cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.8241702
title: Supplementary Data for an under-reviewing article.

description: Supplementary Data for the under-reviewing article "Phylogenetic evidence reveals early Kra-Dai divergence and dispersal in the late Holocene". Supplementary Data 1: The lexical cognate database of Kra-Dai languages. Sheet 1 “Lexical items” shows the language entries and lexical items of 100 Kra-Dai languages. Sheet 2 “Binary coded sets” shows the binary coded form based on Sheet 1. Sheet 3 “Note” shows the reason for deleting specific lexical items and descriptions for the data. Supplementary Data 2: Node constraints with known historical information used to calibrate the divergence time calculations in BEAST. Supplementary Data 3: Model comparison among different combinations of models in BEAST. Sheet 1 “HME” shows the results compared by Harmonic Mean Estimator. Sheet 2 “Path Sampling” shows the results compared by the path sampling method. Supplementary Data 4: Possibilities of ancestral area. Supplementary Data 5: Comparison of time depth and root probability among versions of different settings. Supplementary Data 6: Delta score and Q-residual. Supplementary Data 7: Information on archaeological sites in South China and MSEA. Supplementary Data 8: Resources of linguistic data. Supplementary Data 9: BEAST xml files, nexus files, MCC tree file, and log file. Supplementary Data 10: Statistical significance among models of dispersal routes in the posterior samples of 3 independent runs of the RJMCMC. Supplementary Data 11: The control file, input file, and geographical distribution file used in the <em>BayesTraits</em> program. 3 MCMC run log files were also included. Supplementary Data 12: Kra-Dai population samples used for BSP analysis. Supplementary Data 13: The interdisciplinary data and code used to plot Figure 3.
DOI: 10.4121/3302580d-ade4-43ce-9d64-61c9583572f4.v1
title: Data underlying the publication: Enhancing trigger sensitivity of nanocarriers through organocatalytic oxidant activation

description: This dataset contains data underlying the publication: “Enhancing trigger sensitivity of nanocarriers through organocatalytic oxidant activation"collected as part of Irene Piergentili's PhD Thesis project. It is being made public to act as supplementary data for the publication and additionally for the PhD thesis of Irene Piergentili. These data were made available for other researchers to use in their own work. The data in this data set was collected in the Department of Chemical Engineering and Department of Radiation Science and Technology of the Delft University of Technology - Faculty of Applied Science, between March 2021 and January 2023. This research project was made possible by a grant from the Netherlands Organisation for Scientific Research and the National Natural Science Foundation of China (NWO-NSFC joint project). The purpose of these experiments was to investigate the use of organocatalysis on thioanisole ester based micelles as oxidation-sensitive drug delivery and release carrier. Thioanisole ester based micelles in presence of organocatalysis were investigated via several techniques: Nuclear Magnetic Resonance (NMR), Dynamic Light Scattering (DLS)and Fluorescence Spectroscopy. The data were collected manually using the timestamp of the obtained file as time point in the kinetic experiments. NMR data are provided as raw unprocessed .fid data files as well as log text files containing time of measurement information. DLS data are provided as an .xlsx output from Malvern Zetasizer including information around scatter count, Z-average diameter, Intensity and Number plots, Number average size. Fluorescence Spectroscopy was used to quantify the Nile Red release from the micelles and raw data are provided as .jws files.<br>
DOI: 10.5517/ccdc.csd.cc236x5f
title: CCDC 1943054: Experimental Crystal Structure Determination

description: Related Article: Xuerui Tian, Yaqi Zhang, Yuanyuan Ma, Qing Zhao, Zhangang Han|2020|Cat.Sci.Tech.|10|2593|doi:10.1039/D0CY00208A
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.cc23cbxr
title: CCDC 1947324: Experimental Crystal Structure Determination

description: Related Article: Xing Xin, Na Hu, Yuanyuan Ma, Yali Wang, Lin Hou, Heng Zhang, Zhangang Han|2020|Dalton Trans.|49|4570|doi:10.1039/D0DT00446D
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.cc2btl1t
title: CCDC 2169536: Experimental Crystal Structure Determination

