322 research outputs found
Molecular dynamics simulation of the fragile glass former ortho-terphenyl: a flexible molecule model
We present a realistic model of the fragile glass former orthoterphenyl and
the results of extensive molecular dynamics simulations in which we
investigated its basic static and dynamic properties. In this model the
internal molecular interactions between the three rigid phenyl rings are
described by a set of force constants, including harmonic and anharmonic terms;
the interactions among different molecules are described by Lennard-Jones
site-site potentials. Self-diffusion properties are discussed in detail
together with the temperature and momentum dependencies of the
self-intermediate scattering function. The simulation data are compared with
existing experimental results and with the main predictions of the Mode
Coupling Theory.Comment: 20 pages and 28 postscript figure
Towards an effective potential for the monomer, dimer, hexamer, solid and liquid forms of hydrogen fluoride
We present an attempt to build up a new two-body effective potential for
hydrogen fluoride, fitted to theoretical and experimental data relevant not
only to the gas and liquid phases, but also to the crystal. The model is simple
enough to be used in Molecular Dynamics and Monte Carlo simulations. The
potential consists of: a) an intra-molecular contribution, allowing for
variations of the molecular length, plus b) an inter-molecular part, with three
charged sites on each monomer and a Buckingham "exp-6" interaction between
fluorines. The model is able to reproduce a significant number of observables
on the monomer, dimer, hexamer, solid and liquid forms of HF. The shortcomings
of the model are pointed out and possible improvements are finally discussed.Comment: LaTeX, 24 pages, 2 figures. For related papers see also
http://www.chim.unifi.it:8080/~valle
Calculation of The Band Gap Energy and Study of Cross Luminescence in Alkaline-Earth Dihalide Crystals
The band gap energy as well as the possibility of cross luminescence
processes in alkaline-earth dihalide crystals have been calculated using the ab
initio Perturbed-Ion (PI) model. The gap is calculated in several ways: as a
difference between one-electron energy eigenvalues and as a difference between
total energies of appropriate electronic states of the crystal, both at the HF
level and with inclusion of Coulomb correlation effects. In order to study the
possibility of ocurrence of cross luminescence in these materials, the energy
difference between the valence band and the upmost core band for some
representative crystals has been calculated. Both calculated band gap energies
and cross luminescence predictions compare very well with the available
experimental results.Comment: LaTeX file containing 8 pages plus 1 postscript figure. Final version
accepted for publication in The Journal of the Physical Society of Japan. It
contains a more complete list of references, as well as a more detailed
comparison with previous theoretical investigations on the subjec
Silent cerebral infarct after cardiac catheterization as detected by diffusion weighted Magnetic Resonance Imaging: a randomized comparison of radial and femoral arterial approaches
Background and objective: Cerebral microembolism detected by transcranial Doppler (TCD) occurs systematically
during cardiac catheterization, but its clinical relevance, remains unknown. Studies suggest that asymptomatic embolic
cerebral infarction detectable by diffusion-weighted (DW) MRI might exist after percutaneous cardiac interventions with
a frequency as high as 15 to 22% of cases. We have set up, for the first time, a prospective multicenter trial to assess the
rate of silent cerebral infarction after cardiac catheterization and to compare the impact of the arterial access site,
comparing radial and femoral access, on this phenomenon.
Study design: This prospective study will be performed in patients with severe aortic valve stenosis. To assess the
occurrence of cerebral infarction, all patients will undergo cerebral DW-MRI and neurological assessment within 24
hours before, and 48 hours after cardiac catheterization and retrograde catheterization of the aortic valve.
Randomization for the access site will be performed before coronary angiography. A subgroup will be monitored by
transcranial power M-mode Doppler during cardiac catheterization to observe cerebral blood flow and track emboli.
Neuropsychological tests will also be recorded in a subgroup of patients before and after the interventional procedures
to assess the impact of silent brain injury on potential cognitive decline. The primary end-point of the study is a direct
comparison of ischemic cerebral lesions as detected by serial cerebral DW-MRI between patients explored by radial
access and patients explored by femoral access. Secondary end-points include comparison of neuropsychological test
performance and number of microembolism signals observed in the two groups.
Implications: Using serial DW-MRI, silent cerebral infarction rate will be defined and the potential influence of vascular
access site will be evaluated. Silent cerebral infarction might be a major concern during cardiac catheterization and its
potential relationship to cognitive decline needs to be assessed.
