cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2h1r0b
title: CCDC 2295581: Experimental Crystal Structure Determination

description: Related Article: Jannis Kroon, Marc Schmidtmann, Rüdiger Beckhaus|2023|CSD Communication|||
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: 10.5519/qd.wq8762vu
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (3737 records)
DOI: 10.5517/ccdc.csd.cc2h1r2d
title: CCDC 2295583: Experimental Crystal Structure Determination

description: Related Article: Wei Jie Teo, Pau Sarró, Norman Díaz, Zhaofeng Wang, Marcos G. Suero|2023|CSD Communication|||
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.cc2h1r4g
title: CCDC 2295585: Experimental Crystal Structure Determination

description: Related Article: Clarissa Kroll, Marc Schmidtmann, Rüdiger Beckhaus|2023|CSD Communication|||
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: 10.5519/qd.ezkozkxa
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (3737 records)
DOI: 10.5519/qd.nku0dzfv
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (3737 records)
DOI: 10.34740/kaggle/dsv/7337169
title: Billboard
DOI: 10.5281/zenodo.10458430
title: Appendix to: Auerochs hunting in the Niers valley near Mönchengladbach (Lower Rhine Embayment  western Germany) during the Early Mesolithic
DOI: 10.6084/m9.figshare.24942450
title: Table S1: Pedostratigraphic age model for Devonian red beds of northwest China

description: Table S1.
DOI: 10.6084/m9.figshare.24942453
title: Table S3: Pedostratigraphic age model for Devonian red beds of northwest China

description: Table S3.
DOI: 10.5517/ccdc.csd.cc2h1vfv
title: CCDC 2295687: Experimental Crystal Structure Determination

description: Related Article: Jan Schürmann, Marc Schmidtmann, Rüdiger Beckhaus|2023|CSD Communication|||
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.10458429
title: Appendix to: Auerochs hunting in the Niers valley near Mönchengladbach (Lower Rhine Embayment  western Germany) during the Early Mesolithic
DOI: 10.5517/ccdc.csd.cc2h1wfw
title: CCDC 2295718: Experimental Crystal Structure Determination

description: Related Article: Malik Williams|2023|CSD Communication|||
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.cc2h25j9
title: CCDC 2296000: Experimental Crystal Structure Determination

description: Related Article: Wenhao Yan, Jeanette A. Krause, Wei Liu|2023|CSD Communication|||
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.cc2h2b42
title: CCDC 2296143: Experimental Crystal Structure Determination

description: Related Article: Morteza  tahmasebi|2023|CSD Communication|||
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.cc2h2761
title: CCDC 2296052: Experimental Crystal Structure Determination

description: Related Article: Chengfeng Zhu|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.6084/m9.figshare.24942453.v1
title: Table S3: Pedostratigraphic age model for Devonian red beds of northwest China

description: Table S3.
DOI: 10.6084/m9.figshare.24886893
title: Supplementary Material for: Effectiveness of Schema Therapy vs Cognitive Behavioral Therapy vs Supportive Therapy for Depression in an Inpatient and Day Clinic Setting: A Randomized Clinical Trial

description: Introduction: Schema therapy (ST) reduces depressive symptoms, but clinical trials have not investigated its effectiveness for patients suffering from severe forms of depression and high rates of comorbidities. There is high demand for exploring and improving treatments for this patient group. The objective of the current study is to evaluate whether ST is more effective than individual supportive therapy (IST) and non-inferior compared with cognitive behavioral therapy (CBT) in treating depression.
Methods: For this clinical trial, medicated patients were recruited in inpatient and day clinics setting. Major inclusion criteria were age between 18 and 75 years and primary diagnosis of depression without psychotic symptoms. A total of 292 participants were randomized to ST, CBT or IST and received 7 weeks of psychotherapy (up to 14 individual and 14 group sessions). Primary outcome was change in depression severity after treatment measured by Beck Depression Inventory (BDI-II). Primary test for efficacy was superiority of ST over IST. Secondary test was non-inferiority of ST compared with CBT. Multilevel modelling was conducted. Results at 6-months follow up were explored. 
Results: Across treatment, ST was not superior to IST. Secondary outcome analyses and completer analyses showed similar results. However, ST showed clinically relevant non-inferiority compared with CBT. 
Conclusion: ST for depression as part of a psychiatric care program showed clinical non-inferiority compared to CBT, without being superior to IST. ST represents a potentially useful addition to the therapeutic repertoire for the treatment of depression, but its efficacy, including long-term efficacy, should be evaluated further.
DOI: 10.6084/m9.figshare.24893229
title: Supplementary Material for: Histiocytosis Presenting as Bilateral Adrenal Masses: A Case Report