description: Related Article: R.R. Galiev, V.Y. Komarov, R.M. Khisamov, A.Yu. Ledneva, S.B. Artemkina, V.E. Fedorov|2023|Inorg.Chim.Acta|548|121366|doi:10.1016/j.ica.2022.121366
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.8246186
title: Dataset_Psychometric Calibration of a Tool Based on 360 Degree Videos for the Assessment of Executive Functions

description: Dataset of papaer "Psychometric Calibration of a Tool Based on 360 Degree Videos for the Assessment of Executive Functions"
DOI: 10.5281/zenodo.8246185
title: Dataset_Psychometric Calibration of a Tool Based on 360 Degree Videos for the Assessment of Executive Functions

description: Dataset of papaer "Psychometric Calibration of a Tool Based on 360 Degree Videos for the Assessment of Executive Functions"
DOI: 10.5281/zenodo.8189044
title: CommitChronicle dataset from the paper "From Commit Message Generation to History-Aware Commit Message Completion", ASE 2023

description: <pre>This is the CommitChronicle dataset for commit message generation (and/or completion), introduced in the paper "From Commit Message Generation to History-Aware Commit Message Completion", ASE 2023. For further details, see the attached README.md. <strong>Note.</strong> Also available on HuggingFace Hub: JetBrains-Research/commit-chronicle</pre>
DOI: 10.5281/zenodo.8189043
title: CommitChronicle dataset from the paper "From Commit Message Generation to History-Aware Commit Message Completion", ASE 2023

description: <pre>This is the CommitChronicle dataset for commit message generation (and/or completion), introduced in the paper "From Commit Message Generation to History-Aware Commit Message Completion", ASE 2023. For further details, see the attached README.md. <strong>Note.</strong> Also available on HuggingFace Hub: JetBrains-Research/commit-chronicle</pre>
DOI: 10.5281/zenodo.6827536
title: The Radius of PSR J0740+6620 from NICER with NICER Background Estimates

description: Posterior sample files associated with the publication "The Radius of PSR J0740+6620 from NICER with NICER background estimates" by Salmi et al. (2022; ApJ 941 150; arXiv:2209.12840 [astro-ph.HE]). Also included are: the data products; the numeric model files including the telescope calibration products; model modules in the Python language using the X-PSI framework; and Jupyter analysis notebooks. Please refer to the README for detailed information.
DOI: 10.5281/zenodo.6827537
title: The Radius of PSR J0740+6620 from NICER with NICER Background Estimates

description: Posterior sample files associated with the publication "The Radius of PSR J0740+6620 from NICER with NICER background estimates" by Salmi et al. (2022; ApJ 941 150; arXiv:2209.12840 [astro-ph.HE]). Also included are: the data products; the numeric model files including the telescope calibration products; model modules in the Python language using the X-PSI framework; and Jupyter analysis notebooks. Please refer to the README for detailed information.
DOI: 10.17028/rd.lboro.22285513
title: Supplementary information files for Groundwater vulnerability to pollution assessment: an application of geospatial techniques and integrated IRN-DEMATEL-ANP decision model

description: Supplementary files for article Groundwater vulnerability to pollution assessment: an application of geospatial techniques and integrated IRN-DEMATEL-ANP decision model <br> This study evaluated the susceptibility to groundwater pollution using a modified DRASTIC model. A novel hybrid multi-criteria decision-making (MCDM) model integrating Interval Rough Numbers (IRN), Decision Making Trial and Evaluation Laboratory (DEMATEL), and Analytical Network Process (ANP) was used to investigate the interrelationships between critical hydrogeologic factors (and determine their relative weights) via a novel vulnerability index based on the DRASTIC model. The flexibility of GIS in handling spatial data was employed to delineate thematic map layers of the hydrogeologic factors and to improve the DRASTIC model. The hybrid MCDM model results show that Net Recharge (a key hydrogeologic factor) had the highest priority with a weight of 0.1986. In contrast, the Topography factor had the least priority, with a weight of 0.0497. A case study validated the hybrid model using Anambra State, Nigeria. The resultant vulnerability map shows that 12.98 % of the study area falls into a very high vulnerability class, 31.90 % falls into a high vulnerability, 23.52 % falls into the average vulnerability, 21.75 % falls into a low vulnerability, and 9.85 % falls into very low vulnerability classes, respectively. In addition, nitrate concentration was used to evaluate the degree of groundwater pollution. Based on observed nitrate concentration, the modified DRASTIC model was validated and compared to the traditional DRASTIC model; interestingly, the spatial model of the modified DRASTIC model performed better. This study is thus critical for environmental monitoring and implementing appropriate management interventions to protect groundwater resources against indiscriminate sources of pollution.
DOI: 10.17028/rd.lboro.22285513.v1
title: Supplementary information files for Groundwater vulnerability to pollution assessment: an application of geospatial techniques and integrated IRN-DEMATEL-ANP decision model

