AC magnetic heating of superparamagnetic Fe and Co nanoparticles

AC magnetic heating of superparamagnetic Co and Fe nanoparticles for application in hyperthermia was measured to find a size of nanoparticles that would result in an optimal heating for given amplitude and frequency of ac externally applied magnetic field. To measure it, a custom-made power supply connected to a 20-turn insulated copper coil in the shape of a spiral solenoid cooled with water was used. A fiber-optic temperature sensor has been used to measure the temperature with an accuracy of 0.0001 K. The magnetic field with magnitude of 20.6 µT and a frequency of oscillation equal to 348 kHz was generated inside the coil to heat magnetic nanoparticles. The maximum specific power loss or the highest heating rate for Co magnetic nanoparticles was achieved for nanoparticles of 8.2 nm in diameter. The maximum heating rate for coated Fe was found for nanoparticles with diameter of 18.61 nm. © (2013) Trans Tech Publications, Switzerland.

Design of an intravaginal ring for the controlled delivery of 17b-estradiol as its 3-acetate ester

Suitable ester prodrugs of 17b-estradiol are identified, thus permitting effective sustained and controlled estrogen replacement therapy (ERT) from an elastomeric, silicone intravaginal ring (IVR). IVR devices of reservoir design were prepared by blending silicone elastomer base with n-propylorthosilicate (cross-linker) and 10% w/w of 17b-estradiol or an ester prodrug, the mix being activated with 0.5% w/w stannous octoate and cured at 808C for 2 min. A rate-controlling membrane was similarly prepared, without the active agent. IVR devices were of cross-sectional diameter 9 mm, outer diameter 54 mm, with core cross-sectional diameter of 2 mm and core length varied as required. Sink conditions were evident for the 17b-estradiol esters in 1.0% aqueous benzalkonium chloride solution. The low release rates into 0.9% w/v saline of the lipophilic valerate and benzoate esters were due to their intrinsically low aqueous solubilities. In vivo, these esters failed to raise plasma estradiol above baseline levels in postmenopausal human volunteers, despite good in vitro release characteristics under sink conditions. The best release rates under sink conditions, in combination with substantial aqueous solubilities as indicated by the release rates into saline, were observed for the acetate and propionate esters. A
combination of drug release characteristics, short plasma half-life and a toxicologically acceptable hydrolysis product indicated that 17b-estradiol-3-acetate was the prodrug of choice for IVR delivery of ERT. In vivo, an IVR device releasing
100 mg/day of estradiol as its 3-acetate ester maintained over 84 days a circulating plasma concentration in the region of 300 pmol l , within the clinically desirable range for ERT.

Adaptive linear combination of heuristic orderings in constructing examination timetables

In this paper, we investigate adaptive linear combinations of graph coloring heuristics with a heuristic modifier to address the examination timetabling problem. We invoke a normalisation strategy for each parameter in order to generalise the specific problem data. Two graph coloring heuristics were used in this study (largest degree and saturation degree). A score for the difficulty of assigning each examination was obtained from an adaptive linear combination of these two heuristics and examinations in the list were ordered based on this value. The examinations with the score value representing the higher difficulty were chosen for scheduling based on two strategies. We tested for single and multiple heuristics with and without a heuristic modifier with different combinations of weight values for each parameter on the Toronto and ITC2007 benchmark data sets. We observed that the combination of multiple heuristics with a heuristic modifier offers an effective way to obtain good solution quality. Experimental results demonstrate that our approach delivers promising results. We conclude that this adaptive linear combination of heuristics is a highly effective method and simple to implement.

Overcoming the Scalability Challenges of Epidemic Simulations on Blue Waters

Modeling dynamical systems represents an important application class covering a wide range of disciplines including but not limited to biology, chemistry, finance, national security, and health care. Such applications typically involve large-scale, irregular graph processing, which makes them difficult to scale due to the evolutionary nature of their workload, irregular communication and load imbalance. EpiSimdemics is such an application simulating epidemic diffusion in extremely large and realistic social contact networks. It implements a graph-based system that captures dynamics among co-evolving entities. This paper presents an implementation of EpiSimdemics in Charm++ that enables future research by social, biological and computational scientists at unprecedented data and system scales. We present new methods for application-specific processing of graph data and demonstrate the effectiveness of these methods on a Cray XE6, specifically NCSA's Blue Waters system.

