cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17639/nott.57
title: Evaluating the multiple benefits of a Newcastle SuDS scheme
title: Evaluating the multiple benefits of a sustainable drainage scheme in Newcastle, UK

description: Sustainable Drainage Systems (SuDS) and Blue-Green infrastructure (BGI) provide a range of environmental, economic and social benefits in addition to managing water quantity and quality. Recognition of the multifunctionality of SuDS and BGI, and the specific benefits that may accrue to different beneficiaries, may facilitate partnership working towards multifunctional infrastructure that meets the strategic objectives of public and private organisations. We evaluate the multiple benefits of the Killingworth and Longbenton surface water management scheme, a Partnership Project in NE England jointly funded by Northumbrian Water, the Environment Agency and North Tyneside Council. Using CIRIA’s Benefits of SuDS Tool (BeST) and the Blue-Green Cities Multiple Benefits GIS Toolbox, we a) quantify and monetise six key benefits, b) assess two qualitative benefits, c) illustrate the spatial distribution of five non-flood benefits, and d) highlight locations with the greatest opportunity for multi-beneficial intervention. The Killingworth and Longbenton scheme generates; significant flood damage reduction benefits; improves water quality, habitat size, carbon sequestration, attractiveness of the area and property prices (amenity), and; reduces noise pollution. Utilisation of these complementary tools for multiple benefit evaluation shows promise as an aid to facilitate partnership working towards implementation of multifunctional SuDS and BGI.
DOI: 10.17639/nott.319
title: Raw data relating to Biomaterials Science paper - Bioreducible cross-linked core polymer micelles enhance in vitro activity of methotrexate in breast cancer cells

description: Experimental data used in Gulfam M. et al. Biomater. Sci., 2017, 5, 532–550 NMR, GPC, DLS and key physical science data. Cell culture studies supporting figures in the paper
DOI: 10.17639/nott.40
title: Emergence of cooperative dynamics in fully packed classical dimers

description: We study the behavior of classical dimer coverings of the square lattice - a paradigmatic model for systems subject to constraints - evolving under local stochastic dynamics, by means of Monte Carlo simulations and theoretical arguments. We observe clear signatures of correlated dynamics in both global and local observables and over a broad range of time scales, indicating a breakdown of the simple continuum description that approximates well the statics. We show that this collective dynamics can be understood in terms of one-dimensional "strings" of high mobility, which govern both local and long-wavelength dynamical properties. We introduce a coarse-grained description of the strings, based on the Edwards-Wilkinson model, which leads to exact results in the limit of low string density and provides a detailed qualitative understanding of the dynamics in all flux sectors. We discuss the implications of our results for the dynamics of constrained systems more generally. The deposited data are Monte Carlo results for height correlations, persistence, and related observables.
DOI: 10.17639/nott.330
title: Raw data for new compounds described in the paper: "Enantioselective rhodium-catalyzed coupling of arylboronic acids, 1,3-enynes, and imines by alkenyl-to-allyl 1,4-rhodium(I) migration"

description: Raw data for new compounds described in the paper: "Enantioselective rhodium-catalyzed coupling of arylboronic acids, 1,3-enynes, and imines by alkenyl-to-allyl 1,4-rhodium(I) migration".
DOI: 10.17639/nott.35
title: Strain-engineered graphene grown on hexagonal boron nitride by molecular beam epitaxy

description: Graphene grown by high temperature molecular beam epitaxy on hexagonal boron nitride (hBN) forms continuous domains with dimensions of order 20 μm, and exhibits moiré patterns with large periodicities, up to ~30 nm, indicating that the layers are highly strained. Topological defects in the moiré patterns are observed and attributed to the relaxation of graphene islands which nucleate at different sites and subsequently coalesce. In addition, cracks are formed leading to strain relaxation, highly anisotropic strain fields, and abrupt boundaries between regions with different moiré periods. These cracks can also be formed by modification of the layers with a local probe resulting in the contraction and physical displacement of graphene layers. The Raman spectra of regions with a large moiré period reveal split and shifted G and 2D peaks confirming the presence of strain. Our work demonstrates a new approach to the growth of epitaxial graphene and a means of generating and modifying strain in graphene.
DOI: 10.17639/nott.343
title: Identification of novel ‘inks’ for 3D printing using high throughput screening: bioresorbable photocurable polymers for controlled drug delivery

