA combining imaging at different resolutions levels simultaneously and allowing to trace DNA motion across organization levels within the same cells. Quantification of the labeled DNA segments at different microscopic resolution levels revealed sizes comparable to the ones reported for DNA loops using 3D super-resolution microscopy, topological associated domains (TAD) using 3D wide-field microscopy and also entire chromosomes. By employing advanced chromatin tracking and image registration, we discovered that DNA exhibited higher mobility at the individual loop level compared to the TAD level and even less at the chromosome level. Additionally, our findings indicate that chromatin movement, regardless of the resolution, slowed down during the S-phase of the cell cycle compared to the G1/G2 phases. Furthermore, we found that a fraction of DNA loops and TADs exhibited directed movement with the majority depicting constrained movement. Our data also indicated spatial mobility differences with DNA loops and TADs at the nuclear periphery and the nuclear interior exhibiting lower velocity and radius of gyration than the intermediate locations. Based on these insights, we propose that there is a link between DNA mobility and its organizational structure including spatial distribution, which impacts cellular processes.
DOI: 10.25500/edata.bham.00000411
title: Latest Oligocene to earliest Pliocene deep-sea benthic foraminifera from ODP Sites 752, 1168 and 1139, southern Indian Ocean

description: Count data for most abundant benthic foraminifera in the late Oligocene-Neogene in ODP Holes 752A, 1139A and 1168A
DOI: 10.6084/m9.figshare.25469959.v4
title: chimeric_crosslinks_Ago2IP_minus.bed

description: Chimeric crosslinks of Ago2 in mouse thymocytes, from miR181-eCLIP experiment in Verheyden & Klostermann et al 2024. Merge of all 3 replicates, crosslinks from minus strand.
DOI: 10.6084/m9.figshare.25469998.v2
title: chimeric_crosslinks_Ago2IP_plus.bed

description: Chimeric crosslinks of Ago2 in mouse thymocytes, from miR181-eCLIP experiment in Verheyden & Klostermann et al 2024. Merge of all 3 replicates, crosslinks from plus strand.
DOI: 10.24377/ljmu.d.00000182
title: Retrospective Outcomes Evaluation of XR-BUP

description: Aims: To investigate factors associated with prescribing of the Extended Release Buprenorphine (XR-BUP) injectable Buvidal, and patient rated changes in outcome variables. 
Design: Cross-sectional analysis of anonymised electronic records from patients receiving Buvidal vs. traditional Opioid Agonist Therapy (OAT). To examine predictors of receiving Buvidal (vs OAT) we conducted logistic regression. Psychological Health, Physical Health and Quality of Life scores were analysed using Welch’s t-tests. In adjusted models we conducted linear regressions including the demographic predictors (age, employment, ethnicity, age of first substance, number of episodes, gender and IMD). 
Setting: Data was analysed from a national substance use treatment provider Via, with data from six Via integrated substance misuse services included in our analyses.
description: Retrospective cross-sectional analysis of electronic Health records
DOI: 10.5281/zenodo.10866857
title: Database of giant viruses, Mirusviruses genomes, and marker genes

description: Nucleotide sequences of 1,629 viral genomes (1,518 Nucleoviricota and 111 Mirusviricota), and marker genes found in these genomes.
DOI: 10.5281/zenodo.10866858
title: Database of giant viruses, Mirusviruses genomes, and marker genes

description: Nucleotide sequences of 1,629 viral genomes (1,518 Nucleoviricota and 111 Mirusviricota), and marker genes found in these genomes.
DOI: 10.6084/m9.figshare.25470058.v1
title: Binding_sites_Ago2_miR181_enr.bed

description: Binding sites of Ago2 with miR181 enrichment in mouse thymocytes from miR-181-eCLIP experiment in Verheyden&Klostermann 2024.
DOI: 10.6084/m9.figshare.25470079.v1
title: Binding_sites_Ago2_miR181a/b-1-KO.bed

description: Binding sites of Ago2 with knockout of miR181a/b-1 in mouse thymocytes from miR-181-eCLIP experiment in Verheyden&Klostermann 2024.
DOI: 10.15131/shef.data.25233514
title: Data in support of "Design and Selection of High Entropy Alloys for Hardmetal Matrix Applications using a Coupled Machine Learning and CALPHAD Methodology"

description: Abstract: This study aimed to utilise a combined Machine Learning (ML) and CALculations of PHAse Diagrams (CALPHAD) methodology to design hardmetal matrix phases for metal forming applications that could serve as the basis for carbide reinforcement. The vast compositional space that High Entropy Alloys (HEAs) occupy, offers a promising avenue to satisfy the application design criteria of wear resistance and ductility. To efficiently explore this space, random forest ML models are constructed and trained from publicly available experimental HEA databases to make phase constitution and hardness predictions. Interrogation of the ML models constructed revealed accuracies &gt; 78.7% and mean absolute error of 66.1 HV for phase and hardness predictions. Six promising alloy compositions, extracted from the ML predictions and CALPHAD calculations, were experimentally fabricated and tested. The hardness predictions are found to be systematically under and over predicted depending on the alloy microstructure. In parallel, the phase classification models were found to lack sensitivity towards additional intermetallic phase formation. Despite the discrepancies identified between ML and experimental results, the fabricated compositions showed promise for further experimental evaluation. These discrepancies were believed to be directly associated with the available databases but importantly have highlighted several avenues for both ML and database development.
DOI: 10.6084/m9.figshare.25470112.v1
title: Differential_Binding_sites_Ago2_miR181a/b-1-KO_vs_ctrl.bed