Potassium-doped Ni-MgO-ZrO catalysts for dry reforming of methane to synthesis gas

Ni/K-MgO-ZrO catalysts for dry reforming of methane, with a range of Mg/Zr ratios and each containing about 10 wt% Ni, were prepared via Ni nitrate impregnation on MgO-ZrO supports synthesized by co-precipitation using KCO. It was found that a proportion of the potassium of the precipitant remained in the samples and improved the stability of the catalysts in the reaction. It was also shown that reduction of the catalysts at 1,023 K without calcination in air is necessary for stable and high activity; calcination in air at 1,073 K gives a deterioration of the catalytic properties, leading to rapid deactivation during the reaction. The order of the CH conversions of the reduced catalysts after 14 h on stream was as follows: Ni/K-MgZr ~ Ni/K-Mg ≥ Ni/K-MgZr Ni/K-Zr. A catalyst with 0.95 wt% K on MgO-ZrO with a Mg:Zr mole ratio of 5:2 showed the best resistance to deactivation. Experiments in a microbalance system showed that there was only negligible coke deposition on the surface of this sample. This behaviour was attributed to the presence of Ni nanoparticles with a diameter of less than 10 nm located on a MgO/NiO solid solution shell doped by K ions; this in turn covers a core of tetragonal ZrO and/or a MgO/ZrO solid solution. This conclusion was supported by EDS/TEM, XPS, XRD and H chemisorption measurements. © 2013 Springer Science+Business Media New York.

Automated detection and measurement of isolated retinal arterioles by a combination of edge enhancement and cost analysis

Pressure myography studies have played a crucial role in our understanding of vascular physiology and pathophysiology. Such studies depend upon the reliable measurement of changes in the diameter of isolated vessel segments over time. Although several software packages are available to carry out such measurements on small arteries and veins, no such software exists to study smaller vessels (<50 µm in diameter). We provide here a new, freely available open-source algorithm, MyoTracker, to measure and track changes in the diameter of small isolated retinal arterioles. The program has been developed as an ImageJ plug-in and uses a combination of cost analysis and edge enhancement to detect the vessel walls. In tests performed on a dataset of 102 images, automatic measurements were found to be comparable to those of manual ones. The program was also able to track both fast and slow constrictions and dilations during intraluminal pressure changes and following application of several drugs. Variability in automated measurements during analysis of videos and processing times were also investigated and are reported. MyoTracker is a new software to assist during pressure myography experiments on small isolated retinal arterioles. It provides fast and accurate measurements with low levels of noise and works with both individual images and videos. Although the program was developed to work with small arterioles, it is also capable of tracking the walls of other types of microvessels, including venules and capillaries. It also works well with larger arteries, and therefore may provide an alternative to other packages developed for larger vessels when its features are considered advantageous.

Effect of nozzle geometry on the flow characteristics of hydroentangling jets

Cone-capillary nozzles with varying cone angles from 10° to 120° and a capillary diameter of 120μ are experimentally investigated for their application in the hydroentanglement process. Cone-up and cone-down configurations in a range of water pressures of 30-120 bar are tested. The effects of the cone angle on flow parameters such as discharge and velocity coefficients and intact length are studied. Flow visualization techniques are used to recognize the flow regimes and characteristics and to inspect and compare the intact length and appearance of the jets. Cone-down nozzles with more consistent flow properties, lower discharges, and higher velocity coefficients are more suitable for the hydroentanglement process. Single-cone nozzles without capillaries and with varying cone angles are also tested. The flow properties of the jets from the single-cone nozzles are compared with the cone-capillary nozzles of the same cone angle to study the effect of the capillary section. The effect of the interaction of adjacent nozzles on the flow from multi-hole nozzles is studied, and the characteristics of the jets from the multi-hole nozzles are compared with the single-hole nozzles.

