cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17639/nott.7389
title: Investigation of Recyclable Palladium Catalysts in C(sp3)–H Acetoxylation and Their Application in a One-Pot Redox-Relay Heck/Reductive Amination Sequence

description: Supporting NMR, MS, and IR data used in the generation of the PhD thesis "Investigation of Recyclable Palladium Catalysts in C(sp3)–H Acetoxylation and Their Application in a One-Pot Redox-Relay Heck/Reductive Amination Sequence" - by Thomas Butler.
DOI: 10.17639/nott.7407
title: Mechanistic investigations of the Fe(II) mediated synthesis of squaraines

description: Supporting information for the above paper. Contains all NMR, IR, EPR and Moessbauer spectra. For IR and NMR, raw data has been given as well as the processed files from mnova. For mass spec and CHN, the output reports are given after processing. For EPR and Moessbauer high resolution images are given.
DOI: 10.17639/nott.7412
title: Raw data for new compounds described in the paper "Enantioselective de novo synthesis of 14-hydroxy-6-oxomorphinans"

description: Raw data for new compounds described in the paper "Enantioselective de novo synthesis of 14-hydroxy-6-oxomorphinans"
DOI: 10.17639/nott.7274
title: Experimental data for the trial-resolution strategy inference paper

description: Behavioural data from two experimental datasets used in the paper: Lever-press task (rats). Not previously published, collected by Rebecca Hock in the lab of Tobias Bast. Stimulus-association task (non-human primate). Not previously published, a single session collected in the lab of Mark Buckley.
DOI: 10.17639/nott.7218
title: DFT data for "Interrogating the Crucial Interactions at Play in the Chiral Cation-Directed Enantioselective Borylation of Arenes"

description: This dataset contains Gaussian DFT output files of the ground-state and transition state DFT optimized structures for the paper "Interrogating the Crucial Interactions at Play in the Chiral Cation-Directed Enantioselective Borylation of Arenes" This dataset contains Gaussian DFT output files of the ground-state and transition state DFT optimized structures for the paper "Probing the Origins of Enantioselectivity in Chiral Cation-Directed Enantioselective Borylation using Ion-Paired Ligands for Iridium " The dataset contains 1693 files in total and is organised in one archive containing 71 separate folders – the full structure of the archive is shown below. There are twelve top level folders, corresponding to computational data for studies depicted in Figures 2, 3, 5, 6, 7, 8, 9, 10, 11 and S2 in the main paper and the SI, respectively. Folders "Fig7_amideQ_full_study", "Fig8_amideQD_full_study", “Fig11_phosphinamideQ_full_study", FigS2_phosphinamideQD_full_study" contain data for the full 260-atom system studies. Each of these folders contain "Gas_geometries" and "Solvent_geometries" subfolders, containing the oxidative addition transition state geometries optimized in gas phase or using SMD(diethylether) solvent model, respectively. The transition states in these subfolders are organized by the diastereoisomer of the transition state - AR, AS, CR and CS. Please see the main paper for fuller explanation of this nomenclature. Each of the lower level folders contain the output of a frequency calculation at B3LYP/6-31g*/SDD level in gas phase or with SMD(diethylether) solvent model (*freq001.out files), as well as single point calculation at M06/def2-TZVP/SMD(diethylether) level (*m06tzvp001.out files). All optimized geometries are also provided as *.sdf files for even better usability. All of the files can be opened in any text editor. Gaussian output structures can be viewed and the frequency modes visualised in GausView, Avogadro, jmol and in most other molecular viewers/editors. *.sdf files can be viewed in essentially all 3D molecular editors and viewers.
DOI: 10.17639/nott.7297
title: The Australian composers’ residency in HfMT, Hamburg, Germany

description: The project by DigiScore partner, Cat Hope was aimed at commissioning four Monash University early career composers/performers/researchers to perform in an ensemble concert in Hamburg. The project enabled the participants to hire technologists to assist them in the realisation of their digital score idea which could include Artificial Intelligence, Machine Learning, VR/AR/XR, etc. The participants did not have extensive experience in making digital scores with new technologies before therefore the project also looked into what this could bring to them as composers. In addition, DigiScore supported the final preparation and the performance which took place in Hamburg’s School for Music and Theatre (HfMT). In realisation of their digital scores there, participants benefitted from their peers and mentors' feedback as well as from HfMT’s multimedia faculty and community.
DOI: 10.17639/nott.7275
title: BRIGhTMIND trial-motivating mechanism of action analysis plan: Magnetic Resonance Spectroscopy

