Shock Hugoniot calculations of polymers using quantum mechanics and molecular dynamics.

Using quantum mechanics (QM) and classical force-field based molecular dynamics (FF), we have calculated the principle shock Hugoniot curves for numerous amorphous polymers including poly[methyl methacrylate] (PMMA), poly[styrene], polycarbonate, as well as both the amorphous and crystalline forms of poly[ethylene]. In the FF calculations, we considered a non-reactive force field (i.e.

Effects of leukotriene C4 on the bioelectric properties and ion transport of equine tracheal epithelium.

Objective: To determine effects of leukotriene (LT) C(4) on ion transport across equine tracheal epithelium. Sample-Tracheal epithelium from cadavers of 24 horses considered free of respiratory tract disease.

Procedures: Mucosae were mounted into Ussing chambers, and short-circuit current (I(sc)) was monitored over time.

scAAV-mediated gene transfer of interleukin-1-receptor antagonist to synovium and articular cartilage in large mammalian joints.

With the long-term goal of developing a gene-based treatment for osteoarthritis (OA), we performed studies to evaluate the equine joint as a model for adeno-associated virus (AAV)-mediated gene transfer to large, weight-bearing human joints. A self-complementary AAV2 vector containing the coding regions for human interleukin-1-receptor antagonist (hIL-1Ra) or green fluorescent protein was packaged in AAV capsid serotypes 1, 2, 5, 8 and 9. Following infection of human and equine synovial fibroblasts in culture, we found that both were only receptive to transduction with AAV1, 2 and 5.

Nucleolar trafficking of the mouse mammary tumor virus gag protein induced by interaction with ribosomal protein L9.

The mouse mammary tumor virus (MMTV) Gag protein directs the assembly in the cytoplasm of immature viral capsids, which subsequently bud from the plasma membranes of infected cells. MMTV Gag localizes to discrete cytoplasmic foci in mouse mammary epithelial cells, consistent with the formation of cytosolic capsids. Unexpectedly, we also observed an accumulation of Gag in the nucleoli of infected cells derived from mammary gland tumors.

Nuclear spin Hall and Klein tunneling effects during oxidation with electric and magnetic field inductions in graphene.

The recent observation of the explosive oxidation of graphene with enhancement for decreasing temperature and the requirements for synchronizing oxidants for collective oxidation-reduction (redox) reactions presented a chemical scenario for the thermal harvesting by the magnetic spin Hall Effect. More experimental data are presented to demonstrate such spin Hall Effect by determining the influence of spins of so-called spectator fermionic cations. Furthermore, the so-called spectator bosonic cations are discovered to cause a Klein tunneling effect during the redox reaction of graphene.

Monitoring bacterial burden, inflammation and bone damage longitudinally using optical and μCT imaging in an orthopaedic implant infection in mice.

Background: Recent advances in non-invasive optical, radiographic and μCT imaging provide an opportunity to monitor biological processes longitudinally in an anatomical context. One particularly relevant application for combining these modalities is to study orthopaedic implant infections. These infections are characterized by the formation of persistent bacterial biofilms on the implanted materials, causing inflammation, periprosthetic osteolysis, osteomyelitis, and bone damage, resulting in implant loosening and failure.

HIV testing in black Africans living in England.

We examined the uptake of HIV testing in black Africans living in England before the introduction of national testing guidelines. Analyses were conducted using data from an anonymous self-completed questionnaire linked to oral fluid samples to establish HIV status in black Africans attending community venues in England in 2004. Of 946 participants, 44% had ever been tested for HIV and 29% had been tested in the previous 24 months.

Free-energy based pair-additive potentials for bulk Ni-Al systems: application to study Ni-Al reactive alloying.

We present new numerical pair-additive Al, Ni, and Al-Ni potentials by force-matching (FM) ionic force and virial data from single (bulk liquid) phase ab initio molecular dynamics (MD) simulations using the Born-Oppenheimer method. The potentials are represented by piece-wise functions (splines) and, therefore, are not constrained to a particular choice of analytical functional form. The FM method with virial constraint naturally yields a potential which maps out the ionic free-energy surface of the reference ensemble.