Role of ion channels and subcellular Ca2+ signalling in arachidonic acid induced dilation of pressurised retinal arterioles

Purpose: To investigate the mechanisms responsible for the dilatation of rat retinal arterioles in response to arachidonic acid (AA). Methods: Changes in the diameter of isolated, pressurized rat retinal arterioles were measured in the presence of AA alone and following pre-incubation with pharmacological agents inhibiting Ca2+ sparks and oscillations and K+ channels. Subcellular Ca2+ signals were recorded in arteriolar myocytes using Fluo-4-based confocal imaging. The effects of AA on membrane currents of retinal arteriolar myocytes were studied using whole-cell perforated patch clamp recording. Results: AA dilated pressurised retinal arterioles under conditions of myogenic tone. Eicosatetraynoic acid (ETYA) exerted a similar effect, but unlike AA, its effects were rapidly reversible. AA-induced dilation was associated with an inhibition of subcellular Ca2+ signals. Interventions known to block Ca2+ sparks and oscillations in retinal arterioles caused dilatation and inhibited AA-induced vasodilator responses. AA accelerated the rate of inactivation of the A-type Kv current and the voltage dependence of inactivation was shifted to more negative membrane potentials. It also enhanced voltage-activated and spontaneous BK currents, but only at positive membrane potentials. Pharmacological inhibition of A-type Kv and BK currents failed to block AA-induced vasodilator responses. AA suppressed L-type Ca2+ currents. Conclusions: These results suggest that AA induces retinal arteriolar vasodilation by inhibiting subcellular Ca2+ signalling activity in retinal arteriolar myocytes, most likely through a mechanism involving the inhibition of L-type Ca2+ channel activity. AA actions on K+ currents are inconsistent with a model in which K+ channels contribute to the vasodilator effects of AA.

A device to investigate the axial strain dependence of the critical current density in superconductors

We have developed an instrument to study the behavior of the critical current density (J(c)) in superconducting wires and tapes as a function of field (mu(0)H), temperature (T), and axial applied strain (epsilon(a)). The apparatus is an improvement of similar devices that have been successfully used in our institute for over a decade. It encompasses specific advantages such as a simple sample layout, a well defined and homogeneous strain application, the possibility of investigating large compressive strains and the option of simple temperature variation, while improving the main drawback in our previous systems by increasing the investigated sample length by approximately a factor of 10. The increase in length is achieved via a design change from a straight beam section to an initially curved beam, placed perpendicular to the applied field axis in the limited diameter of a high field magnet bore. This article describes in detail the mechanical design of the device and its calibrations. Additionally initial J(c)(epsilon(a)) data, measured at liquid helium temperature, are presented for a bronze processed and for a powder-in-tube Nb3Sn superconducting wire. Comparisons are made with earlier characterizations, indicating consistent behavior of the instrument. The improved voltage resolution, resulting from the increased sample length, enables J(c) determinations at an electric field criterion E-c=10 muV/m, which is substantially lower than a criterion of E-c=100 muV/m which was possible in our previous systems. (C) 2004 American Institute of Physics.

Physical and dynamical characterisation of low ΔV NEA (190491) 2000 FJ10

Aims: We investigated the physical properties and dynamical evolution of near-Earth asteroid (NEA) (190491) 2000 FJ10 in order to assess the suitability of this accessible NEA as a space mission target. Methods: Photometry and colour determination were carried out with the 1.54 m Kuiper Telescope (Mt Bigelow, USA) and the 10 m Southern African Large Telescope (SALT; Sutherland, South Africa) during the object's recent favourable apparition in 2011-12. During the earlier 2008 apparition, a spectrum of the object in the 6000-9000 Angstrom region was obtained with the 4.2 m William Herschel Telescope (WHT; Canary Islands, Spain). Interpretation of the observational results was aided by numerical simulations of 1000 dynamical clones of 2000 FJ10 up to 106 yr in the past and in the future. Results: The asteroid's spectrum and colours determined by our observations suggest a taxonomic classification within the S-complex although other classifications (V, D, E, M, P) cannot be ruled out. On this evidence, it is unlikely to be a primitive, relatively unaltered remnant from the early history of the solar system and thus a low priority target for robotic sample return. Our photometry placed a lower bound of 2 h to the asteroid's rotation period. Its absolute magnitude was estimated to be 21.54 ± 0.1 which, for a typical S-complex albedo, translates into a diameter of 130 ± 20 m. Our dynamical simulations show that it has likely been an Amor for the past 105 yr. Although currently not Earth-crossing, it will likely become so during the period 50-100 kyr in the future. It may have arrived from the inner or central main belt >1 Myr ago as a former member of a low-inclination S-class asteroid family. Its relatively slow rotation and large size make it a suitable destination for a human mission. We show that ballistic Earth-190491-Earth transfer trajectories with ΔV <2 km s-1 at the asteroid exist between 2052 and 2061. Based on observations made with the Southern African Large Telescope (SALT).