description: This is the acquired spectra processing and statistical analysis plans for the BRIGhTMIND clinical trial. It demonstrates hypotheses related with magnetic resonance spectroscopy (MRS) in the BRIGhTMIND and how to test the hypotheses. Detailed information about the BRIGhTMIND can be found in the published protocol paper (Morriss et al., 2020, doi: 10.1136/bmjopen-2020-038430). Imaging acquisition and analysis methods can be found in the magnetic resonance imaging protocol paper (Pszczolkowski et al., 2022, doi: 10.2196/31925).
DOI: 10.17639/nott.7409
title: Netronomia by Ethan Cayko
title: Networked digital score presented in collaboration with UC Santa Barbara and Beijing Conservatory of Music

description: Netronomia uses the Netronome, a networked metronome developed at UCSB by Ethan Cayko, to create a multi-city rhythmic work. It addresses the challenge of synchronising performers across different locations with varying latencies, making rhythmic accuracy difficult without adjustment. The Netronome facilitates calibration of timing relationships, enabling musicians to play together despite being physically apart. The Netronome introduces rhythmic offsets due to latency, resulting in performers experiencing different rhythmic versions of the same music. The Netronome challenges traditional notions of musical scores by materially structuring the temporal space between performers. Unlike traditional scores, it not only provides instructions for sound production but also regulates temporal relationships among performers. This feature could empower composers to craft desired rhythmic units and give musicians control over their performances, mitigating the impact of network latency on intentionality.
DOI: 10.17639/nott.7410
title: Recommendations from Cycles 1-3 of the Human Rights Council's Universal Periodic Review
title: References to UN entities in UPR Recommendations

description: The data in this spreadsheet includes recommendations made during the first three cycles of the Human Rights Council's UPR. For the first two cycles of UPR, the data was taken from the database created by UPR-Info. Data was coded to identify recommendations that explicitly refer to the work of the UN. It was also coded to identify recommendations that explicitly refer to the 'bases' of review as well as other international law documents. For the third cycle of UPR, data was taken from the UPR-Info database, as well as the OHCHR database. Only recommendations that referred explicitly to the work of the UN are included in the spreadsheet.
DOI: 10.17639/nott.7408
title: Experiencing the Future Mundane
title: EFM_Data_2023

description: Interview data collected for 50 participants who took part in the Experiencing the Future Mundane project https://imagination.lancaster.ac.uk/project/4313/
DOI: 10.17639/nott.7038
title: Guide Dogs on Holiday: Guide dog owner experiences in the travel and tourism sector

description: ISBN-13 9780853583325
description: This report presents findings from research on the user experience of travelling with a guide dog. Working in collaboration with The Guide Dogs for the Blind Association, the objectives of the project were to investigate guide dog owner confidence in travel situations and to examine the relationship of guide dog ownership to travel behaviour and decision-making. More broadly, the project identified areas of success, as well as key challenges and opportunities for improvement in the travel and tourism sector, and facilitated the exchange of knowledge on practical and legislative/policy issues for travel and tourism providers.
DOI: 10.17639/nott.7247
title: Molecular diffusion and self-assembly: Quantifying the influence of substrate hcp and fcc atomic stacking

description: Molecular diffusion is a fundamental process underpinning surface-confined molecular self-assembly and synthesis. Substrate topography influences molecular assembly, alignment, and reactions; with the relationship between topography and diffusion linked to the thermodynamic evolution of such processes. Here, we observe preferential adsorption sites for tetraphenylporphyrin (2H-TPP) on Au(111) and interpret nucleation and growth of molecular islands at these sites in terms of spatial variation in diffusion barrier; driven by local atomic arrangements of the Au(111) surface (the 22 X sqrt{3} `herringbone' reconstruction). Variable-temperature scanning tunnelling microscopy facilitates characterisation of molecular diffusion, and Arrhenius analysis allows quantitative characterisation of diffusion barriers within fcc and hcp regions of the surface reconstruction (where the in-plane arrangement of the surface atoms is identical, but the vertical stacking differs). The higher barrier for diffusion within fcc locations underpins the ubiquitous observation of preferential island growth within fcc regions, demonstrating the relationship between substrate-structure, diffusion, and molecular self-assembly.
DOI: 10.17639/nott.6481
title: An in vivo systematic genetic analysis of tumour progression in Drosophila - RNAi line: 9784R-1