description: Differential binding sites of Ago2 in mouse thymocytes from miR-181-eCLIP experiment in Verheyden&Klostermann 2024. Binding sites with significant changes ( P &lt; 0.05) between miR181a/b-1 knockout and control. Score annotates the log2FoldChange.
DOI: 10.5517/ccdc.csd.cc2g6f7c
title: CCDC 2270292: Experimental Crystal Structure Determination

description: Related Article: Sylwia Pawlędzio, Marcin Ziemniak, Damian Trzybiński, Mihails Arhangelskis, Anna Makal, Krzysztof Woźniak|2024|RSC Advances|14|5340|doi:10.1039/D3RA08081A
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.cc2g6f9f
title: CCDC 2270294: Experimental Crystal Structure Determination

description: Related Article: Sylwia Pawlędzio, Marcin Ziemniak, Damian Trzybiński, Mihails Arhangelskis, Anna Makal, Krzysztof Woźniak|2024|RSC Advances|14|5340|doi:10.1039/D3RA08081A
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.cc2h99ty
title: CCDC 2302860: Experimental Crystal Structure Determination

description: Related Article: Yichun Chen, Ziqi Lu, Wenfen He, Huanyi Zhu, Weilong Lu, Junjun Shi, Jie Sheng, Wucheng Xie|2024|RSC Advances|14|4804|doi:10.1039/D3RA07466H
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.cc2hfs3v
title: CCDC 2307147: Experimental Crystal Structure Determination

description: Related Article: Orson L. Sydora|2024|Polyhedron|252|116854|doi:10.1016/j.poly.2024.116854
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.cc2hfs4w
title: CCDC 2307148: Experimental Crystal Structure Determination

description: Related Article: Orson L. Sydora|2024|Polyhedron|252|116854|doi:10.1016/j.poly.2024.116854
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.cc2hfs5x
title: CCDC 2307149: Experimental Crystal Structure Determination

description: Related Article: Orson L. Sydora|2024|Polyhedron|252|116854|doi:10.1016/j.poly.2024.116854
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.cc2hfs6y
title: CCDC 2307150: Experimental Crystal Structure Determination

description: Related Article: Orson L. Sydora|2024|Polyhedron|252|116854|doi:10.1016/j.poly.2024.116854
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.cc2hfs7z
title: CCDC 2307151: Experimental Crystal Structure Determination

description: Related Article: Orson L. Sydora|2024|Polyhedron|252|116854|doi:10.1016/j.poly.2024.116854
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.cc2hjssm
title: CCDC 2310051: Experimental Crystal Structure Determination

description: Related Article: Muhammad Syafiq Bin Shahari, Ahmad Junaid, Edward R. T. Tiekink, Anton V. Dolzhenko|2024|RSC Advances|14|8264|doi:10.1039/D3RA08091A
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.cc2hk8mz
title: CCDC 2310511: Experimental Crystal Structure Determination

description: Related Article: Tetsuya Yano, Takahiro Yamada, Hiroaki Isida, Nami Ohashi, Toshimasa Itoh|2024|RSC Advances|14|6542|doi:10.1039/D4RA00437J
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.cc2hf8y5
title: CCDC 2306677: Experimental Crystal Structure Determination

description: Related Article: Abolghasem Bakhoda|2024|Acta Crystallogr.,Sect.E:Cryst.Commun.|E80|166|doi:10.1107/S205698902400046X
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.cc2g6f6b
title: CCDC 2270291: Experimental Crystal Structure Determination

description: Related Article: Sylwia Pawlędzio, Marcin Ziemniak, Damian Trzybiński, Mihails Arhangelskis, Anna Makal, Krzysztof Woźniak|2024|RSC Advances|14|5340|doi:10.1039/D3RA08081A
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.cc2g6f8d
title: CCDC 2270293: Experimental Crystal Structure Determination

description: Related Article: Sylwia Pawlędzio, Marcin Ziemniak, Damian Trzybiński, Mihails Arhangelskis, Anna Makal, Krzysztof Woźniak|2024|RSC Advances|14|5340|doi:10.1039/D3RA08081A
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.cc2d7p5j
title: CCDC 2211917: Experimental Crystal Structure Determination

description: Related Article: Lorena Camargo-Ayala, Mauricio Bedoya, Luis Prent-Peñaloza, Efraín Polo-Cuadrado, Edison Osorio, Iván Brito, Gerzon E. Delgado, Wendy González, Margarita Gutierrez|2024|RSC Advances|14|5222|doi:10.1039/D3RA08649F
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.cc2d7p6k
title: CCDC 2211918: Experimental Crystal Structure Determination

