538 research outputs found
Musical pathways: An exploratory study of young people in the criminal justice system, engaged with a creative music programme
There is growing evidence from across the arts and health field that suggests that participatory arts programmes can contribute to health improvement, emotional resilience and social reintegration, among vulnerable and excluded groups including criminal justice populations. This report presents a three-year research project funded by the BIG Lottery Fund that completed in 2013. The project was a collaboration between Superact Community Interest Company and the University of the West of England, Bristol. It used mixed methods to investigate a participatory music programme delivered to young people in justice settings by Superact.The research was conducted within a range of custody and community based youth justice settings. These included Young Offender Institutions, Juvenile Secure Units and Prisons, Secure Children’s Homes and Youth Offending Teams. Ethnographic research explored responses and perceptions of Superact’s music programme, focusing on links between music and health, wellbeing, behaviour and social inclusion. Data collection included participant observation, semi-structured interviews and focus groups across eight sites and fifteen programes. As well as examining in depth the responses and views of young people who took part, the research explored the perceptions of stakeholders including prison staff and musicians. A key objective of the research was to pilot conventional validated health, wellbeing and social inclusion questionnaires with this population, partly to establish baseline scores and also to explore the feasibility of measuring these indicators with a transient and ‘hard-to-reach’ population.The research has yielded valuable insight into the perspectives and attitudes of young people in justice settings, in relation to music and their identification with it, and participatory music programming. The research reveals the effects of group dynamics, institutional systems, behavioural factors and population transience on delivery of programmes across these settings. Perhaps inevitably, the high degree of transience of the population impacted on programme attendance and participation, limiting what could be drawn from the quantitative data. However, while the baseline questionnaire data reveal no significant findings with respect to health, wellbeing and social inclusion indicators, the qualitative findings reveal a myriad of themes that underlie the process of programme delivery and the value of music to individuals. These data reveal significant affordances offered by music making for young people and illustrate programme and contextual factors necessary for these affordances to be realised. Essentially, creative music making has the potential to engage even ‘hard to reach’ young people, delivering positive learning experiences and enabling them to forge new identities. Active engagement in arts programmes of this kind can deliver life-changing benefits for some individuals; certainly, for the majority of participants in this study, the programme was valuable in helping them cope with difficult circumstances, including custody, and to consider how music could help them look positively towards the future. Team-building, group dynamics and creativity were key factors underlining successful programme delivery and effective engagement of young people.In conclusion, we argue that participatory music programmes provide opportunities to young people to engage alternative skills and competencies that are not routinely afforded them via conventional education and training programmes. Moreover, music provides a medium that enables young people to engage their life experiences in creative ways, to identify positively with music, to draw on knowledge and experiences, and to engage with their peer group. An important feature of programmes delivered by professional musicians is that they have the skills and experience to garner respect from young people, particularly groups that are difficult to engage and present with challenging attitudes and behaviours. We believe that music programmes that take this approach are a major asset to youth justice organisations, especially since they are located outside the system and therefore command respect and credibility from young people
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Improved chemistry restraints for crystallographic refinement by integrating the Amber force field into Phenix.
The refinement of biomolecular crystallographic models relies on geometric restraints to help to address the paucity of experimental data typical in these experiments. Limitations in these restraints can degrade the quality of the resulting atomic models. Here, an integration of the full all-atom Amber molecular-dynamics force field into Phenix crystallographic refinement is presented, which enables more complete modeling of biomolecular chemistry. The advantages of the force field include a carefully derived set of torsion-angle potentials, an extensive and flexible set of atom types, Lennard-Jones treatment of nonbonded interactions and a full treatment of crystalline electrostatics. The new combined method was tested against conventional geometry restraints for over 22 000 protein structures. Structures refined with the new method show substantially improved model quality. On average, Ramachandran and rotamer scores are somewhat better, clashscores and MolProbity scores are significantly improved, and the modeling of electrostatics leads to structures that exhibit more, and more correct, hydrogen bonds than those refined using traditional geometry restraints. In general it is found that model improvements are greatest at lower resolutions, prompting plans to add the Amber target function to real-space refinement for use in electron cryo-microscopy. This work opens the door to the future development of more advanced applications such as Amber-based ensemble refinement, quantum-mechanical representation of active sites and improved geometric restraints for simulated annealing
