16 resultados para molecular Coulombic over barrier model

em Deakin Research Online - Australia


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Time-of-flight secondary ion mass spectrometry and principal components analysis were used in real time to monitor the progress of curing reactions on the surface of a diglycidyl ether of bisphenol A (DGEBA) and diglycidyl ether of bisphenol F (DGEBF) epoxy resin blend reacted with the diamine hardener isophorone diamine at different time intervals. Molecular ions in the mass spectra that characterized the curing reactions steps, including blocking, coupling, branching, and crosslinking, were identified. The aliphatic hydrocarbon ions were correlated to the curing reaction rate, and this indicated that coupling and branching occurred much faster than the blocking and crosslinking curing reactions steps. The total conversion of the coupling and branching reaction steps were followed on the basis of changes with time in the relative ion intensity of molecular ions assigned to the DGEBA/DGEBF, aliphatic hydrocarbon, epoxide, and aromatic ring structures. Indicative measures of crosslinking density were monitored through the observation of changes in the ratio of the relative intensities of the aliphatic hydrocarbon and hydroxyl molecular ions over time. The curing reaction conversion was established by the observation of the changes in the relative ion intensity of the molecular ions that were related to the DGEBA/ DGEBF molecules.

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Modeling helps to understand and predict the outcome of complex systems. Inductive modeling methodologies are beneficial for modeling the systems where the uncertainties involved in the system do not permit to obtain an accurate physical model. However inductive models, like artificial neural networks (ANNs), may suffer from a few drawbacks involving over-fitting and the difficulty to easily understand the model itself. This can result in user reluctance to accept the model or even complete rejection of the modeling results. Thus, it becomes highly desirable to make such inductive models more comprehensible and to automatically determine the model complexity to avoid over-fitting. In this paper, we propose a novel type of ANN, a mixed transfer function artificial neural network (MTFANN), which aims to improve the complexity fitting and comprehensibility of the most popular type of ANN (MLP - a Multilayer Perceptron).

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Medical interventions critically determine clinical outcomes. But prediction models either ignore interventions or dilute impact by building a single prediction rule by amalgamating interventions with other features. One rule across all interventions may not capture differential effects. Also, interventions change with time as innovations are made, requiring prediction models to evolve over time. To address these gaps, we propose a prediction framework that explicitly models interventions by extracting a set of latent intervention groups through a Hierarchical Dirichlet Process (HDP) mixture. Data are split in temporal windows and for each window, a separate distribution over the intervention groups is learnt. This ensures that the model evolves with changing interventions. The outcome is modeled as conditional, on both the latent grouping and the patients' condition, through a Bayesian logistic regression. Learning distributions for each time-window result in an over-complex model when interventions do not change in every time-window. We show that by replacing HDP with a dynamic HDP prior, a more compact set of distributions can be learnt. Experiments performed on two hospital datasets demonstrate the superiority of our framework over many existing clinical and traditional prediction frameworks.

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Results are presented from a series of model studies of the transient exchange flow resulting from the steady descent of an impermeable barrier separating initially-quiescent fresh and saline water bodies having density ρ0 and ρ0 + (Δρ)0, respectively. A set of parametric laboratory experiments has been carried out (i) to determine the characteristic features of the time-dependent exchange flow over the barrier crest and (ii) to quantify the temporal increase in the thickness and spatial extent of the brackish water reservoir formed behind the barrier by the outflowing, partly-mixed saline water. The results of the laboratory experiments have been compared with the predictions of a theoretical model adapted from the steady, so-called maximal exchange flow case and good qualitative agreement between theory and experiment has been demonstrated. The comparisons indicate that head losses of between 7% and 3% are applicable to the flow over the ridge crest in the early and late stages, respectively, of the barrier descent phase, with these losses being attributed to mixing processes associated with the counterflowing layers of fresh and saline water in the vicinity of the ridge crest. The experimental data show (and the theoretical model predictions confirm) that (i) the dimensionless time of detection tdet (g′/Hb)1/2 of the brackish water pool fed by the dense outflow increases (at a given distance from the barrier) with increasing values of the descent rate parameter g'Hb/(dhb/dt)2 and (ii) the normalised thickness δ(x,t)/Hb of the pool at a given reference station increases monotonically with increasing values of the modified time (t - tdet)/(Hb/g′) 1/2, with the rate of thickening decreasing with increasing values of the descent rate parameter g'Hb (dhb/dt)2. Here, g′ = (g/ρ0) (Δρ)0 is the modified gravitational acceleration, Hb is the mean depth of the water and dhb/dt denotes the rate of descent of the barrier height hb with elapsed time t after the two water bodies are first brought into contact. © 2004 Kluwer Academic Publishers.

