The Journal of physical chemistry.

Editors: 1896-1932, W. D. Bancroft (with J. E. Trevor, 1896-1909);--1933-51, S. C. Lind;--1952-<53> W. A. Noyes.

The effects of J-gate potential and interfaces on donor exchange coupling in the Kane quantum computer architecture

We calculate the electron exchange coupling for a phosphorus donor pair in silicon perturbed by a J-gate potential and the boundary effects of the silicon host geometry. In addition to the electron-electron exchange interaction we also calculate the contact hyperfine interaction between the donor nucleus and electron as a function of the varying experimental conditions. Donor separation, depth of the P nuclei below the silicon oxide layer and J-gate voltage become decisive factors in determining the strength of both the exchange coupling and hyperfine interaction-both crucial components for qubit operations in the Kane quantum computer. These calculations were performed using an anisotropic effective-mass Hamiltonian approach. The behaviour of the donor exchange coupling as a function of the parameters varied in this work provides relevant information for the experimental design of these devices.

Theoretical interfaces in the acute paediatric context: A psychotherapeutic understanding of the application of infant-directed singing

Psychotherapy literature provides a theoretical understanding of parent-infant attachment. This article will reflect upon the specific need to give thoughtful consideration to those infants admitted to the acute-care setting, such as neonatal and paediatric intensive care units, and the potential for this environment to affect infant development and the parent-infant relationship. Infant-directed singing, as described in this article, is an improvised form of vocal interaction that is specifically informed by an understanding of the musical parameters of pitch, rhythm, phrasing, timbre, register, dynamic, tempo and silence. This article will detail a theoretical understanding of using infant-directed singing to foster parent-infant interaction within the acute care environment. In particular, the potentially sensitive, reciprocal and engaging nature of infant-directed singing, coupled with its ability to promote and support maternal demonstrations of empathy, will be discussed with a view to the psychological and physical development of the hospitalised infant.

O DINHEIRO E O SAGRADO Uma leitura das interfaces de fenômenos culturais, religiosos e econômicos e de seus reflexos existenciais, à luz das Ciências Sociais e da Psicologia Analítica

Esta tese é o resultado de uma pesquisa sobre o uso e a influência do dinheiro no que tange às questões existenciais, no contexto capitalista, ligadas ao trinômio: saúde, amor e espiritualidade. Para isso, foram analisados vários tipos de vínculo, afetivos ou não, existentes nas relações humanas, no âmbito da família, do mercado e do Estado, convergindo para a busca do sagrado que dá sentido e significado existenciais. O eixo teórico se localiza em uma interface entre as Ciências Sociais e a Psicologia Analítica, de Carl Gustav Jung (1875-1961), que expressa em sua obra a necessidade humana de encontrar a realização do ser pela conquista consciente de um estado de integração evolutiva. Esta dimensão integral existe quando é realizada a unificação dos vários aspectos do eu com o inconsciente, expressos teleologicamente no processo de individuação. O resultado da evolução científica e tecnológica, acrescido pela supremacia do mercado, abrange praticamente todas as esferas da vida humana, imprimindo uma importância excessiva ao dinheiro. Por exemplo, até o campo religioso foi invadido pela lógica monetária, que se instalou impondo uma atitude monetarizada nas práticas e ritos religiosos, como ocorre em algumas igrejas neopentecostais. Por sua vez, a supervalorização do dinheiro contribui para um processo que combina dessacralização e exclusão social, bem como para o aumento significativo de doenças em todas as instâncias em que as trocas deixaram de acontecer livremente. Com a interdição das trocas, a vida se esvai, comprometendo a evolução humana nas instâncias físicas, psíquicas, sociais, espirituais, familiares, afetivas ou profissionais. Como os desejos de lucro e de acúmulo impedem as trocas, a conquista da dimensão integral vai ficando sombreada até ser substituída pela anestesia do consumo, no sentido de aliviar, apesar de não eliminar, os sentimentos de angústia pela falta de sentido existencial. Busca-se neste trabalho o entendimento da razão pela qual o ser humano contemporâneo deixou de trocar livremente e passou a acumular, muitas vezes por meio de consumo do supérfluo, ficando à mercê de um mercado que pretende ser hegemônico, colocando inclusive o dinheiro como caminho de cura e salvação. Fizemos um levantamento das possibilidades que podem restar para a concretização de uma readequação do uso do dinheiro a serviço da individuação e da realização existencial.(AU)

Novel cationic polymers for use at biological interfaces

One of the main problems with the use of synthetic polymers as biomaterials is the invasion of micro-organisms causing infection. A study of the properties of polymeric antibacterial agents, in particular polyhexamethylene biguanide, has revealed that the essential components for the design of a novel polymeric antibacterial are a balance between hydrophilicity and hydrophobicity coupled with sites of cationicity. The effect of cation incorporation on the physical properties of hydrogels has been investigated. Hydrogel systems copolymerised with either N-vinyl imidazole or dimethylaminoethyl methacrylate have been characterised in terms of their water binding, mechanical and surface properties. It has been concluded that the incorporation of these monomers does not adversely affect the properties of such hydrogels and that these materials are potential candidates for further development for use in biomedical applications. It has been reported that hydro gels with ionic character may increase the deposition of biological material onto the hydrogel surface when it is in contact with body fluids. An investigation into the deposition characteristics of hydrogels containing the potentially cationic monomers has been carried out, using specific protein adsorption and in vitro spoilation techniques. The results suggest that at low levels of cationicity, the deposition of positively charged proteins is reduced without adversely affecting the uptake of the other proteins. The gross deposition characteristics were found to be comparable to some commercially available contact lens materials. A preliminary investigation into the development of novel antibacterial polymers has been completed and some novel methods of bacterial inhibition discussed. These methods include development of an hydrogel whose potential application is as a catheter coating.

