405 Works

Thermogravimetric Analysis (TGA) of freeze-dried MXene - TA Q500 I

James Bird
Perform TGA of powder Ti3C2 MXene to comprehend its thermal stability of terminating groups and core structure

XRD analysis of dropcast MXene suspensions - Rigaku

James Bird
Run typical, coupled θ:2θ scan of dropcast Ti3C2 MXene synthesis product to confirm successful synthesis

XRD analysis of freeze-dried MXene powder - PANalytical X'Pert Pro

James Bird
Run typical, coupled θ:2θ scan of freeze-dried and powdered Ti3C2 MXene synthesis product to confirm successful synthesis and lack of decomposition during long-term storage

Research data for Vibronic Effects on the Quantum Tunnelling of Magnetisation in Single-Molecule Magnets

Nicholas Chilton
This dataset is for the paper "Vibronic Effects on the Quantum Tunnelling of Magnetisation in Single-Molecule Magnets". It contains the computational inputs/outputs for the [Dy(Cpttt)2]+ cation embedded in two different balls of dichloromethane. The outputs give the optimised structure and vibrational modes (calculated with DFT), the electronic structure (calculated with CASSCF-SO), and the spin-phonon coupling. These data, along with the theoretical vibronic model described in the paper, allow us to show the vibronic contribution to...

Appendix 8.4 Data Files from PhD, Characterising the wild mouse bone marrow: composition and cellular heterogeneity

Andrew Muir
Appendix 8.4 Data Files from PhD, Characterising the wild mouse bone marrow: composition and cellular heterogeneity

Dynamic Light Scattering (DLS) for nanoparticle size-distribution acquisiton II

James Bird
Identification of optimal concentration in DLS to obtain particle size distributions (PSDs) of Ti3C2 MXene nanoparticles in aqueous suspension

Palaeoecological proxies from peat core HM15, Holcroft Moss, NW England

William Fletcher, Peter Ryan & Sandra Garcés-Pastor
Palaeoecological proxies from peat core HM15, Holcroft Moss, NW England, including radiocarbon data, age-depth model, physical, chemical and biological proxies (pollen and non-pollen palynomorphs).

GEMSTONE-ROESY NMR data

Laura Castanar acedo, Ralph Adams, Gareth Morris & Mathias Nilsson
This folder contains all NMR raw data for the publication entitled " Ultra-selective, ultra-clean 1D rotating-frame Overhauser effect spectroscopy", as well as relevant pulse programs for Bruker spectrometers and shapes files.

Research data for \"Determination of molecular hydration in solution via changes in magnetic anisotropy\"

Nicholas Chilton
Included here are the raw electron paramagnetic resonance data sets, the density-functional theory-computed geometries and the complete active space self-consistent field-computed electronic structures for the complexes [Er(1,4,7,10-tetraazacyclododecane-1-5-((tert-butyl)pyridin-2-yl)methyl-4,7,10-triacetate)] and [Er(1,4,7,10-tetraazacyclododecane-1-5-((tert-butyl)pyridin-2-yl)methyl-4,7,10-tri(methylphosphinate))]. These data allow us to identify the solution hydration behaviour of the two complexes to show that the first complex incorporates a water molecule in the first coordination sphere, while the second does not.

Training, validation and test set for M1-M20

Igor Larrosa
Training, validation and test set used on the work: Organic Reaction Mechanism Classification with Machine Learning It contains 5,000,000 samples of kinetic profiles for reaction mechanisms transforming a substrate S into a product P, catalyzed by a catalyst, cat. These were generated by solving the corresponding ordinary differential equations corresponding to 20 typical mechanisms. These mechanisms belong to four distinct categories: 1) the core mechanism (M1), is the simplest Michaelis-Menten-type mechanism; 2) mechanisms with bicatalytic...

Research data for Super-Reduced Bi23− Radical paper

Nicholas Chilton
This is the computational research data for the paper. It contains density-functional theory calculations for the Gd compounds which predict the magnetic coupling within those molecules. The dataset also contains complete active space self-consistent field type calculations for the Y, Tb and Dy molecules, which allow us to explain the experimental UV-visible spectra, and magnetic data.

Appendix D. Mineral compositions in silica-rich igneous rims and chondrules from CR chondrites

Rhian Jones
Mineral compositions in chondrules and associated silica-rich igneous rims (SIRs) from CR chondrites. Electron microprobe data obtained by wavelength-dispersive spectroscopy (WDS) X-ray mapping.

Dynamic Light Scattering (DLS) for nanoparticle size-distribution acquisiton II

James Bird
Identification of optimal concentration in DLS to obtain particle size distributions (PSDs) of Ti3C2 MXene nanoparticles in aqueous suspension

TPI UK ITL1 Scorecards

Olga Menukhin, Fokke Reitze Gouma & Raquel Ortega-Argiles
This dataset includes scorecards for all 12 ITL1 regions in the United Kingdom. These scorecards indicate for each ITL1 regions how wel the region is peforming as compared to the median of all ITL1 regions in the UK, for a broad set of indicators. These indicators are considered to be drivers of productivity and are classified according to five broad categories: Business performance & characteristics; Skills & training; Policy & institutions; Health & wellbeing; Investment,...

Table 3. Up- and down-regulated proteins 3-months post-hospital discharge in nasal samples of patients who experienced severe acute COVID-19 compared to mild or moderate.

Sarah Harbach
All proteins differentially expressed (adj. p value ≤ 0.01) in nasal samples from patients 3-months post-hospital discharge for COVID-19 between patients who experienced severe peak acute disease compared to mild or moderate.