description: Adrenal masses are a rare diagnosis in children, with bilateral masses even less common. At present, appearance of the mass on imaging and histology can give important clues to the diagnosis, however there is significant overlap in 10-30% of cases and it can be difficult to distinguish benign from malignant adrenal masses. As a result, the clinical presentation remains a large part of the diagnostic process, as well as thorough Endocrinology evaluation to determine if the tumor is functional versus non-functioning. We present a recent case of bilateral adrenal masses in a pediatric patient at our institution, with an unusual diagnosis of Histiocytosis. In this case the diagnosis was unclear, until genetic testing and pathology allowed for expedient diagnosis and targeted therapy for this patient.
DOI: 10.6084/m9.figshare.24893229.v1
title: Supplementary Material for: Histiocytosis Presenting as Bilateral Adrenal Masses: A Case Report

description: Adrenal masses are a rare diagnosis in children, with bilateral masses even less common. At present, appearance of the mass on imaging and histology can give important clues to the diagnosis, however there is significant overlap in 10-30% of cases and it can be difficult to distinguish benign from malignant adrenal masses. As a result, the clinical presentation remains a large part of the diagnostic process, as well as thorough Endocrinology evaluation to determine if the tumor is functional versus non-functioning. We present a recent case of bilateral adrenal masses in a pediatric patient at our institution, with an unusual diagnosis of Histiocytosis. In this case the diagnosis was unclear, until genetic testing and pathology allowed for expedient diagnosis and targeted therapy for this patient.
DOI: 10.6084/m9.figshare.24886359
title: Supplementary Material for: A case of immune-related aseptic meningitis during atezolizumab plus bevacizumab for hepatocellular carcinoma

description: ntroduction; Immune checkpoint inhibitors are sometimes associated with immune-related adverse events during or after treatment. Among these, aseptic meningitis is a rare and serious complication. We report the first case of atezolizumab-induced aseptic meningitis which occurred during treatment for advanced hepatocellular carcinoma (HCC). 
Case Presentation: A 74-year-old woman diagnosed with advanced HCC and treated with first-line atezolizumab plus bevacizumab developed anorexia, fatigue, and fever, after three treatment cycles. Cerebrospinal fluid examination showed slightly increased cell count and protein level but no infection or malignancy. Contrast enhancement along the cerebral sulcus was evident in contrast-enhanced magnetic resonance imaging, and the patient was diagnosed with aseptic meningitis associated with atezolizumab. Steroid therapy soon improved her clinical symptoms, and the contrast-enhancement along the cerebral sulcus disappeared. 
Conclusion: Clinicians should monitor to avoid serious immune-related adverse events, such as aseptic meningitis, in patients during treatment of HCC with immune checkpoint inhibitors and make the diagnosis as soon as possible.
DOI: 10.6084/m9.figshare.24886359.v1
title: Supplementary Material for: A case of immune-related aseptic meningitis during atezolizumab plus bevacizumab for hepatocellular carcinoma

