1,614 research outputs found
Controlled Nanoparticle Formation by Diffusion Limited Coalescence
Polymeric nanoparticles (NPs) have a great application potential in science
and technology. Their functionality strongly depends on their size. We present
a theory for the size of NPs formed by precipitation of polymers into a bad
solvent in the presence of a stabilizing surfactant. The analytical theory is
based upon diffusion-limited coalescence kinetics of the polymers.
Two relevant time scales, a mixing and a coalescence time, are identified and
their ratio is shown to determine the final NP diameter. The size is found to
scale in a universal manner and is predominantly sensitive to the mixing time
and the polymer concentration if the surfactant concentration is sufficiently
high. The model predictions are in good agreement with experimental data. Hence
the theory provides a solid framework for tailoring nanoparticles with a priori
determined size.Comment: 4 pages, 3 figure
Self-consistent field predictions for quenched spherical biocompatible triblock copolymer micelles
We have used the Scheutjens-Fleer self-consistent field (SF-SCF) method to
predict the self-assembly of triblock copolymers with a solvophilic middle
block and sufficiently long solvophobic outer blocks. We model copolymers
consisting of polyethylene oxide (PEO) as solvophilic block and
poly(lactic-co-glycolic) acid (PLGA) or poly({\ko}-caprolactone) (PCL) as
solvophobic block. These copolymers form structurally quenched spherical
micelles provided the solvophilic block is long enough. Predictions are
calibrated on experimental data for micelles composed of PCL-PEO-PCL and
PLGA-PEO-PLGA triblock copolymers prepared via the nanoprecipitation method. We
establish effective interaction parameters that enable us to predict various
micelle properties such as the hydrodynamic size, the aggregation number and
the loading capacity of the micelles for hydrophobic species that are
consistent with experimental finding.Comment: accepted for publication in Soft Matte
Sparse Deterministic Approximation of Bayesian Inverse Problems
We present a parametric deterministic formulation of Bayesian inverse
problems with input parameter from infinite dimensional, separable Banach
spaces. In this formulation, the forward problems are parametric, deterministic
elliptic partial differential equations, and the inverse problem is to
determine the unknown, parametric deterministic coefficients from noisy
observations comprising linear functionals of the solution.
We prove a generalized polynomial chaos representation of the posterior
density with respect to the prior measure, given noisy observational data. We
analyze the sparsity of the posterior density in terms of the summability of
the input data's coefficient sequence. To this end, we estimate the
fluctuations in the prior. We exhibit sufficient conditions on the prior model
in order for approximations of the posterior density to converge at a given
algebraic rate, in terms of the number of unknowns appearing in the
parameteric representation of the prior measure. Similar sparsity and
approximation results are also exhibited for the solution and covariance of the
elliptic partial differential equation under the posterior. These results then
form the basis for efficient uncertainty quantification, in the presence of
data with noise
Computational analysis of anti-HIV-1 antibody neutralization panel data to identify potential functional epitope residues
Advances in single-cell antibody cloning methods have led to the identification of a variety of broadly neutralizing anti–HIV-1 antibodies. We developed a computational tool (Antibody Database) to help identify critical residues on the HIV-1 envelope protein whose natural variation affects antibody activity. Our simplifying assumption was that, for a given antibody, a significant portion of the dispersion of neutralization activity across a panel of HIV-1 strains is due to the amino acid identity or glycosylation state at a small number of specific sites, each acting independently. A model of an antibody’s neutralization IC_(50) was developed in which each site contributes a term to the logarithm of the modeled IC_(50). The analysis program attempts to determine the set of rules that minimizes the sum of the residuals between observed and modeled IC_(50) values. The predictive quality of the identified rules may be assessed in part by whether there is support for rules within individual viral clades. As a test case, we analyzed antibody 8ANC195, an anti-glycoprotein gp120 antibody of unknown specificity. The model for this antibody indicated that several glycosylation sites were critical for neutralization. We evaluated this prediction by measuring neutralization potencies of 8ANC195 against HIV-1 in vitro and in an antibody therapy experiment in humanized mice. These experiments confirmed that 8ANC195 represents a distinct class of glycan-dependent anti–HIV-1 antibody and validated the utility of computational analysis of neutralization panel data
Successful control of a hospital-wide outbreak of OXA-48 producing Enterobacteriaceae in the Netherlands, 2009 to 2011