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1. Active engagement with practitioners is a crucial component of model-based decision-making in conservation management; it can assist with data acquisition, improve models and help narrow the 'knowing-doing' gap.
2. We worked with practitioners of one of the worst invasive species in Australia, the cane toad Rhinella marina, to revise a model that estimates the effectiveness of landscape barriers to contain spread. The original model predicted that the invasion could be contained by managing artificial watering points on pastoral properties, but was initially met with scepticism by practitioners, in part due to a lack of engagement during model development.
3. We held a workshop with practitioners and experts in cane toad biology. Using structured decision-making, we elicited concerns about the original model, revised its structure, updated relevant input data, added an economic component and found the most cost-effective location for a barrier across a range of fixed budgets and management scenarios. We then conducted scenario analyses to test the sensitivity of management decisions to model revisions.
4. We found that toad spread could be contained for all of the scenarios tested. Our modelling suggests a barrier could cost $4·5 M (2015 AUD) over 50 years for the most likely landscape scenario. The incorporation of practitioner knowledge into the model was crucial. As well as improving engagement, when we incorporated practitioner concerns (particularly regarding the effects of irrigation and dwellings on toad spread), we found a different location for the optimal barrier compared to a previously published study (Tingley et al. 2013).
5. Synthesis and applications. Through engagement with practitioners, we turned an academic modelling exercise into a decision-support tool that integrated local information, and considered more realistic scenarios and constraints. Active engagement with practitioners led to productive revisions of a model that estimates the effectiveness of a landscape barrier to contain spread of the invasive cane toad R. marina. Benefits also include greater confidence in model predictions, improving our assessment of the cost and feasibility of containing the spread of toads.

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Structural data (X-ray and solution and solid-state 119Sn NMR) show that skew-trapezoidal-bipyramidal diorganotin compounds of 2-quinaldate are invariably monomeric, owing to the steric bulk of the carboxylate ligand. In contrast, most of the analogous compounds of 2-picolinate (2-pic) can increase their coordination number by polymerization or the incorporation of solvent in their coordination sphere in the solid state. The exceptional compound is tBu2Sn(2-pic)2 (3), for which no increase in coordination number is apparent, a result that is correlated with the bulky tert-butyl groups. Thus, judicious choice of tin or ligand substituents can be exploited to dictate coordination number and/or the degree of supramolecular aggregation in the investigated systems.

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Although TCP has emerged as the standard in data communication, the introduction of ATM technology has raised numerous problems regarding the effectiveness of using TCP over A TM networks, especially when video traffic performance is considered. This paper presents a simulation model for transmission performance of video traffic via ATM over TCP/IP. The interactivity between TCP/IP and ATM, generation of MPEG traffic and evaluation of traffic performance are implemented in the model. The design and implementation details of the model are carefully described. The experiments conducted using the model and experimental results are briefly introduced, revealing the capability of our model in simulating network events and in evaluating potential solutions to performance issues.