description: ntroduction; Immune checkpoint inhibitors are sometimes associated with immune-related adverse events during or after treatment. Among these, aseptic meningitis is a rare and serious complication. We report the first case of atezolizumab-induced aseptic meningitis which occurred during treatment for advanced hepatocellular carcinoma (HCC). 
Case Presentation: A 74-year-old woman diagnosed with advanced HCC and treated with first-line atezolizumab plus bevacizumab developed anorexia, fatigue, and fever, after three treatment cycles. Cerebrospinal fluid examination showed slightly increased cell count and protein level but no infection or malignancy. Contrast enhancement along the cerebral sulcus was evident in contrast-enhanced magnetic resonance imaging, and the patient was diagnosed with aseptic meningitis associated with atezolizumab. Steroid therapy soon improved her clinical symptoms, and the contrast-enhancement along the cerebral sulcus disappeared. 
Conclusion: Clinicians should monitor to avoid serious immune-related adverse events, such as aseptic meningitis, in patients during treatment of HCC with immune checkpoint inhibitors and make the diagnosis as soon as possible.
DOI: 10.6084/m9.figshare.24942378
title: <i>Velutinus</i>, a novel genus in Patellariopsidaceae from the medicinal plants in Sichuan Province, China

description: <i>Velutinus sichuanensis</i> gen. et sp. nov. was collected from dead branches of the medicinal plant<i> Loropetalum chinense</i> var. <i>rubrum</i> (Hamamelidaceae) in Sichuan Province, China. Molecular phylogenetic analyses based on the combined ITS and LSU sequences data showed that <i>Velutinus </i>forms a distinct lineage in Patellariopsidaceae, Helotiales, Leotiomycetes. Hereby, a new genus, <i>Velutinus</i>, is introduced to accommodate <i>V. sichuanensis</i> based on morphological characteristics and multi-gene phylogenetic analyses. Detailed descriptions and illustrations of the new taxa are provided.
DOI: 10.34740/kaggle/dsv/7337274
title: 2021 World Population (updated daily)
DOI: 10.6084/m9.figshare.24942498
title: Supplementary material.docx

description: Supplementary Material: Variants in <i>BRCA1/2 </i>in a hospital-based cohort in Chile and national literature review.Fernanda J. Martin<sup>1</sup>, Isabel M. Saffie<sup>2</sup>, Mabel A. Hurtado<sup>1,2</sup>, Diana S. Ávila<sup>3</sup>, Rodrigo A. Lagos<sup>4</sup>, Carolina A. Selman<sup>5</sup>, Jonathan Z. Huserman<sup>6</sup>, Valentina A. Castillo<sup>7,8, </sup>, Badir J. Chahuán<sup>1,2</sup>.
DOI: 10.6084/m9.figshare.24598866
title: The Genome annotations, along with predicted coding sequences and protein sequences

description: Triplophysa yarkandensis genome annotation file
DOI: 10.6084/m9.figshare.24598866.v1
title: The Genome annotations, along with predicted coding sequences and protein sequences

description: Triplophysa yarkandensis genome annotation file
DOI: 10.5281/zenodo.10454080
title: Datasets of positive and negative miRNA-target interactions

description: MicroRNAs (miRNAs) are small non-coding RNAs that regulate gene expression post-transcriptionally via base-pairing with complementary sequences on messenger RNAs (mRNAs). Computational approaches that predict miRNA target interactions (MTIs) facilitate the process of narrowing down potential targets for experimental validation. The availability of new datasets of high-throughput, direct MTIs has led to the development of machine learning (ML) based methods for MTI prediction. To train an ML algorithm, there is a need to supply entries from all class labels (i.e., positive and negative). Currently, no high-throughput assays exist for capturing negative examples, hindering effective classifier construction. Therefore, current ML approaches must rely on artificially generated negative examples for training. Moreover, the lack of uniform standards for generating such data leads to biased results and hampers comparisons between studies.  We investigated the impact of different methods to generate negative data on the classification of true MTIs. The study relies on training ML models on a fixed positive dataset in combination with different negative datasets and evaluating their intra- and cross-dataset performance. As a result, we were able to examine each method independently and evaluate ML models’ sensitivity to the methodologies utilized in negative data generation.