description: This data set forms part of the larger 'Fly Cancer Screen' data set, which consists of over 700 image sets
description: Metastasis is the leading cause of death for cancer patients. Consequently it is imperative that we improve our understanding of the molecular mechanisms that underlie progression of tumour growth towards malignancy. Advances in genome characterisation technologies have been very successful in identifying commonly mutated or misregulated genes in a variety of human cancers. A major challenge however is the translation of these findings to new biological insight due to the difficulty in evaluating whether these candidate genes drive tumour progression. Using the genetic amenability of Drosophila melanogaster we generated tumours with specific genotypes in the living animal and carried out a detailed systematic loss-of-function analysis to identify numerous conserved genes that enhance or suppress epithelial tumour progression. This enabled the discovery of functional cooperative regulators of invasion and the establishment of a network of conserved ‘invasion suppressors’. RNAi line: 9784R-1 (III) Source: NIG Name: CG9784 (1) Full name: Also known as: lincRNA.S9473 Annotation symbol: CG9784 FlyBase ID: FBgn0030761 File naming convention: File names typically contain representations of date (DDMMYY), RNAi Line, Animal Number and, in some cases, window (to accommodate larger samples that require multiple image stacks)
DOI: 10.17639/nott.6500
title: An in vivo systematic genetic analysis of tumour progression in Drosophila - RNAi line: 4138

description: This data set forms part of the larger 'Fly Cancer Screen' data set, which consists of over 700 image sets
description: Metastasis is the leading cause of death for cancer patients. Consequently it is imperative that we improve our understanding of the molecular mechanisms that underlie progression of tumour growth towards malignancy. Advances in genome characterisation technologies have been very successful in identifying commonly mutated or misregulated genes in a variety of human cancers. A major challenge however is the translation of these findings to new biological insight due to the difficulty in evaluating whether these candidate genes drive tumour progression. Using the genetic amenability of Drosophila melanogaster we generated tumours with specific genotypes in the living animal and carried out a detailed systematic loss-of-function analysis to identify numerous conserved genes that enhance or suppress epithelial tumour progression. This enabled the discovery of functional cooperative regulators of invasion and the establishment of a network of conserved ‘invasion suppressors’. RNAi line: 4138 (III) Source: VDRC Name: ct (1) Full name: cut Also known as: Cut, kf Annotation symbol: CG11387 FlyBase ID: FBgn0004198 File naming convention: File names typically contain representations of date (DDMMYY), RNAi Line, Animal Number and, in some cases, window (to accommodate larger samples that require multiple image stacks)
DOI: 10.17639/nott.6480
title: An in vivo systematic genetic analysis of tumour progression in Drosophila - RNAi line: 3359

description: This data set forms part of the larger 'Fly Cancer Screen' data set, which consists of over 700 image sets
description: Metastasis is the leading cause of death for cancer patients. Consequently it is imperative that we improve our understanding of the molecular mechanisms that underlie progression of tumour growth towards malignancy. Advances in genome characterisation technologies have been very successful in identifying commonly mutated or misregulated genes in a variety of human cancers. A major challenge however is the translation of these findings to new biological insight due to the difficulty in evaluating whether these candidate genes drive tumour progression. Using the genetic amenability of Drosophila melanogaster we generated tumours with specific genotypes in the living animal and carried out a detailed systematic loss-of-function analysis to identify numerous conserved genes that enhance or suppress epithelial tumour progression. This enabled the discovery of functional cooperative regulators of invasion and the establishment of a network of conserved ‘invasion suppressors’. RNAi line: 3359 (III) Source: VDRC Name: CG9701 (2) Full name: Also known as: Annotation symbol: CG9701 FlyBase ID: FBgn0036659 File naming convention: File names typically contain representations of date (DDMMYY), RNAi Line, Animal Number and, in some cases, window (to accommodate larger samples that require multiple image stacks)
DOI: 10.17639/nott.7083
title: Designing topographically textured microparticles for induction and modulation of osteogenesis in mesenchymal stem cell engineering