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Clubroot, caused by Plasmodiophora brassicae, is the most devastating soil-borne disease of vegetable brassicas. It occurs all over the world and is responsible for crop losses of up to 10% every year. In Australia, the disease is being managed effectively with chemicals and cultural practices, but ideally control can be improved in the long term by the introduction of resistant cultivars. The life cycle ofP. brassicae and mode of action of plant resistance has not been fully elucidated because of the technical difficulties of working with an obligate, soil-borne plant pathogen. However, Arabidopsis thaliana, which is a host ofP. brassicae, has great potential as a model system for studying the life cycle, the infection process and development of resistance. We have developed a sand-liquid-culture system for growing Arabidopsis that allows easy observation of all life stages and, most importantly, the primary plasmodial stages within the root hair. The method was first optimised for observations of the lifecycle of the pathogen in a susceptible Arabidopsis ecotype (Col-3) where all stages of the lifecycle have now been observed and characterised. Further screening of Arabidopsis ecotypes for disease resistance has utilised one of the most virulent Australian pathotypes of brassica (ECD number 16/19/31). To date, Arabidopsis ecotype Ta-0 has shown a level of tolerance to the disease even though the roots get infected. It has been reported earlier that resistance toP. brassicae in Arabidopsis is due to one or a small number of genes. To examine changes in gene expression during the early, critical stages of infection, RNA was extracted from the susceptible and resistant ecotypes at two time points, 4 days and 17 days after inoculation. Microarray analysis will be used to investigate genome wide changes in gene expression during infection but also to identify candidate genes that may confer resistance to Australian isolates of the pathogen.

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Wireless sensor networks have attracted a lot of attention recently. In this paper, we develop a channel model based on the elliptical model for multipath components involving randomly placed scatterers in the scattering region with sensors deployed on a field. We verify that in a sensor network, the use of receive diversity techniques improves the performance of the system. Extensive performance analysis of the system is carried out for both single and multiple antennas with the applied receive diversity techniques. Performance analyses based on variations in receiver height, maximum multipath delay and transmit power have been performed considering different numbers of antenna elements present in the receiver array, Our results show that increasing the number of antenna elements for a wireless sensor network does indeed improve the BER rates that can be obtained.

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Mammary gland involution requires co-ordination of milk production, immune responses, apoptosis and remodeling. Initiation and progression of each of these components involves integral control by the mammary gland. Although cell-based culture models and genetically manipulated animals have shed light on these processes, the factors controlling each step in the involution cascade are still poorly understood. The fur seal displays a unique lactation phenotype. During the lactation cycle the mammary gland downregulates milk production and initiates an immune response but fails to initiate the apoptotic phase of involution, allowing the female fur seal to undertake long foraging trips of up to 28 days between suckling bouts. Upon return to shore the female continues feeding her pup following resumption of lactation and milk production. Expression profiling of genes involved in this lactation cycle provides valuable tools for investigation of the factors responsible for the initiation of apoptosis at involution.

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Insufficient penetration of therapeutic agents into tumor tissues results in inadequate drug distribution and lower intracellular concentration of drugs, leading to the increase of drug resistance and resultant failure of cancer treatment. Targeted drug delivery to solid tumors followed by complete drug penetration and durable retention will significantly improve clinical outcomes of cancer therapy. Monoclonal antibodies have been commonly used in clinic for cancer treatment, but their limitation of penetrating into tumor tissues still remains because of their large size. Aptamers, as "chemical antibodies", are 15-20 times smaller than antibodies. To explore whether aptamers are superior to antibodies in terms of tumor penetration, we carried out the first comprehensive study to compare the performance of an EpCAM aptamer with an EpCAM antibody in theranostic applications. Penetration and retention were studied in in vitro three-dimensional tumorspheres, in vivo live animal imaging and mouse colorectal cancer xenograft model. We found that the EpCAM aptamer can not only effectively penetrate into the tumorsphere cores but can also be retained by tumor sphere cells for at least 24 h, while limited tumor penetration by EpCAM antibody was observed after 4 h incubation. As observed from in vivo live animal imaging, EpCAM aptamers displayed a maximum tumor uptake at around 10 min followed by a rapid clearance after 80 min, while the signal of peak uptake and disappearance of antibody appeared at 3 h and 6 h after intravenous injection, respectively. The signal of PEGylated EpCAM aptamers in xenograft tumors was sustained for 26 h, which was 4.3-fold longer than that of the EpCAM antibody. Consistently, there were 1.67-fold and 6.6-fold higher accumulation of PEGylated aptamer in xenograft tumors than that of antibody, at 3 h and 24 h after intravenous administration, respectively. In addition, the aptamer achieved at least a 4-time better tumor penetration in xenograft tumors than that of the antibody at a 200 μm distances from the blood vessels 3 h after intravenous injection. Taken together, these data indicate that aptmers are superior to antibodies in cancer theranostics due to their better tumor penetration, more homogeneous distribution and longer retention in tumor sites. Thus, aptamers are promising agents for targeted tumor therapeutics and molecular imaging.