The Inferential Complexity of Bayesian and Credal Networks

This paper presents new results on the complexity of graph-theoretical models that represent probabilities (Bayesian networks) and that represent interval and set valued probabilities (credal networks). We define a new class of networks with bounded width, and introduce a new decision problem for Bayesian networks, the maximin a posteriori. We present new links between the Bayesian and credal networks, and present new results both for Bayesian networks (most probable explanation with observations, maximin a posteriori) and for credal networks (bounds on probabilities a posteriori, most probable explanation with and without observations, maximum a posteriori).

Evaluation of La1−xSrxMnO3 (0 ≤ x < 0.4) synthesised via a modified sol–gel method as mediators for magnetic fluid hyperthermia

A range of lanthanum strontium manganates (La1−xSrxMnO3–LSMO) where 0 ≤ x < 0.4 were prepared using a modified peroxide sol–gel synthesis method. The magnetic nanoparticle (MNP) clusters obtained for each of the materials were characterised using scanning electron microscopy (SEM), X-ray powder diffraction (XRD) and infra-red (IR) spectroscopy in order to confirm the crystalline phases, crystallite size and cluster morphology. The magnetic properties of the materials were assessed using the Superconducting quantum interference device (SQUID) to evaluate the magnetic susceptibility, Curie temperature (Tc) and static hysteretic losses. Induction heating experiments also provided an insight into the magnetocaloric effect for each material. The specific absorption rate (SAR) of the materials was evaluated experimentally and via numerical simulations. The magnetic properties and heating data were linked with the crystalline structure to make predictions with respect to the best LSMO composition for mild hyperthermia (41 °C ≤ T ≤ 46 °C). La0.65Sr0.35MnO3, with crystallite diameter of 82.4 nm, (agglomerate size of ∼10 μm), Tc of 89 °C and SAR of 56 W gMn−1 at a concentration 10 mg mL−1 gave the optimal induction heating results (Tmax of 46.7 °C) and was therefore deemed as most suitable for the purposes of mild hyperthermia, vide infra.

Diversity and biology of polychaeta of Diopatra Genus

Os anelídeos poliquetas são elementos importantes em ambientes estuarinos e costeiros, pela sua elevada biodiversidade e abundância e pelo papel que têm nas cadeias tróficas. Algumas espécies são intensivamente exploradas para serem utilizadas como isco na pesca desportiva e profissional, como é o caso de Diopatra neapolitana. Apesar da importância económica, existem poucos estudos sobre a sua biologia e ecologia. No decorrer deste estudo foram identificadas duas outras espécies do género Diopatra em Portugal: D. marocensis, inicialmente descrita para a costa de Marrocos e cuja distribuição actual se sabe estender-se a toda a costa Portuguesa e Norte de Espanha e, D. micrura, espécie nova para a ciência. O presente estudo tem como objectivos principais estudar a diversidade e reprodução do género Diopatra, bem como a capacidade de regeneração da espécie D. neapolitana. Este trabalho aborda a distribuição espacial de D. marocensis ao longo da costa Portuguesa e descreve a espécie D. micrura, uma nova espécie do género Diopatra Audouin and Milne Edwards, 1833. As três espécies coabitam em águas transicionais, onde as espécies D. micrura e D. marocensis facilmente se confundem com juvenis de D. neapolitana. Foi realizada uma comparação morfológica e genética entre as três espécies. A espécie D. neapolitana coexiste em algumas áreas da Ria de Aveiro com a D. marocensis. Apesar destas duas espécies apresentarem padrões reprodutivos muito diferentes, Maio a Agosto é o período principal para a reprodução de ambas as espécies. D. neapolitana apresenta um desenvolvimento larvar planctónico, e os óocitos presentes na cavidade celómica são esverdeados e apresentam um diâmetro de 40-240 μm (média = 164.39±40.79 μm) e as fêmeas contêm no celoma milhares de óocitos. Contrariamente, a espécie D. marocensis reproduz-se por desenvolvimento directo no interior do tubo parental. Os óocitos observados no celoma são amarelos com um diâmetro entre 180 e 740 μm (média = 497.65 ± 31.38 μm) e o seu número varia entre 44 e 624 (276.85 ± 161.54). Por seu turno, o número de ovos observados no interior dos tubos varia entre 75 e 298, com um diâmetro entre 600 e 660 μm, e o número de larvas entre 60 e 194. A proporção machos: fêmeas foi de 1:1 para a população de D. neapolitana e entre 1:2 e 1:4 para a população de D. marocensis, em que as fêmeas dominam a população durante todo o ano. O estudo da capacidade de regeneração da espécie D. neapolitana, avaliada a partir de experiências de laboratório, revelou que esta espécie é capaz de sobreviver à perda de alguns setígeros. Durante a captura de D. neapolitana para vender como isco são normalmente cortados mais de 20 setígeros e de acordo com os nossos resultados a extremidade posterior que fica no tubo não é capaz de regenerar a extremidade anterior; a espécie consegue no entanto recuperar de ataques por predadores.