This data includes all the negative datasets generated by the different methods and the positive data that was used (folder Data.zip).In addition, we uploaded all the train and test files that we used to train and test the models (folder Train_Test_files.zip).
DOI: 10.5281/zenodo.8199847
title: Datasets of positive and negative miRNA-target interactions

description: MicroRNAs (miRNAs) are small non-coding RNAs that regulate gene expression post-transcriptionally via base-pairing with complementary sequences on messenger RNAs (mRNAs). Computational approaches that predict miRNA target interactions (MTIs) facilitate the process of narrowing down potential targets for experimental validation. The availability of new datasets of high-throughput, direct MTIs has led to the development of machine learning (ML) based methods for MTI prediction. To train an ML algorithm, there is a need to supply entries from all class labels (i.e., positive and negative). Currently, no high-throughput assays exist for capturing negative examples, hindering effective classifier construction. Therefore, current ML approaches must rely on artificially generated negative examples for training. Moreover, the lack of uniform standards for generating such data leads to biased results and hampers comparisons between studies.  We investigated the impact of different methods to generate negative data on the classification of true MTIs. The study relies on training ML models on a fixed positive dataset in combination with different negative datasets and evaluating their intra- and cross-dataset performance. As a result, we were able to examine each method independently and evaluate ML models’ sensitivity to the methodologies utilized in negative data generation.

This data includes all the negative datasets generated by the different methods and the positive data that was used (folder Data.zip).In addition, we uploaded all the train and test files that we used to train and test the models (folder Train_Test_files.zip).
DOI: 10.34740/kaggle/dsv/7337310
title: YouTube Trending Video Dataset (updated daily)
DOI: 10.6084/m9.figshare.24942450.v1
title: Table S1: Pedostratigraphic age model for Devonian red beds of northwest China

description: Table S1.
DOI: 10.6084/m9.figshare.24942447.v1
title: Table S2: Pedostratigraphic age model for Devonian red beds of northwest China

description: Table S2.
DOI: 10.6084/m9.figshare.24942399.v1
title: Supplementary material 2: Magnetic fabric of OPS mélanges: a tool for unravelling protracted histories of oceanic plates from sea-floor spreading to tectonic emplacement into accretionary wedges

description: Supplementary material 2: Measured AMS data.
DOI: 10.6084/m9.figshare.24942389.v1
title: Supplementary material 2: Magnetic fabric of OPS mÃ©langes: a tool for unravelling protracted histories of oceanic plates from sea-floor spreading to tectonic emplacement into accretionary wedges

description: Supplementary material 2: Measured AMS data.
DOI: 10.17028/rd.lboro.24942366.v1
title: Supplementary information files for An investigation into the adsorption mechanism of <i>n</i>-butanol by ZIF-8: a combined experimental and <i>ab</i> <i>initio</i> molecular dynamics approach