On 31 May 2011, after notification of Klebsiella pneumoniae(KP)(OXA-48);(CTX-M-15) in two patients, nosocomial transmission was suspected in a Dutch hospital. Hospital-wide infection control measures and an outbreak investigation were initiated. A total of 72,147 patients were categorised into groups based on risk of OXA-48 colonisation or infection, and 7,527 were screened for Enterobacteriaceae(OXA-48) by polymerase chain reaction (PCR). Stored KP isolates (n=408) were retrospectively tested for OXA-48 and CTX-M-1 group extended-spectrum beta-lactamases (ESBL). 285 KP isolates from retrospective and prospective patient screening were genotyped by amplified fragment length polymorphism (AFLP). 41 isolates harbouring different Enterobacteriaceae species were analysed by plasmid multilocus sequence typing (pMLST). No nosocomial transmission of Enterobacteriaceae(OXA-48) was detected after 18 July 2011. Enterobacteriaceae(OXA-48) were found in 118 patients (KP (n=99), Escherichia coli (n=56), >= 1 Enterobacteriaceae(OXA-48) species (n=52)),of whom 21 had clinical infections. 39/41 (95%) of OXA-48 containing plasmids were identical in pMLST. Minimum inhibitory concentrations (MICs) of KPOXA-48 and E. coli(OXA-48) for imipenem and meropenem ranged from = 16 mg/L, and 153/157 (97%) had MIC >0.25mg/L for ertapenem. AFLP identified a cluster of 203 genetically linked isolates (62 KPOXA-48;(CTX-M15); 107 KPCTX-M-15; 34 KPOXA-48). The 'oldest' KPCTX-M-15 and KPOXA-48 clonal types originated from February 2009 and September 2010, respectively. The last presumed outbreak-related KPOXA-48 was detected in April 2012. Uncontrolled transmission of KP (CTX-M-15) evolved into a nosocomial outbreak of KPOXA-48; CTX-M15 with large phenotypical heterogeneity. Although the outbreak was successfully controlled, the contribution of individual containment measures and of the hospital relocating into a new building just before outbreak notification was impossible to quantify
Collaboration between Science and Religious Education teachers in Scottish Secondary schools
The article reports on quantitative research that examines: (1) the current practice in collaboration; and (2) potential for collaboration between Science and Religious Education teachers in a large sample of Scottish secondary schools. The authors adopt and adapt three models (conflict; concordat and consonance) to interrogate the relationship between science and religion (and the perceived relation between these two subjects in schools) (Astley and Francis 2010). The findings indicate that there is evidence of limited collaboration and, in a few cases, a dismissive attitude towards collaboration (conflict and concordat and very weak consonance). There is, however, evidence of a genuine aspiration for greater collaboration among many teachers (moving towards a more robust consonance model). The article concludes by discussing a number of key factors that must be realised for this greater collaboration to be enacted
Non-Equilibrium in Adsorbed Polymer Layers
High molecular weight polymer solutions have a powerful tendency to deposit
adsorbed layers when exposed to even mildly attractive surfaces. The
equilibrium properties of these dense interfacial layers have been extensively
studied theoretically. A large body of experimental evidence, however,
indicates that non-equilibrium effects are dominant whenever monomer-surface
sticking energies are somewhat larger than kT, a common case. Polymer
relaxation kinetics within the layer are then severely retarded, leading to
non-equilibrium layers whose structure and dynamics depend on adsorption
kinetics and layer ageing. Here we review experimental and theoretical work
exploring these non-equilibrium effects, with emphasis on recent developments.
The discussion addresses the structure and dynamics in non-equilibrium polymer
layers adsorbed from dilute polymer solutions and from polymer melts and more
concentrated solutions. Two distinct classes of behaviour arise, depending on
whether physisorption or chemisorption is involved. A given adsorbed chain
belonging to the layer has a certain fraction of its monomers bound to the
surface, f, and the remainder belonging to loops making bulk excursions. A
natural classification scheme for layers adsorbed from solution is the
distribution of single chain f values, P(f), which may hold the key to
quantifying the degree of irreversibility in adsorbed polymer layers. Here we
calculate P(f) for equilibrium layers; we find its form is very different to
the theoretical P(f) for non-equilibrium layers which are predicted to have
infinitely many statistical classes of chain. Experimental measurements of P(f)
are compared to these theoretical predictions.Comment: 29 pages, Submitted to J. Phys.: Condens. Matte
Family systems and mental health issues: A resilience approach
In many cases the consumers of mental health information and support are the families of mental health sufferers. The aim of the project was to understand resilience in people who live with or support a family member with a diagnosed or undiagnosed mental illness. Participants were 15 carers (one male, 14 female). Semi-structured interviews were transcribed and analysed using content analysis. Eight recurring themes emerged which indicated the challenges the carers faced and provided indications of the positive and negative personal, family and social factors that impacted on their lives. These themes were \u27Getting to CLAN WA\u27, \u27Accessing help including CLAN WA\u27, \u27Impact of living with a person who has a mental illness or problematic behaviour\u27, \u27Family and cultural issues\u27, \u27Communication within the family\u27,\u27Coping strategies and evidence of resilience\u27, \u27Social support\u27 and \u27Notion of sacrifice\u27. There is still considerable work to do in supporting people who live with or support a family member in these circumstances. The findings demonstrate that individuals living with adversity can do more than just survive the proces
- …