description: Supplementary files for article Groundwater vulnerability to pollution assessment: an application of geospatial techniques and integrated IRN-DEMATEL-ANP decision model <br> This study evaluated the susceptibility to groundwater pollution using a modified DRASTIC model. A novel hybrid multi-criteria decision-making (MCDM) model integrating Interval Rough Numbers (IRN), Decision Making Trial and Evaluation Laboratory (DEMATEL), and Analytical Network Process (ANP) was used to investigate the interrelationships between critical hydrogeologic factors (and determine their relative weights) via a novel vulnerability index based on the DRASTIC model. The flexibility of GIS in handling spatial data was employed to delineate thematic map layers of the hydrogeologic factors and to improve the DRASTIC model. The hybrid MCDM model results show that Net Recharge (a key hydrogeologic factor) had the highest priority with a weight of 0.1986. In contrast, the Topography factor had the least priority, with a weight of 0.0497. A case study validated the hybrid model using Anambra State, Nigeria. The resultant vulnerability map shows that 12.98 % of the study area falls into a very high vulnerability class, 31.90 % falls into a high vulnerability, 23.52 % falls into the average vulnerability, 21.75 % falls into a low vulnerability, and 9.85 % falls into very low vulnerability classes, respectively. In addition, nitrate concentration was used to evaluate the degree of groundwater pollution. Based on observed nitrate concentration, the modified DRASTIC model was validated and compared to the traditional DRASTIC model; interestingly, the spatial model of the modified DRASTIC model performed better. This study is thus critical for environmental monitoring and implementing appropriate management interventions to protect groundwater resources against indiscriminate sources of pollution.
DOI: 10.5517/ccrd0sx
title: CCDC 696749: Experimental Crystal Structure Determination

description: Related Article: M.I.Naumova, E.A.Mainicheva, O.A.Geras'ko, V.P.Fedin|2009|Izv.Akad.Nauk SSSR,Ser.Khim.||1800|
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/ccwzgny
title: CCDC 833641: Experimental Crystal Structure Determination

description: Related Article: E.A.Kovalenko, D.Yu.Naumov, V.P.Fedin, A.Myuller|2012|Koord.Khim.|38|165|
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.cc2321js
title: CCDC 1938384: Experimental Crystal Structure Determination

description: Related Article: Rongrong Liu, Wenhua Zhang, Donghui Wei, Jing-Huo Chen, Seik Weng Ng, Guang Yang|2019|Dalton Trans.|48|16162|doi:10.1039/C9DT03344K
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.8246213
title: Dataset for testing ARMET

description: Dataset for testing ARMET
DOI: 10.5281/zenodo.8246212
title: Dataset for testing ARMET

description: Dataset for testing ARMET
DOI: 10.5281/zenodo.4773574
title: Geostratigraphic map of Rachmaninoff crater and Nathair Facula in the Hokusai Quadrangle (H05) of Mercury

description: Geostratigraphic map of Rachmaninoff crater and Nathair Facula in the Hokusai Quadrangle (H05) of Mercury. 5 crater classes.
DOI: 10.5281/zenodo.8245880
title: Geostratigraphic map of Rachmaninoff crater and Nathair Facula in the Hokusai Quadrangle (H05) of Mercury