description: Please contact authors for .czi and histology files
description: Dataset contains raw and processed data used for the creation of figures in publication entitled 'Designing topographically textured microparticles for induction and modulation of osteogenesis in mesenchymal stem cell engineering'
DOI: 10.17639/nott.7098
title: Raw data for new compounds described in the paper "Enantioselective Nickel-Catalyzed anti-Arylmetallative Cyclizations onto Acyclic Ketones"

description: Raw data for new compounds described in the paper "Enantioselective Nickel-Catalyzed anti-Arylmetallative Cyclizations onto Acyclic Ketones"
DOI: 10.17639/nott.7095
title: Data for Coordinate Density Analysis
title: CDA data

description: Coordinate files used in the Coordinate Density Data
DOI: 10.17639/nott.7088
title: BRIGhTMIND baseline imaging analysis plan

description: Documented analysis plan and approach for the interim analysis of baseline neuroimaging data from the BRIGhTMIND TMS trial.
DOI: 10.17639/nott.7092
title: Remote sensing liana infestation in an a seasonal tropical forest: addressing mismatch in spatial units of analyses

description: All data and R scripts for the processing of airborne hyperspectral/lidar data and modelling of the spatial distribution of liana infestation in Sabah, Malaysia.
DOI: 10.17639/nott.7094
title: Iron‐catalysed radical polymerisation by living bacteria

description: Fe ATRP under biological conditions, optimisation and application of bacterial cells in initiation. Different parameters explored including bacteria type, concentration, different monomers and catalyst concentrations
DOI: 10.17639/nott.7091
title: 3D woven optimisation deposit

description: Data for optimisation paper. PBC optimisation data folder contains the results of flat weave optimisation using PBC and any related data. HPC optimisation data folder contains any data relating to the delamination optimisation and the cohesive mesh sensitivity study.
DOI: 10.17639/nott.7085
title: Predictors of outcome of aquaporin-4-IgG-positive neuromyelitis optica spectrum disorder in the United Kingdom Midlands population
title: NMO predictors

description: Aimed protocol for assessing predictors of outcome, and differences between early- and late-onset NMOSD AqpIgG4 positive patient groups, in an East Midlands cohort of people with antibody positive NMOSD (two centres: Nottingham and Birmingham)
DOI: 10.17639/nott.7419
title: Economic Research Centre 4-wave Survey Data from Employers in England (2020-2023): Line Manager Training in Mental Health and Organisational Outcomes
title: Mental health at work: a longitudinal exploration of line manager training provisions and impacts on productivity, individual and organizational outcomes. Data from TPI paper 3: “The Relationship between Line Manager Training in Mental Health and Organisational Outcomes”.

description: There are multiple papers associated with this sub-study: “Mental health at work: a longitudinal exploration of line manager training provisions and impacts on productivity, individual and organizational outcomes”. Each paper is associated with a separate dataset, which includes only the variables used within that specific paper. This metadata record refers only to the dataset associated with the third paper entitled: “The Relationship between Line Manager Training in Mental Health and Organisational Outcomes”.
description: Line manager (LM) training in mental health is gaining recognition as an effective method for improving the mental health and wellbeing of workers. However, research predominantly focuses on the impacts of training at the employee-level, often neglecting the broader organisational-level outcomes. Most studies derive insights from LMs using self-reported data, with very few studies examining impacts on organisational-level outcomes. We aimed to explore the relationship between LM training in mental health and organisational-level outcomes using company-level data from a diverse range of organisations. This dataset was for secondary analysis of anonymised panel survey data from firms in England, with data derived from computer-assisted telephone surveys over four waves (2020, 1899 firms; 2021, 1551; 2022, 1904; and 2023, 1902). The analysis merged the four datasets to control for temporal variations. Probit regression was conducted including controls for age of organisation, sector, size, and wave to isolate specific relationships of interest.
DOI: 10.17639/nott.7413
title: Data used in “An Investigation into the Erosion and Wear Mechanisms Observed in Abradable Ytterbium Disilicate Environmental Barrier Coatings”