description: Related Article: Lorena Camargo-Ayala, Mauricio Bedoya, Luis Prent-Peñaloza, Efraín Polo-Cuadrado, Edison Osorio, Iván Brito, Gerzon E. Delgado, Wendy González, Margarita Gutierrez|2024|RSC Advances|14|5222|doi:10.1039/D3RA08649F
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.cc2f42wk
title: CCDC 2238258: Experimental Crystal Structure Determination

description: Related Article: Lorena Camargo-Ayala, Mauricio Bedoya, Luis Prent-Peñaloza, Efraín Polo-Cuadrado, Edison Osorio, Iván Brito, Gerzon E. Delgado, Wendy González, Margarita Gutierrez|2024|RSC Advances|14|5222|doi:10.1039/D3RA08649F
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.cc2f42xl
title: CCDC 2238259: Experimental Crystal Structure Determination

description: Related Article: Lorena Camargo-Ayala, Mauricio Bedoya, Luis Prent-Peñaloza, Efraín Polo-Cuadrado, Edison Osorio, Iván Brito, Gerzon E. Delgado, Wendy González, Margarita Gutierrez|2024|RSC Advances|14|5222|doi:10.1039/D3RA08649F
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.cc2h0gkk
title: CCDC 2294358: Experimental Crystal Structure Determination

description: Related Article: B. Mondal|2024|Acta Crystallogr.,Sect.E:Cryst.Commun.|80|277|doi:10.1107/S2056989024001166
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.cc2jd8w3
title: CCDC 2335505: Experimental Crystal Structure Determination

description: Related Article: Peter W. R. Corfield|2024|IUCrData|9|x240189|doi:10.1107/S2414314624001895
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.10866535
title: Studying energy materials under operating conditions by X-ray absorption spectroscopy using the new OÆSE endstation at BESSY II

description: For the "Predicted undulator gap offset", ID of binary files in "undulator gap detuning" folder are:

[474,475,476,477,478] for oxygen K-edge measurements with corresponding offset gap values of [20,15,10,5,-1.672]

[466,468,469,470,472,473] for nickel L23-edge measurements with corresponding offset gap values of [30,43,35,10,20,-1.672]



 

For the "Beam blocking between data acquisition" data, files uploaded for "maximum flux" ("high_dose_5MH3PO3.txt") and "beam blocker" ("low_dose_5MH3PO3.txt")

 

For the "Operation of the cell at different temperatures" data, files uploaded for 25°C ("CV_planarPt_5MH3PO3_25C.txt") and for 72°C ("CV_planarPt_5MH3PO3_72C.txt")



 



For the "Detuning the undulator gap minimizes the radiation-induced oxidation" plot, in the "Undulator detuning P K-edge" folder the files are:





["w_AuMesh,Ugap=6p0_I0=58nA_t=10min.txt",

"w_Aumesh_Ugap=6p15_I0=9nA_t=20min.txt",

"w_AuMesh_Ugap=6p11_I0=18nA_t=30min.txt",

"w_AuMesh_Ugap=6p05_I0=40nA_t=40min.txt"] with [100,69,31,16]% of maximum flux respectively

"aqueous_1M_H3PO3_exp_PK_XAS.txt" and "aqueous_1M_H3PO4_exp_PK_XAS.txt" are the reference spectra of aqueous 1M H3PO3 and 1M H3PO4 respectively

 



For the "Variation of the position of the irradiated sample", in the "NCA degradation damage" folder the files are:



[1271,1272,1273] for oxygen K-edge measurement for 1st, 2nd and 3rd scan in the same position

[1297,1298,1299] for nickel L3-edge measurement for 1st, 2nd and 3rd scan in the same position

[1304] for nickel L3-edge spectra for measurement in a new position



 

For the "Cu samples electrodeposited under different conditions " in the "Different Cu electrodeposition protocols" folder, the files are:

at the Cu L3-edge:



electrolyte =  "Scan_1107_2022_10_08_aq_CuSO4.sdat"

Cu2O = "Scan_2020_2022_11_02_Cu2O_in_CuSO4.sdat"

Cu = "Scan_2028_2022_11_02_Cu_in_CuSO4.sdat"

at the Cu K-edge:



electrolyte = "Scan_2007_2022_11_02_aq_CuSO4.dat"

Cu2O = "Scan_2021_2022_11_02_Cu2O_in_CuSO4.dat"

Cu = "Scan_2033_2022_11_02_Cu_in_water.dat"

and the electrochemistry:

"scan_2027" for the Cu electrodeposition

"3_ED_CA_XXX_CuSO4_RHE_YYY.mpr" for the 5 files related to the Cu2O electrodeposition




 

The spectromicrographs are the files:

1247 for the TFY mode

1248 for the PFY mode

 

The FEXRAV signals are given by the following IDs:





[1998,2002,2009] for the chemical species ["sXAS-Main peak (Cu2O)","sXAS-Secondary peak (Cu(0))","hXAS-Main peak"]