Dynamic evolution of supported metal nanocatalyst/carbon structure during single-walled carbon nanotube growth.

Single-walled carbon nanotubes (SCWNTs) have outstanding properties that depend on structural features such as their chirality. Thus, developing a strategy to control chirality during SWCNT synthesis is critical for the exploitation of nanotube-based technologies in fields such as electronics and biomedicine. In response to this need, tuning the nanocatalyst structure has been envisioned as a means to control the nanotube structure. We use reactive classical molecular dynamics to simulate nanotube growth on supported Ni(32), Ni(80), and Ni(160) nanoparticles at various metal/support interaction strengths (E(adh)). The initial carbon ring formation is shown to correlate to the nanoparticle surface structure, demonstrating the existence of a "template effect" through a dominant occupation of hollow sites. The E(adh) strength alters the dynamic/structural behavior of the nanoparticle, in turn influencing the interplay between nanotube and nanoparticle structures. For example, the contact region between the nanoparticle surface and the growing nanotube decreases as E(adh) increases because capillary forces that raise the metal into the nanotube are counteracted by the strong metal/support interaction. The nanoparticle mobility decreases as E(adh) increases, eliminating a possible inverse template effect but hindering defect annealing in detriment of the nanotube/nanoparticle structural correlation. On the other hand, the contact between the nanoparticle and the nanotube increases with nanoparticle size. However, the heterogeneity of the nanoparticle structure increases with size, reducing the structural correlation. These results suggest that an appropriate combination of nanoparticle size and strength of the catalyst/support interaction may enhance the desired template effect and bias formation of specific nanotube chiralities.

A benchmarking study of two trauma centres highlighting limitations when standardising mortality for comorbidity.

INTRODUCTION: A continuous process of trauma centre evaluation is essential to ensure the development and progression of trauma care at regional, national and international levels. Evaluation may be by comparison between pooled datasets or by direct benchmarking between centres. This study attempts to benchmark mortality at two trauma centres standardising this for multiple case-mix factors, which includes the prevalence of individual background pre-existing diseases within the study population. METHODS: Trauma patients with an Injury Severity Score (ISS) >15 admitted to the two centres in 2001 and 2002 were included in the study with the exception of those who died in the emergency department. Patient characteristics were analysed in terms of 18 case-mix factors including Glasgow Coma Scale on arrival, Injury Severity Score and the presence or absence of 9 co-morbidity types, and patient outcome was compared based on in-hospital mortality before and after standardisation. RESULTS: Crude mortality was greater at UHNS (18.2 vs 14.5%) with a non-significant odds ratio of 1.31 prior to adjusting for case-mix (P = 0.171). Adjustment for case mix using logistic regression analysis altered the odds ratio to 1.64, which was not significant (P = 0.069). DISCUSSION: This study did not demonstrate any significant difference in the outcome of patients treated at either hospital during the study period. More importantly it has raised several important methodological issues pertinent to researchers undertaking registry based benchmarking studies. Data at the two registries was collected by personnel with differing backgrounds, in formats that were not completely compatible and was collected for patients that met different admissions criteria. The inclusion of a meaningful analysis of pre-existing disease was limited by the availability of robust data and sample size. We suggest greater communication between trauma research coordinators to ensure equivalent data collection and facilitate future benchmarking studies.