description: Wear test data used in “An Investigation into the Erosion and Wear Mechanisms Observed in Abradable Ytterbium Disilicate Environmental Barrier Coatings”
DOI: 10.17639/nott.7414
title: Point Line Piano by Jarek Kapuscinski
title: VR piece in collaboration with OpenEndedGroup

description: Point Line Piano is an interactive VR project merging drawing and music, creating a vibrant, multisensory environment. Users draw points and lines in VR, activating musical notes and creating complex visuals. The project aims to stimulate multi-sensory creativity and foster a connection with abstraction. It transforms creativity by integrating composing, performing, and viewing into one experience, allowing everyone to be a composer, performer, and viewer. It supports inclusive music-making, welcoming diverse participants, and plans to become more accessible in the future.
DOI: 10.17639/nott.7417
title: Characterisation of aroma-active compounds in dried Dendrobium spp. stems (Shihu) using GC-Olfactometry and a modified NIF-SNIF method

description: Gas Chromatography-Olfactometry; Odour perception; Volatile compounds
DOI: 10.17639/nott.7420
title: A pilot study to identify MRI derived imaging features that drive the significant association between brain health and dementia related risk factors

description: The study protocol for a pilot study to identify the MRI based imaging derived phenotypes which drive the significant association between brain health and modifiable risk factors that related to dementia.
DOI: 10.17639/nott.7418
title: A cross-cultural comparison of change detection in driving and non-driving scenes

description: The aim of the research was to compare change detection in driving and non-driving tasks between participants from the UK and Malaysia. Data presented are from two studies, both of which were conducted online. In study 1 participants were presented with driving related stimuli, whereas Study 2 involved participants being presented with driving and non-driving stimuli.
DOI: 10.17639/nott.7394
title: Identification of a discrete population of CD8+ effector memory cells linked to immune checkpoint inhibitor-induced liver injury

description: Anonymised mass cytometry data collected from patients with drug-induced liver injury and autoimmune hepatitis, and associated controls. Data acquired using a Helios mass cytometer on whole blood samples stained using the Maxpar Direct Immune Profiling assay kit. Samples have been preprocessed (normalisation, gating on gaussian parameters and live/dead stain), and values have been arcsinh transformed with a cofactor of 5, no further filtering or clustering has been carried out.
DOI: 10.15468/dl.2une9a
title: Occurrence Download

description: A dataset containing 18 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Thunnus alalunga (Bonnaterre, 1788)",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 18 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007293-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17639/nott.7393
title: Proximal. amino acid and fatty acid content from Neltuma pods from Mexico, Kenya and Tanzania – Field Season June-November 2019

description: Mature Neltuma pods were grinded and analysed to detect differences between Neltuma flours collected from Mexico, Kenya and Tanzania and to compare with published data from Wheat and Soybean.
DOI: 10.17639/nott.7395
title: Raw data for Controlling noncollinear ferromagnetism in van der Waals metal–organic magnets

description: Raw diffraction and magnetic data with analysis notebooks for the above paper
DOI: 10.17639/nott.7398
title: Data for Encapsulation of copper phenanthroline within horse spleen apoferritin: characterisation, cytotoxic activity and ability to retain temozolomide

description: In this work, we investigate the encapsulation of a Cu(II)-phenanthroline complex (Cu(phen)(NO3)2) within HSAFt, as a potential vector for the delivery of anticancer agents. We immobilise Cu(II) within the protein as a metal complex with 1,10-phenanthroline, to form HSAFt-Cu(phen) dense particles that can be stored for months at low temperature (-20 °C). We subsequently characterise HSAFt-Cu(phen) by drug release studies and cytotoxicity assays against colorectal cancer cells and glioblastoma multiforme cells. We also investigate whether the presence of Cu(phen) inside HSAFt can offer additional benefits for the encapsulation and antitumour activity of anticancer drugs such as temozolomide (TMZ).