description: Experimental data: Rheology, ToF-SIMS, drug release data, NMR, GPC, DMT Modulus, cytotoxicity
DOI: 10.17639/nott.63
title: 6-2 second generation array data, SIMS and cellular

description: General aims of the paper was high throughput screening of poly(acrylates) to assess their suitability as substrates for maintenance and maturation of human stem cell derived cardiomyocytes. The data file includes surface analysis using ToF-SIMS of the second generation array and corresponding cell adhesion and size on the substrates.
DOI: 10.17639/nott.327
title: Eigenstate thermalization hypothesis in quantum dimer models

description: We use exact diagonalization to study the eigenstate thermalization hypothesis (ETH) in the quantum dimer model on the square and triangular lattices. Due to the nonergodicity of the local plaquette-flip dynamics, the Hilbert space, which consists of highly constrained close-packed dimer configurations, splits into sectors characterized by topological invariants. We show that this has important consequences for ETH: We find that ETH is clearly satisfied only when each topological sector is treated separately, and only for moderate ratios of the potential and kinetic terms in the Hamiltonian. By contrast, when the spectrum is treated as a whole, ETH breaks down on the square lattice and, apparently, also on the triangular lattice. These results demonstrate that quantum dimer models have interesting thermalization dynamics. The deposited data are exact diagonalization results for the expectation values of several local observables in the energy eigenstates.
DOI: 10.17639/nott.25
title: The nucleation and early stages of layer-by-layer growth of metal organic frameworks on surfaces

description: High resolution atomic force microscopy (AFM) is used to resolve the evolution of crystallites of a metal organic framework (HKUST-1) grown on Au(111) using a liquid-phase layer-by-layer methodology. The nucleation and faceting of individual crystallites is followed by repeatedly imaging the same sub-micron region after each cycle of growth and we find that the growing surface is terminated by {111} facets leading to the formation of pyramidal nanostructures for [100] oriented crystallites, and triangular [111] islands with typical lateral dimensions of 10s of nanometres. AFM images reveal that crystallites can grow by 5-10 layers in each cycle. The growth rate depends on crystallographic orientation and the morphology of the gold substrate, and we demonstrate that under these conditions the growth is nanocrystalline with a morphology determined by the minimum energy surface.
DOI: 10.17639/nott.26
title: A conceptual approach for evaluating the multiple benefits of urban flood management practices

description: This paper focuses on the spatial distribution of the dominant and relevant benefits of urban flood management based on context and location specific evaluations. We explore the conceptual rationale and describe a detailed methodology for assessing the benefit profile, benefit intensity, and comment on benefit dependencies arising from urban flood management practices which utilise green infrastructure. A case study is described which demonstrates the application of the concepts in Portland, Oregon. A GIS approach is developed to evaluate some of the multiple benefits of the East Lents Floodplain Restoration Project. Results are presented in the form of a comparative benefit profile, and a spatially distributed benefit intensity. The paper concludes with the implications of the methodology for future multiple benefit evaluation of urban drainage and flood management systems. These data were collected as part of an interdisciplinary project undertaken by the Blue-Green Cities Research Consortium with the Portland-Vancouver ULTRA (Urban Long-term Research Area) project, as part of the “Clean Water for All” initiative.
DOI: 10.17639/nott.54
title: Resonant Zener tunnelling via zero-dimensional states in a narrow gap diode

description: The data contains measured current-voltage characteristics and simulated energy band profiles describing Zener tunnelling via zero-dimensional states in a narrow gap diode. In our devices, a narrow quantum well of the mid-infrared (MIR) alloy In(AsN) is placed in the intrinsic (i) layer of a p-i-n diode. The incorporation of nitrogen in the quantum well creates states that are localized on nanometer lengthscales. These levels provide intermediate states that act as “stepping stones” for electrons tunnelling across the diode and give rise to a negative differential resistance (NDR) that is weakly dependent on temperature.
DOI: 10.17639/nott.351
title: Biocompatible unimolecular micelles obtained via the Passerini reaction as versatile nanocarriers for potential medical applications

description: Drug loading and encapsulation efficiency, In vitro drug release study, Cell culture, Viability assay, Bacterial susceptibility assay, Cellular uptake study.
DOI: 10.17639/nott.324
title: Optical detection and spatial modulation of mid-infrared surface plasmon polaritons in a highly doped semiconductor