description: © the authors, CC-BY 3.0Supplementary files for article An investigation into the adsorption mechanism of <i>n</i>-butanol by ZIF-8: a combined experimental and <i>ab</i> <i>initio</i> molecular dynamics approachThe zeolitic imidazolate framework, ZIF-8, has been shown by experimental methods to have a maximum saturation adsorption capacity of 0.36 g g<sup>−1</sup> for <i>n</i>-butanol from aqueous solution, equivalent to a loading of 14 butanol molecules per unit cell or 7 molecules per sodalite β-cage. Diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) shows the presence of hydrogen bonding between adsorbed butanol molecules within the cage; the presence of three different O–H stretching modes indicates the formation of butanol clusters of varying size. <i>Ab initio</i> molecular dynamics simulations show the formation of intermolecular hydrogen bonding between the butanol molecules, with an average hydrogen-bond coordination number of 0.9 after 15 ps simulation time. The simulations also uniquely demonstrate the presence of weaker interactions between the alcohol O–H group and the π-orbital of the imidazole ring on the internal surface of the cage during early stages of adsorption. The calculated adsorption energy per butanol molecule is −33.7 kJ mol<sup>−1</sup>, confirming that the butanol is only weakly bound, driven primarily by the hydrogen bonding. Solid-state MAS NMR spectra suggest that the adsorbed butanol molecules possess a reasonable degree of mobility in their adsorbed state, rather than being rigidly held in specific sites. 2D <sup>13</sup>C–<sup>1</sup>H heteronuclear correlation (HETCOR) experiments show interactions between the butanol aliphatic chain and the ZIF-8 framework experimentally, suggesting that O–H interactions with the π-orbital are only short lived. The insight gained from these results will allow the design of more efficient ways of recovering and isolating n-butanol, an important biofuel, from low-concentration solutions.
DOI: 10.17028/rd.lboro.24942324.v1
title: Supplementary information files for Catalytic prenylation of natural polyphenols

description: © the authors, CC-BY NC 3.0Supplementary files for article Catalytic prenylation of natural polyphenolsPrenylated polyphenols occur naturally and exhibit biological activity superior to the ubiquitous parent polyphenols. However, their low abundance limits the wider application of these derivatives. In this work, we present an expedient, single-step catalytic protocol for introducing terpene fragments into the aromatic rings of the widely available natural stilbenoids and flavonoids to upgrade their therapeutic potential.
DOI: 10.6084/m9.figshare.24942195.v1
title: COMSOL Fringing Electric Fields in BTO

description: A dataset extracted from COMSOL Multiphysics of fringing electric fields inside a Barium Titanate slab waveguide. The fields were used to calculate intricate patterns capable of coupling light out of the waveguide. Both 2D and 3D data is included.
DOI: 10.6084/m9.figshare.19154153.v1
title: Thalamic Aphasia

description: Normalized lesion data and lesion networks (MNI Space) and clinical data for patients with and without language impairments after thalamic stroke.
DOI: 10.6084/m9.figshare.24942447
title: Table S2: Pedostratigraphic age model for Devonian red beds of northwest China

description: Table S2.
DOI: 10.6084/m9.figshare.24942399
title: Supplementary material 2: Magnetic fabric of OPS mélanges: a tool for unravelling protracted histories of oceanic plates from sea-floor spreading to tectonic emplacement into accretionary wedges

description: Supplementary material 2: Measured AMS data.
DOI: 10.6084/m9.figshare.24942315
title: Table S2: Coherent underplating of HP-LT blueschist packages and basement during Hellenic subduction recorded by zircon U-Pb data, Pelion, Greece

description: Table S2.
DOI: 10.6084/m9.figshare.24941982
title: Data Repository

description: We herein assessed morphological and semi-automatized quantification using QUPATH software of tumor budding in pancreatic carcinoma.In this studied, we demonstrated no statistically significant association between both methods.We also found a significant association of tumor budding in pancreatic carcinoma and overall survival.Our results suggest that tumor budding should be included in prognostic factors of pancreatic carcinomas.
DOI: 10.6084/m9.figshare.24941793
title: species.csv

description: The study was conducted at the Gansu Gannan Grassland Ecosystem National Observation and Research Station, Gansu Province, China (33°44′N, 101°52′E, 3,550 m a.s.l.). The study was conducted in July and August 2018. In the study site, five 20 m × 25 m plots at least 1 km apart were haphazardly selected, and subsequent data collection and field sampling were conducted twice within each plot (one survey per month).
DOI: 10.15131/shef.data.24517033
title: Data Driven Modelling of Distribution System Considering a High Penetration of Renewable Energy Sources for Control Applications: appendices.

description: These appendices show the results of simulating time-series data in a distribution system under different configurations and system perturbations with participation of inverter-based technology (PVs). The obtained results after applying the proposed metrics and data-driven modelling approach are also presented in this document.