Politopo de Birkhoff acíclico

Neste trabalho estabelece-se uma interpreta c~ao geom etrica, em termos da teoria dos grafos, para v ertices, arestas e faces de uma qualquer dimens~ao do politopo de Birkho ac clico, Tn = n(T), onde T e uma arvore com n v ertices. Generaliza-se o resultado obtido por G. Dahl, [18], para o c alculo do di^ametro do grafo G( t n), onde t n e o politopo das matrizes tridiagonais duplamente estoc asticas. Adicionalmente, para q = 0; 1; 2; 3 s~ao obtidas f ormulas expl citas para a contagem do n umero de q faces do politopo de Birkho tridiagonal, t n, e e feito o estudo da natureza geom etrica dessas mesmas faces. S~ao, tamb em, apresentados algoritmos para efectuar contagens do n umero de faces de dimens~ao inferior a de uma dada face do politopo de Birkho ac clico.

Synthesis and functionalization of hydroxyapatite nanoparticles

Graças aos desenvolvimentos na área da síntese de nanomaterais e às potentes técnicas de caracterização à nanoescala conseguimos hoje visualizar uma nanopartícula (NP) como um dispositivo de elevado potencial terapêutico. A melhoria da sua efectividade terapêutica requer no entanto o aprofundamento e sistematização de conhecimentos, ainda muito incipientes, sobre toxicidade, selectividade, efeitos colaterais e sua dependência das próprias características físico-químicas da NP em análise. O presente trabalho, elegendo como alvo de estudo uma substância considerada biocompatível e não tóxica, a hidroxiapatite (Hap), pretende dar um contributo para esta área do conhecimento. Definiram-se como metas orientadoras deste trabalho (i) estudar a síntese de nanoparticulas de Hap (Hap NP), e a modificação das características físico-químicas e morfológicas das mesmas através da manipulação das condições de síntese; (ii) estudar a funcionalização das Hap NP com nanoestruturas de ouro e com ácido fólico, para lhes conferir capacidades acrescidas de imagiologia e terapêuticas, particularmente interessantes em aplicações como o tratamento do cancro (iii) estudar a resposta celular a materiais nanométricos, com propriedades físico-químicas diversificadas. No que se refere à síntese de Hap NP, comparam-se dois métodos de síntese química distintos, a precipitação química a temperatura fisiológica (WCS) e a síntese hidrotérmica (HS), em meios aditivados com ião citrato. A síntese WCS originou partículas de tamanho nanométrico, com uma morfologia de agulha, pouco cristalinas e elevada área superficial especifica. A síntese HS à temperatura de 180ºC permitiu obter partículas de dimensões também nanométricas mas com área específica inferior, com morfologia de bastonete prismático com secção recta hexagonal e elevada cristalinidade. Com o objectivo de aprofundar o papel de algumas variáveis experimentais na definição das características finais das partículas de hidroxiapatite, designadamente o papel do ião citrato (Cit), variou-se a razão molar [Cit/Ca] da solução reagente e o tempo de síntese. Demonstrou-se que o ião citrato e outras espécies químicas resultantes da sua decomposição nas condições térmicas (180ºC) de síntese tem um papel preponderante na velocidade de nucleação e de crescimento dessas mesmas partículas e por conseguinte nas características físico-químicas das mesmas. Elevadas razões [Cit/Ca] originam partículas de dimensão micrométrica cuja morfologia é discutida no contexto do crescimento com agregação. Com o objectivo de avaliar a citotoxicidade in vitro das nanopartículas sintetizadas procedeu-se à esterilização das mesmas. O método de esterilização escolhido