1,693 research outputs found
Voltammogram “Landscapes” Aid Detection and Identification of In Vivo Electrochemical Signals
Bulk phase behaviour of binary hard platelet mixtures from density functional theory
We investigate isotropic-isotropic, isotropic-nematic and nematic-nematic
phase coexistence in binary mixtures of circular platelets with vanishing
thickness, continuous rotational degrees of freedom and radial size ratios
up to 5. A fundamental measure density functional theory, previously
used for the one-component model, is proposed and results are compared against
those from Onsager theory as a benchmark. For the system
displays isotropic-nematic phase coexistence with a widening of the biphasic
region for increasing values of . For size ratios , we
find demixing into two nematic states becomes stable and an
isotropic-nematic-nematic triple point can occur. Fundamental measure theory
gives a smaller isotropic-nematic biphasic region than Onsager theory and
locates the transition at lower densities. Furthermore, nematic-nematic
demixing occurs over a larger range of compositions at a given value of
than found in Onsager theory. Both theories predict the same
topologies of the phase diagrams. The partial nematic order parameters vary
strongly with composition and indicate that the larger particles are more
strongly ordered than the smaller particles
Biological Consequences of Tightly Bent DNA: The Other Life of a Macromolecular Celebrity
The mechanical properties of DNA play a critical role in many biological
functions. For example, DNA packing in viruses involves confining the viral
genome in a volume (the viral capsid) with dimensions that are comparable to
the DNA persistence length. Similarly, eukaryotic DNA is packed in DNA-protein
complexes (nucleosomes) in which DNA is tightly bent around protein spools. DNA
is also tightly bent by many proteins that regulate transcription, resulting in
a variation in gene expression that is amenable to quantitative analysis. In
these cases, DNA loops are formed with lengths that are comparable to or
smaller than the DNA persistence length. The aim of this review is to describe
the physical forces associated with tightly bent DNA in all of these settings
and to explore the biological consequences of such bending, as increasingly
accessible by single-molecule techniques.Comment: 24 pages, 9 figure
Terahertz optically pumped silicon lasers
Stimulated terahertz (THz) emission from silicon single crystals doped by group-V donors has been obtained by optical excitation with pulsed infrared lasers. Pumping by a conventional TEA CO2 laser results in lasing on discrete lines between 1.3 and 7 THz (see figure). Laser thresholds can be as low as 10 kW/cm2. They depend on the donors species and the laser mechanism. Intracentre population inversion is realized between particular excited states which are large-spaced due to the chemical shift of the donor binding energy. The lifetime of an electron in an excited state (up to ~70 ps) is determined by the efficiency of phonon-assisted nonradiative relaxation. Optical excitation by the emission of a frequency-tunable free electron laser results in two different types of lasing. At relatively low pump intensities (~1 kW/cm2) the intracentre mechanism of lasing is dominating. At pump intensities above ~100 kW/cm2 stimulated scattering of pump photons on transverse acoustic intervalley phonons can occur in the vicinity of an impurity atom. This results in laser emission in the frequency range from 4.6 to 5.8 THz. In this case the laser frequency can be tuned proportionally to the pump frequency
Self-organised criticality in base-pair breathing in DNA with a defect
We analyse base-pair breathing in a DNA sequence of 12 base-pairs with a
defective base at its centre. We use both all-atom molecular dynamics (MD)
simulations and a system of stochastic differential equations (SDE). In both
cases, Fourier analysis of the trajectories reveals self-organised critical
behaviour in the breathing of base-pairs. The Fourier Transforms (FT) of the
interbase distances show power-law behaviour with gradients close to -1. The
scale-invariant behaviour we have found provides evidence for the view that
base-pair breathing corresponds to the nucleation stage of large-scale DNA
opening (or 'melting') and that this process is a (second-order) phase
transition. Although the random forces in our SDE system were introduced as
white noise, FTs of the displacements exhibit pink noise, as do the
displacements in the AMBER/MD simulations.Comment: 18 pages, 8 figure
Modeling metallic island coalescence stress via adhesive contact between surfaces
Tensile stress generation associated with island coalescence is almost
universally observed in thin films that grow via the Volmer-Weber mode. The
commonly accepted mechanism for the origin of this tensile stress is a process
driven by the reduction in surface energy at the expense of the strain energy
associated with the deformation of coalescing islands during grain boundary
formation. In the present work, we have performed molecular statics
calculations using an embedded atom interatomic potential to obtain a
functional form of the interfacial energy vs distance between two closely
spaced free surfaces. The sum of interfacial energy plus strain energy provides
a measure of the total system energy as a function of island separation.
Depending on the initial separation between islands, we find that in cases
where coalescence is thermodynamically favored, gap closure can occur either
spontaneously or be kinetically limited due to an energetic barrier. Atomistic
simulations of island coalescence using conjugate gradient energy minimization
calculations agree well with the predicted stress as a function of island size
from our model of spontaneous coalescence. Molecular dynamics simulations of
island coalescence demonstrate that only modest barriers to coalescence can be
overcome at room temperature. A comparison with thermally activated coalescence
results at room temperature reveals that existing coalescence models
significantly overestimate the magnitude of the stress resulting from island
coalescence.Comment: 20 pages, 8 figures, 2 tables, submitted to PR
An evaluation of a multi-component adult weight management on referral intervention in a community setting
BACKGROUND: National Institute for Health and Care Excellence (NICE) guidance on adult weight management recommends interventions are multi-component. We aimed to assess the implementation and health benefits of a primary care referral to an adult multi-component weight management intervention in a community setting. The intervention was offered through Primary care in National Health Service (NHS) South Gloucestershire, UK, from Oct 2008 to Nov 2010, in partnership with statutory, community and commercial providers. The scheme offered 12 weeks’ community based concurrent support of dietary (Weight Watchers, WW), physical activity (Exercise on Prescription, EOP) and behavioural change (motivational interviewing) components to obese adults. Funding was available for 600 places. RESULTS: Five hundred and fifty nine participants engaged with the intervention, mean age 48 years, 88 % female. Mean weight loss for all engagers was 3.7 kg (95 % confidence interval 3.4, 4.1). Participants completing the intervention achieved the largest weight reduction (mean loss 5.9 kg; 5.3, 6.6). Achievement of 5 % weight loss was higher in completers (58 %; 50, 65) compared to non-completers (19 %; 12, 26) and people who only participated in one commercial component of the intervention (either WW or EOP; 19 %; 13, 24). CONCLUSION: A multi-component weight management programme may be beneficial for weight loss, but a randomized controlled trial is needed to establish effectiveness and to evaluate cost
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