description: Geostratigraphic map of Rachmaninoff crater and Nathair Facula in the Hokusai Quadrangle (H05) of Mercury. 5 crater classes.
DOI: 10.5281/zenodo.8246219
title: Geostratigraphic map of Rachmaninoff crater and Nathair Facula in the Hokusai Quadrangle (H05) of Mercury

description: Geostratigraphic map of Rachmaninoff crater and Nathair Facula in the Hokusai Quadrangle (H05) of Mercury. 5 crater classes.
DOI: 10.6084/m9.figshare.23523891
title: Supplementary Material for: Hepaticoduodenostomy in Combined Endoscopic Ultrasound-Endoscopic Retrograde Cholangiopancreatography Biliary Drainage for Malignant Hilar Biliary Obstruction

description: Medicine
DOI: 10.6084/m9.figshare.23943162.v1
title: Insights into dynamic changes in ADC-7 and P99 cephalosporinases using small angle x-ray scattering (SAXS)

description: To counter the emergence of β-lactamase (BL) mediated resistance, design of new β-lactamase inhibitors (BLIs) is critical. Many high-resolution crystallographic structures of BL complexed with BLIs are available. However, their impact on BLI design is struggling to keep pace with novel and emerging variants. Small angle x-ray scattering (SAXS) in combination with molecular modeling is a useful tool to determine dynamic structures of macromolecules in solution. An important application of SAXS is to determine the conformational changes that occur when BLI bind to BL. To probe if conformational dynamics occur in class C cephalosporinases, we studied SAXS profiles of two clinically relevant class C β-lactamases, <i>Acinetobacter baumannii</i> ADC-7 and <i>Enterobacter cloacae</i> P99 in apo format complexed with BLIs. Importantly, SAXS data analysis demonstrated that in solution, these representative class C enzymes remain monomeric and did not show the associated assemblies that were seen in various crystal structures. SAXS data acquired for ADC-7 and P99, in apo and inhibitor bound states, clearly showed that these enzymes undergo detectable conformational changes, and these class C β-lactamases also close upon binding inhibitors as does BlaC. Further analysis revealed that addition of inhibitor led to the compacting of a range of residues around the active site, indicating that the conformational changes that both P99 and ADC-7 undergo are central to inhibitor recognition and efficacy. Our findings support the importance of exploring conformational changes using SAXS analysis in the design of future BLIs. Communicated by Ramaswamy H. Sarma
DOI: 10.6084/m9.figshare.23943162
title: Insights into dynamic changes in ADC-7 and P99 cephalosporinases using small angle x-ray scattering (SAXS)

description: To counter the emergence of β-lactamase (BL) mediated resistance, design of new β-lactamase inhibitors (BLIs) is critical. Many high-resolution crystallographic structures of BL complexed with BLIs are available. However, their impact on BLI design is struggling to keep pace with novel and emerging variants. Small angle x-ray scattering (SAXS) in combination with molecular modeling is a useful tool to determine dynamic structures of macromolecules in solution. An important application of SAXS is to determine the conformational changes that occur when BLI bind to BL. To probe if conformational dynamics occur in class C cephalosporinases, we studied SAXS profiles of two clinically relevant class C β-lactamases, <i>Acinetobacter baumannii</i> ADC-7 and <i>Enterobacter cloacae</i> P99 in apo format complexed with BLIs. Importantly, SAXS data analysis demonstrated that in solution, these representative class C enzymes remain monomeric and did not show the associated assemblies that were seen in various crystal structures. SAXS data acquired for ADC-7 and P99, in apo and inhibitor bound states, clearly showed that these enzymes undergo detectable conformational changes, and these class C β-lactamases also close upon binding inhibitors as does BlaC. Further analysis revealed that addition of inhibitor led to the compacting of a range of residues around the active site, indicating that the conformational changes that both P99 and ADC-7 undergo are central to inhibitor recognition and efficacy. Our findings support the importance of exploring conformational changes using SAXS analysis in the design of future BLIs. Communicated by Ramaswamy H. Sarma
DOI: 10.57696/2pm0-p137
title: Dataset - Recreational handball-based training for people with type 2 diabetes: a feasibility trial
DOI: 10.6084/m9.figshare.23666256.v1
title: Supplementary Material for: Oxaliplatin-associated Takotsubo cardiomyopathy in a patient with metastatic gastric cancer: A Case Report