A risk-adjusted performance history of public and private market real estate investment, 1978-1997
Thesis (S.M.)--Massachusetts Institute of Technology, Dept. of Urban Studies and Planning, 1999.Includes bibliographical references (leaves 51-54).Since the inception of the Real Estate Investment Trust ("REIT"), the relative efficiency of the public and private real estate markets has been the subject of debate. Consequently, a determination of the more efficient real estate investment vehicle will probably have a significant effect on the future flow of capital into all real estate assets. This thesis proposes to identify which real estate investment medium, public or private, has provided greater efficiency to its investors as measured by risk adjusted total return over the 20 year period from 1978-1997. The initial objective of this thesis was to create a publicly traded real estate equity index(the "Thesis index") for comparison to the existing National Association of Real Estate Investment Trusts ("NAREIT") equity index in an effort to replicate the returns of the latter. This equity Thesis index is an annual weighted compilation of the total returns of each existing equity REIT, as identified by a query of the Compustat database, for each given year from 1978 through 1997. Returns were calculated as of the calendar year end commencing in 1978 and continuing through calendar year end 1997. The core objective of this thesis was to ultimately compare the de-levered Thesis index to the existing National Council of Real Estate Investment Fiduciaries ("NCREIF") index in order to determine which index has provided a greater risk adjusted return over the time series in question. Given the disparities in the risk profiles of the underlying indices and the need to ensure a homogeneous comparison, adjustments to the Thesis index have been made in order to compensate for leverage in the REIT capital structure, for the presence of development risk in the current REIT asset base, and for the respective weight of each real estate asset class within the NCREIF index.by Mark P. Moriarty and Pennock J. Yeatman, IV.S.M
Measuring the reactivity of a silicon-terminated probe
It is generally accepted that the exposed surfaces of silicon crystals are highly reactive due to the dangling bonds which protrude into the vacuum. However, surface reconstruction can not only modify the reactivity of bulk silicon crystals, but plays a key role in determining the properties of silicon nanocrystals. In this study we probe the reactivity of silicon clusters at the end of a scanning probe tip by examining their interaction with closed shell fullerene molecules. Counter to intuitive expectations, many silicon clusters do not react strongly with the fullerene cage, and we find that only specific highly oriented clusters have sufficient reactivity to break open the existing carbon-carbon bonds
Measuring the mechanical properties of molecular conformers
Scanning probe-actuated single molecule manipulation has proven to be an exceptionally powerful tool for the systematic atomic-scale interrogation of molecular adsorbates. To date, however, the extent to which molecular conformation affects the force required to push or pull a single molecule has not been explored. Here we probe the mechanochemical response of two tetra(4-bromophenyl)porphyrin conformers using non-contact atomic force microscopy where we find a large difference between the lateral forces required for manipulation. Remarkably, despite sharing very similar adsorption characteristics, variations in the potential energy surface are capable of prohibiting probe-induced positioning of one conformer, while simultaneously permitting manipulation of the alternative conformational form. Our results are interpreted in the context of dispersion-corrected density functional theory calculations which reveal significant differences in the diffusion barriers for each conformer. These results demonstrate that conformational variation significantly modifies the mechanical response of even simple porpyhrins, potentially affecting many other flexible molecules
Simulated structure and imaging of NTCDI on Si(1 1 1)-7 × 7 : a combined STM, NC-AFM and DFT study
The adsorption of naphthalene tetracarboxylic diimide (NTCDI) on Si(1 1 1)-7 × 7 is investigated through a combination of scanning tunnelling microscopy (STM), noncontact atomic force microscopy (NC-AFM) and density functional theory (DFT) calculations. We show that NTCDI adopts multiple planar adsorption geometries on the Si(1 1 1)-7 × 7 surface which can be imaged with intramolecular bond resolution using NC-AFM. DFT calculations reveal adsorption is dominated by covalent bond formation between the molecular oxygen atoms and the surface silicon adatoms. The chemisorption of the molecule is found to induce subtle distortions to the molecular structure, which are observed in NC-AFM images
Automated ligand fitting by core-fragment fitting and extension into density
An automated ligand-fitting procedure has been developed and tested on 9327 ligands and (F
o − F
c)exp(iϕc) difference density from macromolecular structures in the Protein Data Bank
Intermolecular artifacts in probe microscope images of C60 assemblies
Claims that dynamic force microscopy has the capability to resolve intermolecular bonds in real space continue to be vigorously debated. To date, studies have been restricted to planar molecular assemblies with small separations between neighboring molecules. Here we report the observation of intermolecular artifacts over much larger distances in 2D assemblies of C60 molecules, with compelling evidence that in our case the tip apex is terminated by a C60 molecule (rather than the CO termination typically exploited in ultrahigh resolution force microscopy). The complete absence of directional interactions such as hydrogen or halogen bonding, the nonplanar structure of C60, and the fullerene termination of the tip apex in our case highlight that intermolecular artifacts are ubiquitous in dynamic force microscopy
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