Ruminant-produced trans-fatty acids raise plasma HDL particle concentrations in intact and ovariectomized female Hartley guinea pigs.

Cardiovascular disease (CVD) is the leading cause of death among women worldwide, and risk for developing CVD increases postmenopause. Consumption of trans-fatty acids (tFA) has been positively associated with CVD incidence and mortality. The current study was designed to assess the effects of diets high in industrially produced (IP)-tFA, from partially hydrogenated vegetable oils (PHVO), and ruminant-produced (RP)-tFA, from butter oil (BO), on risk factors for CVD.

A new method to assign country of HIV infection among heterosexuals born abroad and diagnosed with HIV.

Objective: To apply a new method to ascertain likely place of HIV infection among persons born abroad and diagnosed with HIV in the United Kingdom (UK).

Design: Analyses of heterosexual adults born abroad, diagnosed with HIV in the UK between 2004 and 2010, and reported to the national HIV diagnoses database.

Methods: Year of infection was ascertained by applying an estimated rate of CD4 cell count decline between an individual's CD4 cell count at diagnosis and estimates of CD4-cell count at infection.

Genome sequencing and mapping reveal loss of heterozygosity as a mechanism for rapid adaptation in the vegetable pathogen Phytophthora capsici.

The oomycete vegetable pathogen Phytophthora capsici has shown remarkable adaptation to fungicides and new hosts. Like other members of this destructive genus, P. capsici has an explosive epidemiology, rapidly producing massive numbers of asexual spores on infected hosts.

Mechanism of densification in silica glass under pressure as revealed by a bottom-up pairwise effective interaction model.

A new short-range pairwise numerical potential for silica is presented. The potential is derived from a single ab initio molecular dynamics (AIMD) simulation of molten silica using the force-matching method with the forces being represented numerically by piecewise functions (splines). The AIMD simulation is performed using the Born-Oppenheimer method with the generalized gradient approximation (BLYP) for the XC energy functional.

Dairy components and risk factors for cardiometabolic syndrome: recent evidence and opportunities for future research.

Cardiometabolic syndrome (CMS), a cluster of metabolic abnormalities that increases the risk of cardiovascular disease (CVD) and type 2 diabetes, affects over one-third of American adults and accounts for billions of dollars in health care costs annually. Current evidence indicates an inverse association between consumption of dairy foods and risk of CMS and its related disease outcomes. Although the specific mechanism(s) underlying the beneficial effects of dairy consumption on the development of CMS, CVD, and type 2 diabetes have not been fully elucidated, there is evidence that specific components within dairy such as milkfat, vitamin D, calcium, magnesium, potassium, and whey proteins may be individually or collectively involved.

Safe travels? HIV transmission among Britons travelling abroad.

Objectives: The aim of the study was to identify and describe the characteristics of persons born in the UK who acquire HIV infection abroad.

Methods: Analyses using case reports and follow-up data from the national HIV database held at the Health Protection Agency were performed.

Results: Fifteen per cent (2066 of 13 891) of UK-born adults diagnosed in England, Wales and Northern Ireland between 2002 and 2010 acquired HIV infection abroad.

Therapeutic aerosol bioengineering of targeted, inhalable microparticle formulations to treat Mycobacterium tuberculosis (MTb).

Therapeutic aerosol bioengineering (TAB) of Mycobacterium tuberculosis (MTb) therapies using inhalable microparticles offers a unique opportunity to target drugs to the site of infection in the alveolar macrophages, thereby increasing dosing in the lungs and limiting systemic exposure to often toxic drugs. Previous work by us used sophisticated, high content analysis to design the optimal poly(lactide-co-glycolic) acid (PLGA) microparticle for delivery of drugs to alveolar macrophages. Herein, we applied this technology to three different anti-MTb drugs.

Obstructive fibrinous tracheal pseudomembrane.

We present 2 patients who had upper airway obstruction develop secondary to a fibrinous tracheal pseudomembrane after short-term endotracheal intubations. Early recognition and removal of the pseudomembrane resulted in complete resolution of symptoms. We discuss the characteristic presentation of symptoms, diagnosis, and management.

