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Over the past 50 years there has been considerable progress in our understanding of biomolecular interactions at an atomic level. This in turn has allowed molecular simulation methods employing full atomistic modelling at ever larger scales to develop. However, some challenging areas still remain where there is either a lack of atomic resolution structures or where the simulation system is inheren
The characterization of structure over a wide range of length scales from atomic to microns is a common requirement for understanding the behaviour of many soft matter systems. In the case of self-assembling and colloidal materials, the final properties will depend sensitively on intermolecular as well as interparticle interactions. Experimental methods such as wide and small angle scattering, whi
This work aimed to understand the relationship between the physical properties of scattering particle layers in dye-sensitized solar cells (DSSCs) and their performance, to assist optimization of this component of the DSSC. Highly ordered anatase 2D-hexagonal mesoporous titania (meso-TiO2) nanoparticles with a high surface area and large pore size were fabricated. Meso-TiO2 was used as scattering
We currently use Convection-Enhanced Delivery (CED) of the platinum-based drug, carboplatin as a novel treatment strategy for high grade glioblastoma in adults and children. Although initial results show promise, carboplatin is not specifically toxic to tumour cells and has been associated with neurotoxicity at high infused concentrations in pre-clinical studies. Our treatment strategy requires in
Film formation and film structure in films formed on solutions of cationic surfactants with polyethylenimine is influenced by the surfactant structure, including both the tail length and the nature of the headgroup, which alter the micelle properties. Experiments: A series of cationic surfactants were synthesized and conductivity measurements were used to compare the critical micelle concentration
Beyond biomimicry! We are at a threshold where technology and life converge, where living machines modify and adapt the environments that they construct and persist within. Who is working at this frontier? How are scientists, engineers, programmers, designers and biologists converging to capture organismal construction algorithms from nature and play them back to emerging swarm robotic and digital
Improvements in the efficiency of combustion within a vehicle can lead to reductions in the emission of harmful pollutants and increased fuel efficiency. Gas sensors have a role to play in this process, since they can provide real time feedback to vehicular fuel and emissions management systems as well as reducing the discrepancy between emissions observed in factory tests and 'real world' scenari
In the past few years there has been a growth in the use of nanoparticles for stabilizing lipid membranes that contain embedded proteins. These bionanoparticles provide a solution to the challenging problem of membrane protein isolation by maintaining a lipid bilayer essential to protein integrity and activity. We have previously described the use of an amphipathic polymer (poly(styrene-co-maleic
Poly(lactide-co-glycolide)-block-poly(ethylene glycol) (PLGA-PEG) nanoparticles are commonly used as drug carriers in controlled drug release and targeting. To achieve predictable and clinically relevant volumes of drug distribution, nanoparticle size, surface charge, and especially composition and structure must be controlled. Understanding the internal structures within the particles is fundamen
Free-standing titania films were grown at the air-water interface, a novel method to synthesize robust TiO2 nanowire/nanoparticle composite films. The calcined films contain an anatase crystal phase and have a high surface area with a structure composed of one-dimensional long nanowires and mesoporous nanoparticle branches. These suggest a promising way to manufacture large areas of thick porous t
N-Oxyl mediated oxidations are becoming widely applied to the selective oxidation of a range of substrates bearing primary alcohol groups, including renewable biopolymers such as cellulose, but screening of mediators and oxidation conditions can be a laborious process, potentially limiting discovery of new mediators and/or optimised conditions for reaction. We describe a simple method for rapid vo
PLGA/PLA polymeric nanoparticles could potentially enhance the effectiveness of convective delivery of drugs, such as carboplatin, to the brain, by enabling a more sustained dosage over a longer time than otherwise possible. However, the link between the controlled release nanoparticle synthesis route, and the subsequent drug release profile obtained, is not well-understood, which hinders design o
To evaluate the role of polymer-surfactant interactions in drug solubilisation/stabilisation during the dissolution of spray-dried solid dispersions and their potential impact on in vivo drug solubilisation and absorption. Dissolution/precipitation tests were performed on spray-dried HPMC-Etravirine solid dispersions to demonstrate the impact of different surfactants on the in vitro performance of
This article highlights how an aesthetics of religion approach generates significant new insights into well-researched textual material. It does so by looking at Chinese Buddhist biographies focusing on how the world of smell is communicated. Academically established ways of approaching biographies elucidate their historical background and analyze narrative patterns. By looking at the Biographies
Study of phonon and electron subsystems of C60I4-x and C60Br24 crystals has shown a different character of chemical bonding in these materials: C60I4-x is a compound with weak van der Waals interaction between C-60 and I-2 molecules whereas C60Br24 is a covalent crystal with a charge transfer between nearest C and Br atoms.
The large MIMIC waveform dataset, sourced from intensive care units, has been used extensively for the development of Photoplethysmography (PPG) based blood pressure (BP) estimation algorithms. Yet, because the data comes from patients in severe conditions-often under the effect of drugs-it is regularly noted that the relationship between BP and PPG signal characteristics may be anomalous, a claim
The electronic structure of C60n- molecules and ions and C60Kn (n=0-4,6) crystals is investigated in the zero diatomic overlap approximation. The calculated characteristics of the carbon-carbon chemical bond in fullerenes and fullerites are compared with the bond characteristics in simpler covalent carbon-containing compounds, viz.: selected hydrocarbons, graphite, and diamond. It is shown that t
Using cyclic boundary conditions and LCAO basis allows one to reproduce both band and local properties of the electronic structure of a crystal. Electronic structure of a row of composite copper and lead crystalline oxides are studied within the CNDO approximation, and the local properties (atomic charges, bond orders, valencies) are analyzed. A comparison of the local properties of some high-Tc s