description: This is a series of .txt files containing the results of optical measurements performed on hydrogenated In(AsN) epilayers.
DOI: 10.17639/nott.325
title: Ullmann coupling reactions on Ag(111) and Ag(110): substrate influence on the formation of covalently coupled products and intermediate metal-organic structures

description: On-surface reactions based on Ullmann coupling are known to proceed on coinage-metal substrates (e.g. Au, Ag, Cu), with the chemistry of the surface strongly influencing the reaction progression. In addition, the topography of the surface may be expected to affect the local adsorption geometry of the reactants as well as the intermediate and final structures. Here, we investigate the effect of two different surface facets of silver, Ag(111) and Ag(110) on the formation of organometallic and covalent structures for Ullmann-type coupling reactions. Deposition of 4,4”-diiodo-m-terphenyl molecules onto either Ag(111) or Ag(110) surfaces leads to the scission of C-I bonds followed by the formation of organometalic zigzag structures, consisting of molecules connected by coordination bonds to Ag adatoms. The covalently coupled product is formed by annealing each surface, leading to the removal of Ag atoms and the formation of covalently bonded zigzag poly(m-phenylene) structures. Comparisons of the adsorption model of molecules on each surface before and after annealing reveal that on Ag(111), structures rearrange by rotation and elongation of bonds in order to become commensurate with the surface, whereas for the Ag(110) surface, the similarity in adsorption geometry of the intermediate and final states means that no rotation is required.
DOI: 10.17639/nott.348
title: Data for paper, Upscaling diffusion through first-order volumetric sinks: a homogenization of bacterial nutrient uptake

description: Data for the SIAP paper "Upscaling diffusion through first-order volumetric sinks: a homogenization of bacterial nutrient uptake".
DOI: 10.17639/nott.334
title: Real-time estimation of horizontal eye-gaze angle using in-ear electrooculography by saccade integration - Dataset

description: These are data of the in-ear EOG recordings using 24bit sigma-delta BIO amplifier, eye tracker data, and precomputed data of the algorithm described in the manuscript. The task of five participants was to follow a horizontally varying visual target on a computer screen, while EOG and eye trcaking data were recorded.
DOI: 10.17639/nott.353
title: Lesson plans for research on visual representations and low achieving students' learning

description: These lesson plans were used for the data collection of a research study aimed at investigating how low achieving students learn fractions through an approach emphasizing visual representations.
DOI: 10.17639/nott.72
title: Office workers' perceived barriers and facilitators to taking regular micro-breaks at work: full result table

description: Research has suggested regular breaks in sedentary office workers are important for health, wellbeing and long-term productivity. Although there exist many computerized break reminders, few are based on user needs and requirements as determined by formative research. This is the result table from a diary-probed interview study with 20 office workers on their perceived barriers and facilitators to taking regular micro-breaks at work.
DOI: 10.17639/nott.50
title: GeoTracks (Adaptive Music for Everyday Journeys) user trial 1, summer 2015, quantitative data set

description: Quantitative data from the first user user study of the geotracks prototype adaptive music system, Nottingham, summer 2015. Includes participants, subjective responses to adaptive and non-adaptive walks.
DOI: 10.17639/nott.316
title: Supramolecular heterostructures formed by sequential epitaxial deposition of two-dimensional hydrogen-bonded arrays

description: Supramolecular heterostructures are formed by growing sequential layers of bi- and mono-component two-dimensional molecular arrays stabilized by hydrogen bonding. The heterostructures are formed on hexagonal boron nitride by depositing cyanuric acid/melamine (CA.M) followed by terephthalic acid (TPA) or trimesic acid (TMA) and imaged using atomic force microscopy under ambient conditions with resolution approaching 0.1 nm. A clear epitaxial arrangement is observed between these layers having intrinsically distinct symmetries and lattice constants, which for TMA/CA.M corresponds to a (root3 x root3)R30o phase, while TPA forms rows with a molecular separation that matches the CA.M period. Structures calculated using classical molecular dynamics are in excellent agreement with the orientation, registry and dimensions of the epitaxial layers. Calculations confirm that van der Waals interactions provide the dominant contribution to the adsorption energy and registry of the layers.
DOI: 10.17639/nott.366
title: Incorporation of an ultrasound and model guided permissible region improves quantitative source recovery in bioluminescence tomography