Questionnaire Responses October 2022

Ron Bar-Ad
Participant ratings of each of three environments for six observed qualities. Environments are no-trees, some-trees, and more-trees, each a variation of the same area with varying levels of greenery. 34 participants were shown the environments in virtual reality and asked to rate each of the three on a scale of 1 to 7 for safety, beauty, density, greenness, building height, and road width. Another questionnaire asked the participants for their experience of urban, suburban and...

Research data for \"Determinative Effect of Axial Linearity on Single-Molecule Magnet Performance in Dinuclear Dysprosium Complexes\"

Nicholas Chilton
This is the computational data for our paper describing the electronic structure and magnetic properties of two Dy(III) dimers. In one compound the magnetic anisotropy-directing phenoxy atoms are approximately linear, while in the other compound they are approximately orthogonal. This leads to vastly different magnetic properties, as exposed by the calculations included in this dataset. These have been performed on the crystal structures from XRD, using CASSCF-SO methods.

Research data for \"Determinative Effect of Axial Linearity on Single-Molecule Magnet Performance in Dinuclear Dysprosium Complexes\"

Nicholas Chilton
This is the computational data for our paper describing the electronic structure and magnetic properties of two Dy(III) dimers. In one compound the magnetic anisotropy-directing phenoxy atoms are approximately linear, while in the other compound they are approximately orthogonal. This leads to vastly different magnetic properties, as exposed by the calculations included in this dataset. These have been performed on the crystal structures from XRD, using CASSCF-SO methods.

Data from: Genotype-dependent responses to levels of sibling competition over maternal resources in mice

Reinmar Hager, James M. Cheverud & Jason B. Wolf
Research on phenotypic plasticity has often focused on how a given genotype responds to changing physical environments. However, for many species the social environment plays an equally important role due to competition for resources. During early development, the level of competition for limited resources will often depend critically on the number of siblings. Therefore, competition among siblings should drive the evolution of genes that allow flexible responses to realized levels of competition and maternal resource...

Data from: Genetic variation for antibiotic persistence in Escherichia coli

Balint Stewart & Daniel E Rozen
Bacterial persistence describes a heterogenous response to antibiotics in clonal populations of bacteria due to phenotypic variation within the population, with a small proportion of cells surviving treatment even at very high concentrations of drug. The aim of this study was to determine whether different natural isolates of E. coli, selected at random from a collection representing the spectrum of genetic diversity in the species, generate different fractions of persister cells. Despite comparable minimum inhibitory...

Data from: Citizen science reveals unexpected continental-scale evolutionary change in a model organism

Jonathan Silvertown, Laurence Cook, Robert Cameron, Mike Dodd, Kevin McConway, Jenny Worthington, Peter Skelton, Christian Anton, Oliver Bossdorf, Bruno Baur, Menno Schilthuizen, Benoît Fontaine, Helmut Sattmann, Giorgio Bertorelle, Maria Correia, Cristina Oliveira, Beata Pokryszko, Małgorzata Ożgo, Arturs Stalažs, Eoin Gill, Üllar Rammul, Péter Sólymos, Zoltan Féher & Xavier Juan
Organisms provide some of the most sensitive indicators of climate change and evolutionary responses are becoming apparent in species with short generation times. Large datasets on genetic polymorphism that can provide an historical benchmark against which to test for recent evolutionary responses are very rare, but an exception is found in the brown-lipped banded snail (Cepaea nemoralis). This species is sensitive to its thermal environment and exhibits several polymorphisms of shell colour and banding pattern...

Data from: Self-cannulation for haemodialysis: patient attributes, clinical correlates and self-cannulation predilection models

Anuradha Jayanti, Philip Foden, Alison Wearden, Julie Morris, Paul Brenchley & Sandip Mitra
Background and objectives: With emerging evidence in support of home haemodialysis (HHD), patient factors which determine uptake of the modality need to be better understood. Self-cannulation (SC) is a major step towards enabling self-care ‘in-centre’ and home HD and remains the foremost barrier to its uptake. Human factors governing this aspect of HD practice are poorly understood. The aim of this study is to better understand self-cannulation preferences and factors which define them in end...

Data from: The peripheral olfactory code in Drosophila larvae contains temporal information and is robust over multiple timescales

Micheline Grillet, Dario Campagner, Rasmus Petersen, Catherine McCrohan & Matthew Cobb
We studied the electrophysiological activity of two classes of Drosophila melanogaster larval olfactory sensory neurons (OSNs), Or24a and Or74a, in response to 1 s stimulation with butanol, octanol, 2-heptanone, and propyl acetate. Each odour/OSN combination produced unique responses in terms of spike count and temporal profile. We used a classifier algorithm to explore the information content of OSN activity, and showed that as well as spike count, the activity of these OSNs included temporal information...

Data from: Copy-when-uncertain: bumblebees rely on social information when rewards are highly variable

Marco Smolla, Sylvain Alem, Lars Chittka & Susanne Shultz
To understand the relative benefits of social and personal information use in foraging decisions, we developed an agent-based model of social learning that predicts social information should be more adaptive where resources are highly variable and personal information where resources vary little. We tested our predictions with bumblebees and found that foragers relied more on social information when resources were variable than when they were not. We then investigated whether socially salient cues are used...

Data from: Grassland invasibility varies with drought effects on soil functioning

Maarten Schrama & Richard D. Bardgett
Although it is known that ecosystems are more susceptible to invasion when disturbed, our knowledge of the mechanisms involved remains limited. Recent studies indicate that disturbance-induced changes in soil nutrient availability could influence community invasibility, but the importance of this mechanism in the real world is not known. We tested the hypotheses that (i) exotic plant species profit from drought effects on soil functioning more than do natives; and (ii) grassland invasibility depends on soil...

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