27,448 research outputs found
Errors in Veterinary Practice: Preliminary Lessons for Building Better Veterinary Teams
Case studies in two typical UK veterinary practices were undertaken to explore teamwork, including interprofessional working. Each study involved one week of whole team observation based on practice locations (reception, operating theatre), one week of shadowing six focus individuals (veterinary surgeons, veterinary nurses and administrators) and a final week consisting of semistructured interviews regarding teamwork. Errors emerged as a finding of the study. The definition of errors was inclusive, pertaining to inputs or omitted actions with potential adverse outcomes for patients, clients or the practice. The 40 identified instances could be grouped into clinical errors (dosing/drugs, surgical preparation, lack of follow-up), lost item errors, and most frequently, communication errors (records, procedures, missing face-to-face communication, mistakes within face-to-face communication). The qualitative nature of the study allowed the underlying cause of the errors to be explored. In addition to some individual mistakes, system faults were identified as a major cause of errors. Observed examples and interviews demonstrated several challenges to interprofessional teamworking which may cause errors, including: lack of time, part-time staff leading to frequent handovers, branch differences and individual veterinary surgeon work preferences. Lessons are drawn for building better veterinary teams and implications for Disciplinary Proceedings considered
Theoretical prediction of spectral and optical properties of bacteriochlorophylls in thermally disordered LH2 antenna complexes
A general approach for calculating spectral and optical properties of
pigment-protein complexes of known atomic structure is presented. The method,
that combines molecular dynamics simulations, quantum chemistry calculations
and statistical mechanical modeling, is demonstrated by calculating the
absorption and circular dichroism spectra of the B800-B850 BChls of the LH2
antenna complex from Rs. molischianum at room temperature. The calculated
spectra are found to be in good agreement with the available experimental
results. The calculations reveal that the broadening of the B800 band is mainly
caused by the interactions with the polar protein environment, while the
broadening of the B850 band is due to the excitonic interactions. Since it
contains no fitting parameters, in principle, the proposed method can be used
to predict optical spectra of arbitrary pigment-protein complexes of known
structure.Comment: ReVTeX4, 11 pages, 9 figures, submitted to J. Chem. Phy
WavePacket: A Matlab package for numerical quantum dynamics. III: Quantum-classical simulations and surface hopping trajectories
WavePacket is an open-source program package for numerical simulations in
quantum dynamics. Building on the previous Part I [Comp. Phys. Comm. 213,
223-234 (2017)] and Part II [Comp. Phys. Comm. 228, 229-244 (2018)] which dealt
with quantum dynamics of closed and open systems, respectively, the present
Part III adds fully classical and mixed quantum-classical propagations to
WavePacket. In those simulations classical phase-space densities are sampled by
trajectories which follow (diabatic or adiabatic) potential energy surfaces. In
the vicinity of (genuine or avoided) intersections of those surfaces
trajectories may switch between surfaces. To model these transitions, two
classes of stochastic algorithms have been implemented: (1) J. C. Tully's
fewest switches surface hopping and (2) Landau-Zener based single switch
surface hopping. The latter one offers the advantage of being based on
adiabatic energy gaps only, thus not requiring non-adiabatic coupling
information any more.
The present work describes the MATLAB version of WavePacket 6.0.2 which is
essentially an object-oriented rewrite of previous versions, allowing to
perform fully classical, quantum-classical and quantum-mechanical simulations
on an equal footing, i.e., for the same physical system described by the same
WavePacket input. The software package is hosted and further developed at the
Sourceforge platform, where also extensive Wiki-documentation as well as
numerous worked-out demonstration examples with animated graphics are
available
Secondary literacy across the curriculum: Challenges and possibilities
This paper discusses the challenges and possibilities attendant upon successfully implementing literacy across the curriculum initiatives – or ‘school language policies’ as they have come to be known - particularly at the secondary or high school level. It provides a theoretical background to these issues, exploring previous academic discussions of school language policies, and highlights key areas of concern as well as opportunity with respect to school implementation of such policies. As such, it provides a necessary conceptual background to the subsequent papers in this special issue, which focus upon the Secondary Schools’ Literacy Initiative (SSLI) – a New Zealand funded programme that aims to establish cross-curricular language and literacy policies in secondary schools
Diurnal ocean surface layer model validation
The diurnal ocean surface layer (DOSL) model at the Fleet Numerical Oceanography Center forecasts the 24-hour change in a global sea surface temperatures (SST). Validating the DOSL model is a difficult task due to the huge areas involved and the lack of in situ measurements. Therefore, this report details the use of satellite infrared multichannel SST imagery to provide day and night SSTs that can be directly compared to DOSL products. This water-vapor-corrected imagery has the advantages of high thermal sensitivity (0.12 C), large synoptic coverage (nearly 3000 km across), and high spatial resolution that enables diurnal heating events to be readily located and mapped. Several case studies in the subtropical North Atlantic readily show that DOSL results during extreme heating periods agree very well with satellite-imagery-derived values in terms of the pattern of diurnal warming. The low wind and cloud-free conditions necessary for these events to occur lend themselves well to observation via infrared imagery. Thus, the normally cloud-limited aspects of satellite imagery do not come into play for these particular environmental conditions. The fact that the DOSL model does well in extreme events is beneficial from the standpoint that these cases can be associated with the destruction of the surface acoustic duct. This so-called afternoon effect happens as the afternoon warming of the mixed layer disrupts the sound channel and the propagation of acoustic energy
Permutative categories, multicategories, and algebraic K-theory
We show that the -theory construction of arXiv:math/0403403, which
preserves multiplicative structure, extends to a symmetric monoidal closed
bicomplete source category, with the multiplicative structure still preserved.
The source category of arXiv:math/0403403, whose objects are permutative
categories, maps fully and faithfully to the new source category, whose objects
are (based) multicategories
Thermal broadening of the J-band in disordered linear molecular aggregates: A theoretical study
We theoretically study the temperature dependence of the J-band width in
disordered linear molecular aggregates, caused by dephasing of the exciton
states due to scattering on vibrations of the host matrix. In particular, we
consider inelastic one- and two-phonon scattering between different exciton
states (energy-relaxation-induced dephasing), as well as elastic two-phonon
scattering of the excitons (pure dephasing). The exciton states follow from
numerical diagonalization of a Frenkel Hamiltonian with diagonal disorder; the
scattering rates between them are obtained using the Fermi Golden Rule. A
Debye-like model for the one- and two-phonon spectral densities is used in the
calculations. We find that, owing to the disorder, the dephasing rates of the
individual exciton states are distributed over a wide range of values. We also
demonstrate that the dominant channel of two-phonon scattering is not the
elastic one, as is often tacitly assumed, but rather comes from a similar
two-phonon inelastic scattering process. In order to study the temperature
dependence of the J-band width, we simulate the absorption spectrum, accounting
for the dephasing induced broadening of the exciton states. We find a power-law
(T^p) temperature scaling of the effective homogeneous width, with an exponent
p that depends on the shape of the spectral density of host vibrations. In
particular, for a Debye model of vibrations, we find p ~ 4, which is in good
agreement with experimental data on J-aggregates of pseudoisocyanine [J. Phys.
Chem. A 101, 7977 (1997)].Comment: 14 pages, 7 figure
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