description: The data contained in this collection are simulation results of reconstruction performed with NIRFAST to investigate the benefits of having prior information about source location (given by ultrasound) in tomographic reconstruction of bioluminescent sources.
DOI: 10.17639/nott.346
title: NMR data for paper: One-carbon oxidative annulation of 1,3-enynes by catalytic C–H functionalization and 1,4-rhodium(III) migration

description: Raw NMR data for the paper entitled: "One-carbon oxidative annulation of 1,3-enynes by catalytic C–H functionalization and 1,4-rhodium(III) migration"
DOI: 10.17639/nott.320
title: A binaural cross-correlogram toolbox for MATLAB

description: CC-BC-NC-ND 4.0 license
description: This is my Binaural Crosscorrelogram toolbox that I wrote to support my binaural research. It is made available on a CC-BY-NC-ND license in the hope that it is useful.
DOI: 10.17639/nott.7017
title: Multifuctional 3D scaffolds for cardiomyocte development

description: Raw data corresponding to the publication "Multifunctional Bioinstructive 3D Architectures to Modulate Cellular Behavior" from Vaithilingam et al. published in Advanced Functional Materials, 2019. https://doi.org/10.1002/adfm.201902016.
DOI: 10.17639/nott.7075
title: Intradermal delivery of imiquimod using polymeric microneedles for basal cell carcinoma

description: The data collected are from permeation experiment and release study data from microneedle patch and topical cream for the delivery of an anticancer agent-imiquimod. The data is now published in International Journal of Pharmaceutics.
DOI: 10.17639/nott.48
title: Chain length affects pancreatic lipase activity and the extent and pH–time profile of triglyceride lipolysis

description: Triglycerides (TG) are one of the most common excipients used in oral lipid-based formulations. The chain length of the TG plays an important role in the oral bioavailability of the co-administered drug. Fatty acid (FA) chain-length specificity of porcine pancreatic lipase was studied by means of an in vitro lipolysis model under bio-relevant conditions at pH 6.80. In order to determine the total extent of lipolysis, back-titration experiments at pH 11.50 were performed. Results suggest that there is a specific chain length range (C2–C8) for which pancreatic lipase shows higher activity. This specificity could result from a combination of physicochemical properties of TGs, 2-monoglycerides (2-MGs) and FAs, namely the droplet size of the TGs, the solubility of 2-MGs within mixed micelles, and the relative stability of the FAs as leaving groups in the hydrolysis reaction. During experimentation, it was evident that an optimisation of lipolysis conditions was needed for tighter control over pH levels so as to better mimic in vivo conditions. 1 M NaOH, 3.5 mL/min maximum dosing rate, and 3 μL/min minimum dosing rate were the optimised set of conditions that allowed better pH control, as well as the differentiation of the lipolysis of different lipid loads.
DOI: 10.17639/nott.74
title: ASCE_JGGE_A centrifuge modelling study of the response of piled structures to tunnelling

description: Data published within the paper: Franza, A. and Marshall, A.M. 2017. A centrifuge modelling study of the responseof piled structures to tunnelling. ASCE Journal of Geotechnical and Geoenvironmental Engineering.
DOI: 10.17639/nott.355
title: Epitaxial growth of γ-InSe and α, β, and γ-In2Se3 on ε-GaSe

description: We demonstrate that γ-InSe and the α, β and γ phases of In2Se3 can be grown epitaxially on ε-GaSe substrates using a physical vapour transport method. By exploiting the temperature gradient within the tube furnace, we can grow selectively different phases of InxSey depending on the position of the substrate within the furnace. The uniform cleaved surface of ε-GaSe enables the epitaxial growth of the InxSey layers, which are aligned over large areas. The InxSey epilayers are characterised using Raman, photoluminescence, X-ray photoelectron and electron dispersive X-ray spectroscopies. Each InxSey phase and stoichiometry exhibits distinct optical and vibrational properties, providing a tuneable photoluminescence emission range from 1.3 eV to ~ 2 eV suitable for exploitation in electronics and optoelectronics.
DOI: 10.17639/nott.356
title: Raw data for new compounds described in the paper: "Enantioselective synthesis of chiral cyclopent-2-enones by nickel-catalyzed desymmetrization of malonate esters"