Invasive pneumococcal disease among HIV-positive individuals, 2000-2009.

Objectives: To examine invasive pneumococcal disease (IPD) incidence, the impact of the 7-valent pneumococcal conjugate vaccines (PCV7s) programme on the distribution of Streptococcus pneumoniae serotypes and risk factors for IPD among HIV-positive adults.

Methods: We analysed adults (aged ≥15 years) reported to the HIV and IPD national datasets in England and Wales (2000-2009). Through data-linkage, changes in IPD incidence and serotype distribution were examined.

A molecular dynamics study of 1,1-diamino-2,2-dinitroethylene (FOX-7) crystal using a symmetry adapted perturbation theory-based intermolecular force field.

A dimer potential energy function for 1,1-diamino-2,2-dinitroethylene (FOX-7) has been developed using symmetry adapted perturbation theory based on a Kohn-Sham density functional theory description of the monomers [SAPT(DFT)]. Interaction energies of 1008 dimer configurations were computed in an augmented double zeta basis set and fitted to an atom-atom intermolecular potential energy function of Coulomb plus Buckingham exp-6 form. The potential was used in isothermal-isostress molecular dynamics simulations to study the structure and thermal/pressure response of FOX-7 crystal.

Loss to follow-up among adults attending human immunodeficiency virus services in England, Wales, and Northern Ireland.

Aim: To assess the extent to which human immunodeficiency virus (HIV)-diagnosed adults attending HIV-services in England, Wales, and Northern Ireland are lost to follow-up or attend services intermittently.

Methods: A cohort of HIV-diagnosed adults was created by linking records across the 1998 to 2007 national annual Survey of Prevalent HIV Infections Diagnosed. The records were also linked to the national HIV and acquired immune deficiency syndrome New Diagnoses Database (n = 61,495) and to Office for National Statistics death records.

Fibrogenic and redox-related but not proinflammatory genes are upregulated in Lewis rat model of chronic silicosis.

Silicosis, a fibrotic granulomatous lung disease, may occur through accidental high-dose or occupational inhalation of silica, leading to acute/accelerated and chronic silicosis, respectively. While chronic silicosis has a long asymptomatic latency, lung inflammation and apoptosis are hallmarks of acute silicosis. In animal models, histiocytic granulomas develop within days after high-dose intratracheal (IT) silica instillation.

An evaluation of a critical care course for undergraduate nursing students.

Aim: The aim of this paper was to evaluate a 2-day critical care course (CCC) delivered to a cohort of adult branch nursing students.

Background: In today's health care system there is an increase in the number of critically ill patients being cared for in a ward environment. As a result, nurses require the knowledge and skills to effectively manage this patient group.

Particle-based multiscale coarse graining with density-dependent potentials: application to molecular crystals (hexahydro-1,3,5-trinitro-s-triazine).

We describe the development of isotropic particle-based coarse-grain models for crystalline hexahydro-1,3,5-trinitro-s-triazine (RDX). The coarse graining employs the recently proposed multiscale coarse-graining (MS-CG) method, which is a particle-based force-matching approach for deriving free-energy effective interaction potentials. Though one-site and four-site coarse-grain (CG) models were parameterized from atomistic simulations of non-ordered (molten and ambient temperature amorphous) systems, the focus of the paper is a detailed study of the one-site model with a brief recourse to the four-site model.

Tuberculosis and HIV co-infection in European Union and European Economic Area countries.

In order to ensure the availability of resources for tuberculosis (TB) and HIV management and control, it is imperative that countries monitor and plan for co-infection in order to identify, treat and prevent TB-HIV co-infection, thereby reducing TB burden and increasing the years of healthy life of people living with HIV. A systematic review was undertaken to determine the burden of TB-HIV infection in the European Union (EU) and European Economic Area (EEA). Data on the burden of HIV infection in TB patients and risk factors for TB-HIV co-infection in the EU/EEA were extracted from studies that collected information in 1996 and later, regardless of the year of initiation of data collection, and a narrative synthesis presented.