Efficient analysis of highly complex nuclear magnetic resonance spectra of flexible solutes in ordered liquids by using molecular dynamics

The NMR spectra of n-pentane as solute in the liquid crystal 5CB are measured at several temperatures in the nematic phase. Atomistic molecular dynamics simulations of this system are carried out to predict the dipolar couplings of the orientationally ordered pentane, and the spectra predicted from these simulations are compared with the NMR experimental ones. The simulation predictions provide an excellent starting point for analysis of the experimental NMR spectra using the covariance matrix adaptation evolutionary strategy. This shows both the power of atomistic simulations for aiding spectral analysis and the success of atomistic molecular dynamics in modeling these anisotropic systems. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4705271

Social inclusion and professional female migrants in multicultural Australia

The goal of the thesis is to scrutinise the experiences of professional female migrants in Australia. The study was undertaken in the context of the emergence of a policy focus on ‘social inclusion’ and ‘social exclusion’ in Australia and elsewhere and in the context of renewed debates in Australia about multiculturalism. Social inclusion refers to a policy focus on enabling the full participation of citizens in the life of the nation, including economic, social, cultural and political participation (Gillard & Wong, 2007). In turn, social exclusion refers to a policy focus on identifying and addressing groups whose participation is constrained, often measured along the dimensions of consumption, production, political engagement, social support and cultural life (see for example, Burchardt, Le Grand, & Piachaud, 2002; Richardson & Le Grand, 2002). This research is interested in testing the relevance of these frameworks for understanding and addressing the experiences of professional female migrants in multicultural Australia. The thesis involved a study of twenty professional female migrants living in Sydney who participated in in-depth interviews. All respondents belonged to a highly skilled occupational group and a prerequisite was that they held a primary professional qualification before migration to Australia. Participants, who were from both English speaking and non-English speaking backgrounds provided detailed narratives of their lives and experiences since migration to Australia, and these narratives provided a window into the specificities of professional female migrants’ perceptions of moving to Australia, settling in Australia and ‘belonging’ in Australia. These insights add to the body of knowledge on migration and social inclusion and exclusion. The research found that the relevance of the dominant social inclusion framework for analysing their migration and settlement experiences is only partial: this is because of the prioritisation of economic participation as a route to social inclusion. The social inclusion framework, consequently, fails to recognise the cultural dimension of social inclusion by assuming that social inclusion in multicultural Australia can be achieved and maintained through the active economic participation of Australian citizens. In addition, the study found that the dominant social inclusion policy framework does not recognise an important aspect of professional female migrants’ identity: transnational relationships and transnational belonging. In terms of the specificities of professional female migrants’ experiences, the thesis proposes a structure for talking about differences in experiences of inclusion that uses measures such as participation in paid work, either in mainstream or in ethno-specific workplaces; participation in social life, either in or in and beyond their own ethnic community; self-perception of being, or not being, included - a dimension that was often based on whether or not they experienced racism. Based on these factors, women’s experiences could be categorised as varying between deep, borderline, marginal and shallow inclusion. The thesis also finds that although social inclusion does not equal assimilation or a transition from being a migrant, social inclusion is possible in the context of ethnic and cultural differences

Reduction of blood culture contamination rate by an educational intervention

Background: Although mechanical dyssynchrony parameters derived by speckle tracking echocardiography (STE) may predict response to cardiac resynchronization therapy (CRT), comparability of parameters derived with different STE vendors is unknown. Methods: In the MARC study, echocardiographic images of heart failure patients obtained before CRT implantation were prospectively analysed with vendor specific STE software (GE EchoPac and Philips QLAB) and vendor-independent software (TomTec 2DCPA). Response was defined as change in left ventricular (LV) end-systolic volume between examination before and six-months after CRT implantation. Basic longitudinal strain and mechanical dyssynchrony parameters (septal to lateral wall delay (SL-delay), septal systolic rebound stretch (SRSsept), and systolic stretch index (SSI)) were obtained from either separate septal and lateral walls, or total LV apical four chamber. Septal strain patterns were categorized in three types. The coefficient of variation and intra-class correlation coefficient (ICC) were analysed. Dyssynchrony parameters were associated with CRT response using univariate regression analysis and C-statistics. Results: Two-hundred eleven patients were analysed. GE-cohort (n = 123): age 68 years (interquartile range (IQR): 61-73), 67% male, QRS-duration 177ms (IQR: 160-192), LV ejection fraction: 26 +/- 7%. Philips-cohort (n = 88): age 67 years (IQR: 59-74), 60% male, QRS-duration: 179 ms (IQR: 166-193), LV ejection fraction: 27 +/- 8. LV derived peak strain was comparable in the GE-(GE: -7.3 +/- 3.1%, TomTec: -6.4 +/- 2.8%, ICC: 0.723) and Philips-cohort (Philips: -7.7 +/- 2.7%, TomTec: -7.7 +/- 3.3%, ICC: 0.749). SL-delay showed low ICC values (GE vs. TomTec: 0.078 and Philips vs. TomTec: 0.025). ICC's of SRSsept and SSI were higher but only weak (GE vs. TomTec: SRSsept: 0.470, SSI: 0.467) (Philips vs. QLAB: SRSsept: 0.419, SSI: 0.421). Comparability of septal strain patterns was low (Cohen's kappa, GE vs. TomTec: 0.221 and Philips vs. TomTec: 0.279). Septal strain patterns, SRSsept and SSI were associated with changes in LV end-systolic volume for all vendors. SRSsept and SSI had relative varying C-statistic values (range: 0.530-0.705) and different cut-off values between vendors. Conclusions: Although global longitudinal strain analysis showed fair comparability, assessment of dyssynchrony parameters was vendor specific and not applicable outside the context of the implemented platform. While the standardization taskforce took an important step for global peak strain, further standardization of STE is still warranted