Simulation study of surface transfer doping of hydrogenated diamond by MoO₃ and V₂O₅ metal oxides

In this work, we investigate the surface transfer doping process that is induced between hydrogen-terminated (100) diamond and the metal oxides, MoO₃ and V₂O₅, through simulation using a semi-empirical Density Functional Theory (DFT) method. DFT was used to calculate the band structure and charge transfer process between these oxide materials and hydrogen terminated diamond. Analysis of the band structures, density of states, Mulliken charges, adsorption energies and position of the Valence Band Minima (VBM) and Conduction Band Minima (CBM) energy levels shows that both oxides act as electron acceptors and inject holes into the diamond structure. Hence, those metal oxides can be described as p-type doping materials for the diamond. Additionally, our work suggests that by depositing appropriate metal oxides in an oxygen rich atmosphere or using metal oxides with high stochiometric ration between oxygen and metal atoms could lead to an increase of the charge transfer between the diamond and oxide, leading to enhanced surface transfer doping

Electronic and Optical Properties of Hydrogen-Terminated Diamond Doped by Molybdenum Oxide: A Density Functional Theory Study

In this work we investigate the surface transfer doping process induced between a hydrogen-terminated (100) diamond and a metal oxide MoO 3 , using the Density Functional Theory (DFT) method. Using DFT, we have calculated the electronic and optical properties of the hydrogen-terminated diamond and established a link between the underlying electronic structure and the charge transfer between the oxide materials and the hydrogen-terminated diamond. Our results show that the metal oxide can be described as an electron acceptor and extracts the electrons from the diamond creating 2D hole gas in the diamond surface. Hence, this metal oxide acts as a p-type doping material for the diamond

First Principle Simulations of Electronic and Optical Properties of a Hydrogen Terminated Diamond Doped by a Molybdenum Oxide Molecule

In this work we investigate the surface transfer doping process induced between a hydrogen-terminated (100) diamond and a metal oxide MoO 3 , using the Density Functional Theory (DFT) method. DFT allows us to calculate the electronic and optical properties of the hydrogen-terminated diamond (H-diamond) and establish a link between the underlying electronic structure and the charge transfer between the oxide materials and the H-diamond. Our results show that the metal oxide molecule can be described as an electron acceptor and extracts the electrons from the diamond creating 2D hole gas in the diamond surface. Hence, this metal oxide molecule acts as a p-type doping material for the diamond

Assessing policy constraints and technical feasibility of energy developments in cities

GOMap (Geospatial Opportunity Map) was developed to support informed decisions concerning the siting of renewable energy systems in cities. It examined installing freestanding solar photovoltaic (PV) farms in Glasgow’s Vacant and Derelict Land (VDL) and was implemented as an interactive Geographic Information System. In evaluating whether a site was suitable for renewable energy deployment, two sets of constraints were considered: technical factors which were imposed by the location on the achievable power level; policy factors which affected the likelihood of receiving planning permission. Two scoring methods were applied which generated different perceptions concerning the size of opportunity available, based on a 50x50 m grid across Glasgow. The stringent method applied the highest score for any individual layer as the combined score and resulted in 15.7 % of the VDL area as technically favourable and 7.8 % as politically possible; the recommended lenient method summed the individual factor scores and displayed 42.9 % as technically favourable and 46.8 % as politically possible. Focusing on the lenient method, it was found that 285 ha of suitable VDL could allow for 142,708 solar PV panels to be built, equating to an energy yield of 344.55 MWh/yr which could provide energy for ~70,000 dwellings

Simulations of Surface Transfer Doping of Hydrogenated Diamond by MoO3 Metal Oxide

In this work we investigate the surface transfer doping effect induced between hydrogen terminated diamond and Moo3. We simulated the interface of (100) MoO 3 surface and hydrogen terminated (100) diamond surface using fist principle methods such as Density Functional Theory (DFT). DFT simulation allowed us to calculate the band structure and charge transfer between the MoO 3 and the diamond materials. Analysis of the band structures and density of states shows that the Moo3is an electron acceptor and injects holes into the diamond structure

Kinetics of Binding of Caldesmon to Actin

The time course of interaction of caldesmon with actin may be monitored by fluorescence changes that occur upon the binding of 12-(N-methyl-N-(7-nitrobenz-2-oxa-l,3-diazol-4-yl))-labeled caldesmon to actin or to acrylodan actin. The concentration dependence of the observed rate of caldesmon-actin binding was analyzed to a first approximation as a single-step reaction using a Monte Carlo simulation. The derived association and dissociation rates were 107 M-1 s-1 and 18.2 s-1, respectively. Smooth muscle tropomyosin enhances the binding of caldesmon to actin, and this was found to be due to a reduction in the rate of dissociation to 6.3 s -1. There is no evidence from this study for a different mechanism of binding in the presence of tropomyosin. The fluorescence changes that occurred with the binding of 12-(N-methyl-N-(7-nitrobenz-2-oxa-l,3-diazol-4-yl))-labeled caldesmon to actin or actin-tropomyosin were reversed by the addition of myosin subfragment 1 as predicted by a competitive binding mechanism. Originally published in the Journal of Biological Chemistry, Vol. 270, No. 17, 1995

Effects of antiplatelet therapy on stroke risk by brain imaging features of intracerebral haemorrhage and cerebral small vessel diseases: subgroup analyses of the RESTART randomised, open-label trial

Background Findings from the RESTART trial suggest that starting antiplatelet therapy might reduce the risk of recurrent symptomatic intracerebral haemorrhage compared with avoiding antiplatelet therapy. Brain imaging features of intracerebral haemorrhage and cerebral small vessel diseases (such as cerebral microbleeds) are associated with greater risks of recurrent intracerebral haemorrhage. We did subgroup analyses of the RESTART trial to explore whether these brain imaging features modify the effects of antiplatelet therapy

eIF4A1-dependent mRNAs employ purine-rich 5’UTR sequences to activate localised eIF4A1-unwinding through eIF4A1-multimerisation to facilitate translation

Altered eIF4A1 activity promotes translation of highly structured, eIF4A1-dependent oncogene mRNAs at root of oncogenic translational programmes. It remains unclear how these mRNAs recruit and activate eIF4A1 unwinding specifically to facilitate their preferential translation. Here, we show that single-stranded RNA sequence motifs specifically activate eIF4A1 unwinding allowing local RNA structural rearrangement and translation of eIF4A1-dependent mRNAs in cells. Our data demonstrate that eIF4A1-dependent mRNAs contain AG-rich motifs within their 5’UTR which specifically activate eIF4A1 unwinding of local RNA structure to facilitate translation. This mode of eIF4A1 regulation is used by mRNAs encoding components of mTORC-signalling and cell cycle progression, and renders these mRNAs particularly sensitive to eIF4A1-inhibition. Mechanistically, we show that binding of eIF4A1 to AG-rich sequences leads to multimerization of eIF4A1 with eIF4A1 subunits performing distinct enzymatic activities. Our structural data suggest that RNA-binding of multimeric eIF4A1 induces conformational changes in the RNA resulting in an optimal positioning of eIF4A1 proximal to the RNA duplex enabling efficient unwinding. Our data proposes a model in which AG-motifs in the 5’UTR of eIF4A1-dependent mRNAs specifically activate eIF4A1, enabling assembly of the helicase-competent multimeric eIF4A1 complex, and positioning these complexes proximal to stable localised RNA structure allowing ribosomal subunit scanning