220 Works

Structural features of reconstituted wheat wax films

Elias Pambou
Cuticular waxes are essential for the well-being of all plants, from controlling the transport of water and nutrients across the plant surface to protecting them against external environmental attacks. Despite their significance, our current understanding regarding the structure and function of the wax film is limited. In this work, we have formed representative reconstituted wax film models of controlled thicknesses which facilitated an ex-vivo study of plant cuticular wax film properties by neutron reflection (NR)....

NMR, EPR and UV/Vis spectroscopic data, SQUID magnetometry and cyclic voltammetry data for Inorganics-101167

David P. Mills, Fabrizio Ortu, Hao Zhu & Marie-Emmanuelle Boulon
Supporting research data for Inorganics-101167 deposited to align with EPSRC guidelines.

4MWK_HEWL_cisplatin_Triclinic_150K

Simon Tanley
The platinum anti-cancer agents cisplatin and carboplatin bind to the histidine 15 residue in the model protein hen egg white lysozyme. By using temperatures either side of the protein glass transition state (∼180 K), several platinum binding modes are seen and show that not all these platinum modes are stable. In particular, the mean square displacement vibration amplitudes of the cisplatin and of the histidine to which it is bound are analysed in detail. As well...

Diatom Frustules as a Biomineralized Scaffold for the Growth of Molybdenum Disulfide Nanosheets

Edward Lewis, Sarah Haigh, David Binks, David Lewis, Kime Georgia, Aleksander Tedstone, Simon Hammersley, Philip Dawson & Paul O'Brien

Water Adsorption on AnO2 {111}, {110} and {100} Surfaces (An = U, Pu); A DFT+U Study

Bengt Tegner
The files in this repository provide the raw and processed data necessary to reproduce the water adsorption calculations and analysis presented in the paper. Any data not available in this repository may be requested from the authors.

The Emergence of Strategic Capabilities in a South-North Cross-Border M&A and their Post-Acquisition Process

Rui Pedro Torres De Oliveira
The internationalization of Chinese companies is a new reality. This is even more innovative if we isolate Chinese private firms and in particular those having businesses in developed countries as targets. If the first internationalizations of Chinese private firms to developed countries showed us less than optimal results; the latest show mixed outcomes. Interestingly, some of the latest firms with positive results are breaking through stable and complex global value chains, such as the automotive...

HEWL_Cisplatin_DMSO_paratone_pH4.7_unwarped

Simon Tanley
The International Union of Crystallography has for many years been advocating archiving of raw data to accompany structural papers. Recently, it initiated the formation of the Diffraction Data Deposition Working Group with the aim of developing standards for the representation of these data. A means of studying this issue is to submit exemplar publications with associated raw data and metadata. A recent study on the effects of dimethyl sulfoxide on the binding of cisplatin and...

MsaPAD: Multiple Sequence Alignment - Input Submission and email notification

Bachir Balech, Giacinto Donvito, Pasquale Notarangelo, Saverio Vicario & Graziano Pesole
BioVeL – Biodiversity Virtual e-Laboratory Workflow Documentation Name:Perform a Multiple DNA sequence alignment coding for multiple/single protein domains Capacities Programme of Framework 7: EC e-Infrastructure Programme – e-Science Environments - INFRA-2011-1.2.1 Grant Agreement No: 283359 Project Co-ordinator: Mr Alex Hardisty Project Homepage: [http://www.biovel.eu][1] [1]: http://www.biovel.eu ## 1 Description This workflow is used to submit the multiple alignment job. Once the computation is finished the user will receive an email notification indicating the obtained output address....

LES of density ratio effects on film cooling under rotating frame

Nabeel Al-Zurfi & Ali Turan
A numerical study was conducted to investigate the performance of film cooling injection from a row of multiple square holes spaced laterally across a flat plate. LES with the standard Smagorinsky–Lilly model was used to investigate the dynamic mixing process between the coolant jet stream and the mainstream flows. The finite volume method and the unsteady PISO algorithm on a non-uniform staggered grid were applied. The values of rotation number (Ro) examined were 0.0, 0.03021,...

Ultraclean pure shift NMR

Gareth Morris, Pinelopi Moutzouri, Mathias Nilsson, Peter Kiraly & Mohammadali Foroozandeh
Full experimental data and software for the SAPPHIRE method for ultraclean pure shift NMR.

Bayesian Phylogenetic Infererence: Evaluate MrBayes Run

Saverio Vicario, Giacinto Donvito & Bachir Balech
BioVeL – Biodiversity Virtual e-Laboratory Workflow Documentation Name:Perform Short Bayesian Phylogenetic Inference Capacities Programme of Framework 7: EC e-Infrastructure Programme – e-Science Environments - INFRA-2011-1.2.1 Grant Agreement No: 283359 Project Co-ordinator: Mr Alex Hardisty Project Homepage: [http://www.biovel.eu][1] [1]: http://www.biovel.eu ## 1 Description The Pack contain 3 workflows that perform and validate bayesian phylogenetic inference that differ from the kind of input. The pack is called short because the worlflow require that the user need to...

Experimental data used in the manuscript entitled "Construction of simplified design p-y curves for liquefied soil" by Lombardi et al (2017)

Domenico Lombardi
This data was used to generate the plots given in the paper http://dx.doi.org/10.1680/jgeot.15.P.116 by Lombardi et al (2017). The data was collected from literature and additional tests carried out by the authors.

Partitioning environmental sequencing data using categorical and phylogenetic information using PhyloH with parsing Qiime

Saverio Vicario
Partitioning environmental sequencing data using categorical and phylogenetic information using PhyloH . The WF need a tree in newick format, a samplefile that show the where the leaf of the tree are found in the different sample and how many time, and a grouping file where the different sample are grouped using a categorical variable. The WF gives back a tabular and graphical representation of an entropy based partitioning of the information present in the...

Biome-BGC SA 1.3

Ferenc Horváth, Dóra Krasser, Péter Ittzés & Zoltán Barcza
Biome-BGC is a process-based biogeochemical model that can be used to simulate carbon, nitrogen and water fluxes of different terrestrial ecosystems. Two models have been implemented: the Biome-BGC v4.1.1 Max Planck Institute model, and the newly developed Biome-BGC MuSo 3.0 model. Performance, success or failure of these models are highly dependent on parameter settings and variation. Due to the high number of parameters (around 40 and 60 for 4.1.1 MPI and MuSo respectively) and the...

I dialetti d'Italia: fiabe, favole e racconti

Delia Bentley, Francesco Maria Cinconte & Silvio Cruschina

PSYCHE 2DJ NMR experimental data, parameters and pulse sequence

Mohammadali Foroozandeh, Ralph Adams, Mathias Nilsson & Gareth Morris
The detailed analysis of proton NMR spectra is typically limited by overlap between the multiplets for different chemical sites. The PSYCHE method for pure shift NMR, in which multiplets are collapsed to singlets, can circumvent this limitation by generating homonuclear 2D J spectra with full decoupling in one dimension and absorption mode multiplet structure in the other. Used in combination with two further swept-frequency pulses, to form a triple spin echo, this new experiment shows...

Optical spectroscopy of microstructure in cubic GaN grown by MOCVD on 3C-SiC/Si substrates

Stephen Church, Simon Hammersley, Peter Mitchell, Matthew Davies, Menno Kappers, Suman-Lata Sahonta, Martin Frentrup, P Ward, L Shaw, David Wallis, Colin Humphreys, Rachel Oliver, David Binks & Phillip Dawson

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