Modeling the tetraphenylalanine-PEG hybrid amphiphile: from DFT calculations on the peptide to molecular dynamics simulations on the conjugate

The conformational properties of the hybrid amphiphile formed by the conjugation of a hydrophobic peptide with four phenylalanine (Phe) residues and hydrophilic poly(ethylene glycol), have been investigated using quantum mechanical calculations and atomistic molecular dynamics simulations. The intrinsic conformational preferences of the peptide were examined using the building-up search procedure combined with B3LYP/ 6-31G(d) geometry optimizations, which led to the identification of 78, 78, and 92 minimum energy structures for the peptides containing one, two, and four Phe residues. These peptides tend to adopt regular organizations involving turn-like motifs that define ribbon or helicallike arrangements. Furthermore, calculations indicate that backbone ... side chain interactions involving the N-H of the amide groups and the pi clouds of the aromatic rings play a crucial role in Phe-containing peptides. On the other hand,MD simulations on the complete amphiphile in aqueous solution showed that the polymer fragment rapidly unfolds maximizing the contacts with the polar solvent, even though the hydrophobic peptide reduce the number of waters of hydration with respect to an individual polymer chain of equivalent molecular weight. In spite of the small effect of the peptide in the hydrodynamic properties of the polymer, we conclude that the two counterparts of the amphiphile tend to organize as independent modules.

An improved lesion detection approach based on similarity measurement between fuzzy intensity segmentation and spatial probability maps

The application of automatic segmentation methods in lesion detection is desirable. However, such methods are restricted by intensity similarities between lesioned and healthy brain tissue. Using multi-spectral magnetic resonance imaging (MRI) modalities may overcome this problem but it is not always practicable. In this article, a lesion detection approach requiring a single MRI modality is presented, which is an improved method based on a recent publication. This new method assumes that a low similarity should be found in the regions of lesions when the likeness between an intensity based fuzzy segmentation and a location based tissue probabilities is measured. The usage of a normalized similarity measurement enables the current method to fine-tune the threshold for lesion detection, thus maximizing the possibility of reaching high detection accuracy. Importantly, an extra cleaning step is included in the current approach which removes enlarged ventricles from detected lesions. The performance investigation using simulated lesions demonstrated that not only the majority of lesions were well detected but also normal tissues were identified effectively. Tests on images acquired in stroke patients further confirmed the strength of the method in lesion detection. When compared with the previous version, the current approach showed a higher sensitivity in detecting small lesions and had less false positives around the ventricle and the edge of the brain

Hybrid Brains - Biology, Technology Merger

In this paper an attempt has been made to take a look at how the use of implant and electrode technology can now be employed to create biological brains for robots, to enable human enhancement and to diminish the effects of certain neural illnesses. In all cases the end result is to increase the range of abilities of the recipients. An indication is given of a number of areas in which such technology has already had a profound effect, a key element being the need for a clear interface linking the human brain directly with a computer. An overview of some of the latest developments in the field of Brain to Computer Interfacing is also given in order to assess advantages and disadvantages. The emphasis is clearly placed on practical studies that have been and are being undertaken and reported on, as opposed to those speculated, simulated or proposed as future projects. Related areas are discussed briefly only in the context of their contribution to the studies being undertaken. The area of focus is notably the use of invasive implant technology, where a connection is made directly with the cerebral cortex and/or nervous system. Tests and experimentation which do not involve human subjects are invariably carried out a priori to indicate the eventual possibilities before human subjects are themselves involved. Some of the more pertinent animal studies from this area are discussed including our own involving neural growth. The paper goes on to describe human experimentation, in which neural implants have linked the human nervous system bi-directionally with technology and the internet. A view is taken as to the prospects for the future for this implantable computing in terms of both therapy and enhancement.

Modular non-computational-connectionist-hybrid neural network approach to robotic systems

Spiking neural networks are usually limited in their applications due to their complex mathematical models and the lack of intuitive learning algorithms. In this paper, a simpler, novel neural network derived from a leaky integrate and fire neuron model, the ‘cavalcade’ neuron, is presented. A simulation for the neural network has been developed and two basic learning algorithms implemented within the environment. These algorithms successfully learn some basic temporal and instantaneous problems. Inspiration for neural network structures from these experiments are then taken and applied to process sensor information so as to successfully control a mobile robot.

Exploiting a hybrid environmental design strategy in the continental climate of Beijing

The built environment in China is required to achieve a 50% reduction in carbon emissions by 2020 against the 1980 design standard. A particular challenge is how to maintain acceptable comfort conditions through the hot humid summers and cold desiccating winters of its continental climate regions. Fully air-conditioned sealed envelopes, often fully glazed, are becoming increasingly common in these regions. Remedial strategies involve technical refinements to the air-handling equipment and a contribution from renewable energy sources in an attempt to achieve the prescribed net reduction in energy use. However an alternative hybrid environmental design strategy is developed in this research project. It exploits observed temperate periods of weeks, days, even hours in duration to free-run an office and exhibition building configured to promote natural stack ventilation when ambient conditions permit and mechanical ventilation when conditions require it, the two modes delivered through the same physical infrastructure. The proposal is modelled in proprietary software and the methodology adopted is described. The challenge is compounded by its first practical application to an existing reinforced concrete frame originally designed to receive a highly glazed envelope. This original scheme is reviewed in comparison. Furthermore the practical delivery of the proposal value engineered out a proportion of the ventilation stacks. The likely consequence of this for the environmental performance of the building is investigated through a sensitivity study.