description: We present the case of a 64-year-old female with stage IV gastric adenocarcinoma, pulmonary and abdominal wall metastases, and no history of cardiovascular disease. In palliative care, she received systemic cytotoxic treatment with fluorouracil, leucovorin, oxaliplatin, and docetaxel protocol, which was well tolerated over five cycles. During cycle 6, she presented with cardiovascular symptoms with hemodynamic consequences while receiving oxaliplatin injection without docetaxel or 5-fluorouracil. She was transferred to the emergency department and then to the intensive care unit. She developed no complications during the hospital stay and was discharged after 10 days with preserved systolic function and no structural changes at the myocardial level. The electrocardiogram, echocardiogram, cardiac catheterization, and magnetic resonance imaging findings indicated an oxaliplatin-associated Tokotsubo syndrome. The immunochemistry analysis showed PD-L1 expression level TPS: 40% and The Foundation One genomic profiling revealed high mutation load, microsatellite instability, and HER2 not found. The patient is currently asymptomatic and on pembrolizumab monotherapy with good tolerance and partial treatment response.
DOI: 10.6084/m9.figshare.23665917.v1
title: Supplementary Material for: BRCA2 frameshift mutation in de novo small-cell neuroendocrine carcinoma of the prostate: a case report

description: A 66-year-old male was diagnosed with cT4N0M1b small-cell neuroendocrine carcinoma of the prostate. Four months after the administration of combined androgen blockade, multiple novel metastatic regions in the lung and liver and progression of bone metastasis were observed. The patient was referred to our hospital because of biochemical and radiographic progression after four cycles of docetaxel as a first-line therapy for castration-resistant prostate cancer. Transurethral resection of the prostate and hepatic biopsy revealed small-cell carcinoma with positive expression of neuroendocrine markers. The FoundationOne CDx next-generation sequencing test revealed several pathogenic variants, including BRCA2 (W1692fs*3), KEAP1 (R320W), and TP53 (C2385) mutation. After four cycles of chemotherapy with carboplatin plus etoposide (CE), the metastatic regions regressed markedly. The prostate-specific antigen (PSA) and neuron-specific enolase (NSE) level decreased by 96.9% and 91.6%, respectively. However, 2 months after the completion of four cycles of CE, elevation of tumor marker levels, and re-growth of the metastatic regions were observed. Although olaparib, a poly (ADP-ribose) polymerase inhibitor (PARPi), achieved a 45.2% decrease in NSE, the patient rejected to continue therapy because of G2 adverse events. After receiving an additional two cycles of CE and one cycle of cabazitaxel, the patient died because of cancer progression 24 months after the initial treatment for prostate cancer. Here, we present a case of BRCA2-altered small-cell neuroendocrine prostate cancer treated with both platinum-containing chemotherapy and PARPi. Both therapies achieved an initial response; however, durable responses were not obtained. Additional discussion regarding the optimal treatment strategy for BRCA-altered small-cell/neuroendocrine prostate cancer is required.
DOI: 10.6084/m9.figshare.23695524
title: Supplementary Material for: Dandy-Walker Malformation in a girl with DDX3X-related intellectual disability

description: We report on a 4 years old female patient who presented with severe intellectual disability, autistic features, hyperlaxity of joints and progressive scoliosis. Whole exome sequencing identified a novel de novo missense variant (c.976C&gt;T; p.Arg326Cys) in DDX3X. The girl was born with congenital diaphragmatic hernia a finding which had not previously been associated with variants in DDX3X. Her brain MRI showed hypogenesis of corpus callosum, ventriculomegaly, frontal and perisylvian polymicrogyria and hypoplastic pons in addition to Dandy-walker malformation. Our results confirmed the phenotype and genotype correlation of missense variants and the polymicrogyria. Moreover, it further expands the knowledge of the phenotypic and molecular features of DDX3X-related intellectual disability.