2,956 research outputs found
Employers skill survey : case study : health and social care
"This report examines the relationship between service delivery strategies and processes, and the
deployment of skills, recruitment problems and skill gaps within selected sub-sectors of health and
social care. The sub-sectors within health are physiotherapy and radiography. Within social care
the focus is on care of the elderly (both residential and domiciliary care).
Although subject to similar drivers and associated pressures, the two sub-sectors of health and social
care display markedly different characteristics, particularly in terms of service delivery strategies,
qualification frameworks and utilisation of skills. In simple terms, the health and social care subsectors
considered within this report may be thought of as being situated at opposite poles of the ‘skills spectrum’: with radiography and physiotherapy characterised by high level skills, while care of the elderly is traditionally associated with low level skills. Hence, the two sub-sectors are discussed separately throughout this report. The greater complexity and range of skills required in the two health sub-sectors is reflected in the comparative length of the two sections of the report" - page 9
Protein synthesis in Plasmodium falciparum gametocytes cultured in vitro
Imperial Users onl
Exploration of Reaction Pathways and Chemical Transformation Networks
For the investigation of chemical reaction networks, the identification of
all relevant intermediates and elementary reactions is mandatory. Many
algorithmic approaches exist that perform explorations efficiently and
automatedly. These approaches differ in their application range, the level of
completeness of the exploration, as well as the amount of heuristics and human
intervention required. Here, we describe and compare the different approaches
based on these criteria. Future directions leveraging the strengths of chemical
heuristics, human interaction, and physical rigor are discussed.Comment: 48 pages, 4 figure
Heuristics-Guided Exploration of Reaction Mechanisms
For the investigation of chemical reaction networks, the efficient and
accurate determination of all relevant intermediates and elementary reactions
is mandatory. The complexity of such a network may grow rapidly, in particular
if reactive species are involved that might cause a myriad of side reactions.
Without automation, a complete investigation of complex reaction mechanisms is
tedious and possibly unfeasible. Therefore, only the expected dominant reaction
paths of a chemical reaction network (e.g., a catalytic cycle or an enzymatic
cascade) are usually explored in practice. Here, we present a computational
protocol that constructs such networks in a parallelized and automated manner.
Molecular structures of reactive complexes are generated based on heuristic
rules derived from conceptual electronic-structure theory and subsequently
optimized by quantum chemical methods to produce stable intermediates of an
emerging reaction network. Pairs of intermediates in this network that might be
related by an elementary reaction according to some structural similarity
measure are then automatically detected and subjected to an automated search
for the connecting transition state. The results are visualized as an
automatically generated network graph, from which a comprehensive picture of
the mechanism of a complex chemical process can be obtained that greatly
facilitates the analysis of the whole network. We apply our protocol to the
Schrock dinitrogen-fixation catalyst to study alternative pathways of catalytic
ammonia production.Comment: 27 pages, 9 figure
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