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 The study demonstrated that peanut allergens were able to adhere and cross a model of the intestinal epithelium. Peanut contact causes a decrease in barrier integrity and mislocalisation of tight junctions. Both allergens are endocytosed by multiple endocytotic mechanisms, which are useful targets for the development of future therapeutics.

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The efficacy of ionic liquids (ILs) as lubricant additives to a model base oil has been probed at the nanoscale and macroscale as a function of IL concentration using the same materials. Silica surfaces lubricated with mixtures of the IL trihexyl(tetradecyl)phosphonium bis(2,4,4-trimethylpentyl)phosphinate and hexadecane are probed using atomic force microscopy (AFM) (nanoscale) and ball-on-disc tribometer (macroscale). At both length scales the pure IL is a much more effective lubricant than hexadecane. At the nanoscale, 2.0 mol% IL (and above) in hexadecane lubricates the silica as well as the pure IL due to the formation of a robust IL boundary layer that separates the sliding surfaces. At the macroscale the lubrication is highly load dependent; at low loads all the mixtures lubricate as effectively as the pure IL, whereas at higher loads rather high concentrations are required to provide IL like lubrication. Wear is also pronounced at high loads, for all cases except the pure IL, and a tribofilm is formed. Together, the nano- and macroscales results reveal that the IL is an effective lubricant additive - it reduces friction - in both the boundary regime at the nanoscale and mixed regime at the macroscale.

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ATP7A is a P-type ATPase essential for cellular copper (Cu) transport and homeostasis. Loss-of-function ATP7A mutations causing systemic Cu deficiency are associated with severe Menkes disease or its milder allelic variant, occipital horn syndrome. We previously identified two rare ATP7A missense mutations (P1386S and T994I) leading to a non-fatal form of motor neuron disorder, X-linked distal hereditary motor neuropathy (dHMNX), without overt signs of systemic Cu deficiency. Recent investigations using a tissue specific Atp7a knock out model have demonstrated that Cu plays an essential role in motor neuron maintenance and function, however the underlying pathogenic mechanisms of ATP7A mutations causing axonal degeneration remain unknown. We have generated an Atp7a conditional knock in mouse model of dHMNX expressing Atp7a(T985I), the orthologue of the human ATP7A(T994I) identified in dHMNX patients. Although a degenerative motor phenotype is not observed, the knock in Atp7a(T985I/Y) mice show altered Cu levels within the peripheral and central nervous systems, an increased diameter of the muscle fibres and altered myogenin and myostatin gene expression. Atp7a(T985I/Y) mice have reduced Atp7a protein levels and recapitulate the defective trafficking and altered post-translational regulatory mechanisms observed in the human ATP7A(T994I) patient fibroblasts. Our model provides a unique opportunity to characterise the molecular phenotype of dHMNX and the time course of cellular events leading to the process of axonal degeneration in this disease.