description: Raw data for new compounds described in the paper: "Enantioselective Synthesis of Chiral Cyclopent-2-enones by Nickel-Catalyzed Desymmetrization of Malonate Esters". The enantioselective synthesis of highly functionalized chiral cyclopent-2-enones by the reaction of alkynyl malonate esters with arylboronic acids is described. These desymmetrizing arylative cyclizations are catalyzed by a chiral phosphinooxazoline–nickel complex, and cyclization is enabled by the reversible E/Z isomerization of alkenylnickel species. The general methodology is also applicable to the synthesis of 1,6-dihydropyridin-3(2H)-ones.
DOI: 10.17639/nott.6996
title: Direct band-gap crossover in epitaxial monolayer boron nitride

description: Hexagonal boron nitride is a large band-gap insulating material which complements the electronic and optical properties of graphene and the transition metal dichalcogenides. However, the intrinsic optical properties of monolayer boron nitride remain largely unexplored. In particular, the theoretically expected crossover to a direct-gap in the limit of the single monolayer is presently not con rmed experimentally. Here, in contrast to the technique of exfoliating few-layer 2D hexagonal boron nitride, we exploit the scalable approach of high-temperature molecular beam epitaxy to grow high-quality monolayer boron nitride on graphite substrates. We combine deep-ultraviolet photoluminescence and reflectance spectroscopy with atomic force microscopy to reveal the presence of a direct gap of energy 6.1 eV in the single atomic layers, thus conforming a crossover to direct gap in the monolayer limit. The giant exciton binding energy in monolayer boron nitride requires selective optical pumping through resonant excitation of phonons. These results on large area monolayer boron nitride demonstrate its potential within the family of van der Waals crystals for photonic and light-matter applications in the deep ultraviolet.
DOI: 10.17639/nott.6180
title: T039 TEST item - Datacite v4 Schema test WITHOUT filling out "Associated Publication DOI"
title: alternative title value

description: additional info value
description: description value
DOI: 10.17639/nott.359
title: Psychological therapy interactions coding scheme (PICS) development data: turn by turn coder ratings

description: This dataset should be viewed alongside the accompanying paper: The Development of an Observational Measure to Assess Patient Activation, Illustrated in Psychological Therapy with Long-Term High Users of Healthcare Who Have Complex Needs. It shows the ratings given to each turn of speech in 10 sessions of Cognitive Behavioural Therapy (CBT) by four coders. Ratings are separated into the individual themes of the PICS and scored 0-4 according to the level of patient activation judged to be present.
DOI: 10.17639/nott.360
title: Psychological therapy interactions coding scheme (PICS) development data: coder summary ratings

description: This dataset should be viewed alongside the accompanying paper: The Development of an Observational Measure to Assess Patient Activation, Illustrated in Psychological Therapy with Long-Term High Users of Healthcare Who Have Complex Needs. It shows the summary scores for ratings given by four coders using the PICS for 10 sessions of Cognitive Behavioural Therapy (CBT).Summary scores range from 0 to 100, dependent on the level of patient activation deemed to be present in each PICS theme, with high scores denoting higher levels of patient activation.
DOI: 10.17639/nott.7051
title: Evaluating Modes of Influenza Transmission (EMIT) data files

description: Uncertainty about the importance of influenza transmission by airborne droplet nuclei generates controversy for infection control. Human challenge-transmission studies have been supported as the most promising approach to fill this knowledge gap. Healthy, seronegative volunteer ‘Donors’ (n=52) were randomly selected for intranasal challenge with influenza A/Wisconsin/67/2005 (H3N2). ‘Recipients’ randomized to Intervention (IR, n=40) or Control (CR, n=35) groups were exposed to Donors for four days. IRs wore face shields and hand sanitized frequently to limit large droplet and contact transmission. One transmitted infection was confirmed by serology in a CR, yielding a secondary attack rate of 2.9% among CR, 0% in IR (p=0.47 for group difference), and 1.3% overall, significantly less than 16% (p&lt;0.001) expected based on a proof-of-concept study secondary attack rate and considering that there were twice as many Donors and days of exposure. The main difference between these studies was mechanical building ventilation in the follow-on study, suggesting a possible role for aerosols.