System dynamics mapping of acute patient flows

Department of Health staff wished to use systems modelling to discuss acute patient flows with groups of NHS staff. The aim was to assess the usefulness of system dynamics (SD) in a healthcare context and to elicit proposals concerning ways of improving patient experience. Since time restrictions excluded simulation modelling, a hybrid approach using stock/flow symbols from SD was created. Initial interviews and hospital site visits generated a series of stock/flow maps. A ‘Conceptual Framework’ was then created to introduce the mapping symbols and to generate a series of questions about different patient paths and what might speed or slow patient flows. These materials formed the centre of three workshops for NHS staff. The participants were able to propose ideas for improving patient flows and the elicited data was subsequently employed to create a finalized suite of maps of a general acute hospital. The maps and ideas were communicated back to the Department of Health and subsequently assisted the work of the Modernization Agency.

Passive and active hybrid approach to buildings design in Saudi Arabia

The building sector is one of the highest consumers of energy in the world. This has led to high dependency on using fossil fuel to supply energy without due consideration to its environmental impact. Saudi Arabia has been through rapid development accompanied by population growth, which in turn has increased the demand for construction. However, this fast development has been met without considering sustainable building design. General design practices rely on using international design approaches and features without considering the local climate and aspects of traditional passive design. This is by constructing buildings with a large amount of glass fully exposed to solar radiation. The aim of this paper is to investigate the development of sustainability in passive design and vernacular architecture. Furthermore, it compares them with current building in Saudi Arabia in terms of making the most of the climate. Moreover, it will explore the most sustainable renewable energy that can be used to reduce the environmental impact on modern building in Saudi Arabia. This will be carried out using case studies demonstrating the performance of vernacular design in Saudi Arabia and thus its benefits in terms of environmental, economic and social sustainability. It argues that the adoption of a hybrid approach can improve the energy efficiency as well as reduce the carbon footprint of buildings. This is by combining passive design, learning from the vernacular architecture and implementing innovative sustainable technologies.

Deriving global flood hazard maps of fluvial floods through a physical model cascade

Global flood hazard maps can be used in the assessment of flood risk in a number of different applications, including (re)insurance and large scale flood preparedness. Such global hazard maps can be generated using large scale physically based models of rainfall-runoff and river routing, when used in conjunction with a number of post-processing methods. In this study, the European Centre for Medium Range Weather Forecasts (ECMWF) land surface model is coupled to ERA-Interim reanalysis meteorological forcing data, and resultant runoff is passed to a river routing algorithm which simulates floodplains and flood flow across the global land area. The global hazard map is based on a 30 yr (1979–2010) simulation period. A Gumbel distribution is fitted to the annual maxima flows to derive a number of flood return periods. The return periods are calculated initially for a 25×25 km grid, which is then reprojected onto a 1×1 km grid to derive maps of higher resolution and estimate flooded fractional area for the individual 25×25 km cells. Several global and regional maps of flood return periods ranging from 2 to 500 yr are presented. The results compare reasonably to a benchmark data set of global flood hazard. The developed methodology can be applied to other datasets on a global or regional scale.

The MaPS project: mapping teacher conceptions of musical development

The chapter starts from the premise that an historically- and institutionally-formed orientation to music education at primary level in European countries privileges a nineteenth century Western European music aesthetic, with its focus on formal characteristics such as melody and rhythm. While there is a move towards a multi-faceted understanding of musical ability, a discrete intelligence and willingness to accept musical styles or 'open-earedness', there remains a paucity of documented evidence of this in research at primary school level. To date there has been no study undertaken which has the potential to provide policy makers and practitioners with insights into the degree of homogeneity or universality in conceptions of musical ability within this educational sector. Against this background, a study was set up to explore the following research questions: 1. What conceptions of musical ability do primary teachers hold a) of themselves and; b) of their pupils? 2. To what extent are these conceptions informed by Western classical practices? A mixed methods approach was used which included survey questionnaire and semi-structured interview. Questionnaires have been sent to all classroom teachers in a random sample of primary schools in the South East of England. This was followed up with a series of semi-structured interviews with a sub-sample of respondents. The main ideas are concerned with the attitudes, beliefs and working theories held by teachers in contemporary primary school settings. By mapping the extent to which a knowledge base for teaching can be resistant to change in schools, we can problematise primary schools as sites for diversity and migration of cultural ideas. Alongside this, we can use the findings from the study undertaken in an English context as a starting point for further investigation into conceptions of music, musical ability and assessment held by practitioners in a variety of primary school contexts elsewhere in Europe; our emphasis here will be on the development of shared understanding in terms of policies and practices in music education. Within this broader framework, our study can have a significant impact internationally, with potential to inform future policy making, curriculum planning and practice.

Quantifying uncertainty in remotely sensed land cover maps

Remotely sensed land cover maps are increasingly used as inputs into environmental simulation models whose outputs inform decisions and policy-making. Risks associated with these decisions are dependent on model output uncertainty, which is in turn affected by the uncertainty of land cover inputs. This article presents a method of quantifying the uncertainty that results from potential mis-classification in remotely sensed land cover maps. In addition to quantifying uncertainty in the classification of individual pixels in the map, we also address the important case where land cover maps have been upscaled to a coarser grid to suit the users’ needs and are reported as proportions of land cover type. The approach is Bayesian and incorporates several layers of modelling but is straightforward to implement. First, we incorporate data in the confusion matrix derived from an independent field survey, and discuss the appropriate way to model such data. Second, we account for spatial correlation in the true land cover map, using the remotely sensed map as a prior. Third, spatial correlation in the mis-classification characteristics is induced by modelling their variance. The result is that we are able to simulate posterior means and variances for individual sites and the entire map using a simple Monte Carlo algorithm. The method is applied to the Land Cover Map 2000 for the region of England and Wales, a map used as an input into a current dynamic carbon flux model.