Study registration: The SCIPION study is registered through National Institutes of Health-sponsored clinical trials
registry and has been assigned the Identifier: NCT 00329979
The Novel Object and Unusual Name (NOUN) database: a collection of novel images for use in experimental research
Many experimental research designs require images of novel objects. Here we introduce the Novel Object and Unusual Name (NOUN) Database. This database contains 64 primary novel object images and additional novel exemplars for ten basic- and nine global-level object categories. The objectsâ novelty was confirmed by both self-report and a lack of consensus on questions that required participants to name and identify the objects. We also found that object novelty correlated with qualifying naming responses pertaining to the objectsâ colors. Results from a similarity sorting task (and subsequent multidimensional scaling analysis on the similarity ratings) demonstrated that the objects are complex and distinct entities that vary along several featural dimensions beyond simply shape and color. A final experiment confirmed that additional item exemplars comprise both sub- and superordinate categories. These images may be useful in a variety of settings, particularly for developmental psychology and other research in language, categorization, perception, visual memory and related domains
Influences of Forest Structure, Climate and Species Composition on Tree Mortality across the Eastern US
Few studies have quantified regional variation in tree mortality, or explored whether species compositional changes or within-species variation are responsible for regional patterns, despite the fact that mortality has direct effects on the dynamics of woody biomass, species composition, stand structure, wood production and forest response to climate change. Using Bayesian analysis of over 430,000 tree records from a large eastern US forest database we characterised tree mortality as a function of climate, soils, species and size (stem diameter). We found (1) mortality is U-shaped vs. stem diameter for all 21 species examined; (2) mortality is hump-shaped vs. plot basal area for most species; (3) geographical variation in mortality is substantial, and correlated with several environmental factors; and (4) individual species vary substantially from the combined average in the nature and magnitude of their mortality responses to environmental variation. Regional variation in mortality is therefore the product of variation in species composition combined with highly varied mortality-environment correlations within species. The results imply that variation in mortality is a crucial part of variation in the forest carbon cycle, such that including this variation in models of the global carbon cycle could significantly narrow uncertainty in climate change predictions
Genomic insights into the origin of farming in the ancient Near East
We report genome-wide ancient DNA from 44 ancient Near Easterners ranging in time between ~12,000 and 1,400 BC, from Natufian hunterâgatherers to Bronze Age farmers. We show that the earliest populations of the Near East derived around half their ancestry from a âBasal Eurasianâ lineage that had little if any Neanderthal admixture and that separated from other non-African lineages before their separation from each other. The first farmers of the southern Levant (Israel and Jordan) and Zagros Mountains (Iran) were strongly genetically differentiated, and each descended from local hunterâgatherers. By the time of the Bronze Age, these two populations and Anatolian-related farmers had mixed with each other and with the hunterâgatherers of Europe to greatly reduce genetic differentiation. The impact of the Near Eastern farmers extended beyond the Near East: farmers related to those of Anatolia spread westward into Europe; farmers related to those of the Levant spread southward into East Africa; farmers related to those of Iran spread northward into the Eurasian steppe; and people related to both the early farmers of Iran and to the pastoralists of the Eurasian steppe spread eastward into South Asia
Reducing depression in older home care clients: design of a prospective study of a nurse-led interprofessional mental health promotion intervention
Abstract
Background
Very little research has been conducted in the area of depression among older home care clients using personal support services. These older adults are particularly vulnerable to depression because of decreased cognition, comorbid chronic conditions, functional limitations, lack of social support, and reduced access to health services. To date, research has focused on collaborative, nurse-led depression care programs among older adults in primary care settings. Optimal management of depression among older home care clients is not currently known. The objective of this study is to evaluate the feasibility, acceptability and effectiveness of a 6-month nurse-led, interprofessional mental health promotion intervention aimed at older home care clients with depressive symptoms using personal support services.
Methods/Design
This one-group pre-test post-test study aims to recruit a total of 250 long-stay (> 60 days) home care clients, 70 years or older, with depressive symptoms who are receiving personal support services through a home care program in Ontario, Canada. The nurse-led intervention is a multi-faceted 6-month program led by a Registered Nurse that involves regular home visits, monthly case conferences, and evidence-based assessment and management of depression using an interprofessional approach. The primary outcome is the change in severity of depressive symptoms from baseline to 6 months using the Centre for Epidemiological Studies in Depression Scale. Secondary outcomes include changes in the prevalence of depressive symptoms and anxiety, health-related quality of life, cognitive function, and the rate and appropriateness of depression treatment from baseline to 12 months. Changes in the costs of use of health services will be assessed from a societal perspective. Descriptive and qualitative data will be collected to examine the feasibility and acceptability of the intervention and identify barriers and facilitators to implementation.
Discussion
Data collection began in May 2010 and is expected to be completed by July 2012. A collaborative nurse-led strategy may provide a feasible, acceptable and effective means for improving the health of older home care clients by improving the prevention, recognition, and management of depression in this vulnerable population. The challenges involved in designing a practical, transferable and sustainable nurse-led intervention in home care are also discussed.
Trial Registration
ClinicalTrials.gov:
NCT0140792
Can we improve outcome of congenital diaphragmatic hernia?
This review gives an overview of the disease spectrum of congenital diaphragmatic hernia (CDH). Etiological factors, prenatal predictors of survival, new treatment strategies and long-term morbidity are described. Early recognition of problems and improvement of treatment strategies in CDH patients may increase survival and prevent secondary morbidity. Multidisciplinary healthcare is necessary to improve healthcare for CDH patients. Absence of international therapy guidelines, lack of evidence of many therapeutic modalities and the relative low number of CDH patients calls for cooperation between centers with an expertise in the treatment of CDH patients. The international CDH Euro-Consortium is an example of such a collaborative network, which enhances exchange of knowledge, future research and development of treatment protocols
The Beaker phenomenon and the genomic transformation of northwest Europe
From around 2750 to 2500 bc, Bell Beaker pottery became widespread across western and central Europe, before it disappeared between 2200 and 1800 bc. The forces that propelled its expansion are a matter of long-standing debate, and there is support for both cultural diffusion and migration having a role in this process. Here we present genome-wide data from 400 Neolithic, Copper Age and Bronze Age Europeans, including 226 individuals associated with Beaker-complex artefacts. We detected limited genetic affinity between Beaker-complex-associated individuals from Iberia and central Europe, and thus exclude migration as an important mechanism of spread between these two regions. However, migration had a key role in the further dissemination of the Beaker complex. We document this phenomenon most clearly in Britain, where the spread of the Beaker complex introduced high levels of steppe-related ancestry and was associated with the replacement of approximately 90% of Britainâs gene pool within a few hundred years, continuing the east-to-west expansion that had brought steppe-related ancestry into central and northern Europe over the previous centuries
- âŠ