foi a autoclavagem a 121º C. Avaliou-se o impacto do processo de esterilização nas características das partículas, verificando-se contrariamente às partículas WCS, que as partículas HS não sofrem alterações significativas de morfologia, o que se coaduna com as condições de síntese das mesmas, que são mais severas do que as de esterilização. As partículas WCS sofrem processos de dissolução e recristalização que se reflectem em alterações significativas de morfologia. Este estudo demonstrou que a etapa de esterilização de nanopartículas para aplicações biomédicas, por autoclavagem, pode alterar substancialmente as propriedades das mesmas, sendo pois criticamente importante caracterizar os materiais após esterilização. Os estudos citotoxicológicos para dois tipos de partículas esterilizadas (HSster e WCSster) revelaram que ambas apresentam baixa toxicidade e possuem potencial para a modelação do comportamento de células osteoblásticas. Tendo em vista a funcionalização da superfície das Hap NP para multifunções de diagnóstico e terapia exploraram-se condições experimentais que viabilizassem o acoplamento de nanopartículas de ouro à superfície das nanopartículas de Hidroxiapatite (Hap-AuNP). Tirando partido da presença de grupos carboxílicos adsorvidos na superfície das nanopartículas de Hap foi possível precipitar partículas nanométricas de ouro (1,5 a 2,5 nm) na superfície das mesmas adaptando o método descrito por Turkevich. No presente trabalho as nanopartículas de Hap funcionaram assim como um template redutor do ouro iónico de solução, propiciando localmente, na superfície das próprias nanopartículas de Hap, a sua redução a ouro metálico. A nucleação do ouro é assim contextualizada pelo papel redutor das espécies químicas adsorvidas, designadamente os grupos carboxílicos derivados de grupos citratos que presidiram à síntese das próprias nanopartículas de Hap. Estudou-se também a funcionalização das Hap NP com ácido fólico (FA), uma molécula biologicamente interessante por ser de fácil reconhecimento pelos receptores existentes em células cancerígenas. Os resultados confirmaram a ligação do ácido fólico à superfície das diferentes partículas produzidas HS e Hap-AuNPs. Graças às propriedades ópticas do ouro nanométrico (efeito plasmão) avaliadas por espectroscopia vis-UV e às potencialidades de hipertermia local por conversão fototérmica, as nanoestruturas Hap-AuNPs produzidas apresentam-se com elevado interesse enquanto nanodispositivos capazes de integrar funções de quimio e terapia térmica do cancro e imagiologia. O estudo da resposta celular aos diversos materiais sintetizados no presente trabalho foi alvo de análise na tentativa de se caracterizar a toxicidade dos mesmos bem como avaliar o seu desempenho em aplicações terapêuticas. Demonstrou-se que as Hap NP não afectam a proliferação das células para concentrações até 500 g/ml, observando-se um aumento na expressão genética da BMP-2 e da fosfatase alcalina. Verificou-se também que as Hap NP são susceptíveis de internalização por células osteoblásticas MG63, apresentando uma velocidade de dissolução intracelular relativamente reduzida. A resposta celular às Hap-AuNP confirmou a não citotoxicidade destas partículas e revelou que a presença do ouro na superfície das Hap NP aumenta a taxa proliferação celular, bem como a expressão de parâmetros osteogénicos. No seu conjunto os resultados sugerem que os vários tipos de partículas sintetizadas no presente estudo apresentam também comportamentos interessantes para aplicações em engenharia de tecido ósseo.