Design and implementation of graphical user interfaces for complex simulations

The development of increasingly powerful computers, which has enabled the use of windowing software, has also opened the way for the computer study, via simulation, of very complex physical systems. In this study, the main issues related to the implementation of interactive simulations of complex systems are identified and discussed. Most existing simulators are closed in the sense that there is no access to the source code and, even if it were available, adaptation to interaction with other systems would require extensive code re-writing. This work aims to increase the flexibility of such software by developing a set of object-oriented simulation classes, which can be extended, by subclassing, at any level, i.e., at the problem domain, presentation or interaction levels. A strategy, which involves the use of an object-oriented framework, concurrent execution of several simulation modules, use of a networked windowing system and the re-use of existing software written in procedural languages, is proposed. A prototype tool which combines these techniques has been implemented and is presented. It allows the on-line definition of the configuration of the physical system and generates the appropriate graphical user interface. Simulation routines have been developed for the chemical recovery cycle of a paper pulp mill. The application, by creation of new classes, of the prototype to the interactive simulation of this physical system is described. Besides providing visual feedback, the resulting graphical user interface greatly simplifies the interaction with this set of simulation modules. This study shows that considerable benefits can be obtained by application of computer science concepts to the engineering domain, by helping domain experts to tailor interactive tools to suit their needs.

Fluctuations and correlations in sandpiles and interfaces with boundary pinning

Interfaces are studied in an inhomogeneous critical state where boundary pinning is compensated with a ramped force. Sandpiles driven off the self-organized critical point provide an example of this ensemble in the Edwards-Wilkinson (EW) model of kinetic roughening. A crossover from quenched to thermal noise violates spatial and temporal translational invariances. The bulk temporal correlation functions have the effective exponents β1D∼0.88±0.03 and β2D∼0.52±0.05, while at the boundaries βb,1D/2D∼0.47±0.05. The bulk β1D is shown to be reproduced in a randomly kicked thermal EW model.

Fluctuations and correlations in sandpiles and interfaces with boundary pinning

Interfaces are studied in an inhomogeneous critical state where boundary pinning is compensated with a ramped force. Sandpiles driven off the self-organized critical point provide an example of this ensemble in the Edwards-Wilkinson (EW) model of kinetic roughening. A crossover from quenched to thermal noise violates spatial and temporal translational invariances. The bulk temporal correlation functions have the effective exponents β1D∼0.88±0.03 and β2D∼0.52±0.05, while at the boundaries βb,1D/2D∼0.47±0.05. The bulk β1D is shown to be reproduced in a randomly kicked thermal EW model.

Trabalho e saúde: análise da relação entre condições de trabalho e motivação no emprego e suas interfaces com a saúde dos profissionais nos hospitais públicos

Health results from the interaction of biological, social, economic, political and cultural factors. Under this perspective, we aim to analyze the relationship among working in public emergency hospitals and the health-sickness of the professionals who work there. We are based in a quantitative and qualitative research, in which 240 health professionals (doctors, nurses, social workers, psychologists, dentists, nutritionists, audiologists, physiotherapists and occupational therapists) answered a survey. All of them recognize the importance of work to guarantee favorable conditions to good health. However, they highlight its physical and mental wear effects on workers like stress, absence of a healthy life-style, high blood pressure, musculoskeletal, gastrointestinal and sleep disorders. It becomes urgent to face this reality, to enhance professionals' health and, consequently, the quality of user’s assistance, since the illness of health workers is strongly correlated with the existing health model in society.

Microscopic Mechanism and Kinetics of Ice Formation at Complex Interfaces: Zooming in on Kaolinite

Most ice in nature forms because of impurities which boost the exceedingly low nucleation rate of pure supercooled water. However, the microscopic details of ice nucleation on these substances remain largely unknown. Here, we have unraveled the molecular mechanism and the kinetics of ice formation on kaolinite, a clay mineral playing a key role in climate science. We find that the formation of ice at strong supercooling in the presence of this clay is about 20 orders of magnitude faster than homogeneous freezing. The critical nucleus is substantially smaller than that found for homogeneous nucleation and, in contrast to the predictions of classical nucleation theory (CNT), it has a strong two-dimensional character. Nonetheless, we show that CNT describes correctly the formation of ice at this complex interface. Kaolinite also promotes the exclusive nucleation of hexagonal ice, as opposed to homogeneous freezing where a mixture of cubic and hexagonal polytypes is observed.

Learning at the Interstices; Locating Practical Philosophies for Understanding Physical/virtual Inter-spaces

Virtual worlds are relatively recent developments, and so it is tempting to believe that they need to be understood through newly developed theories and philosophies. However, humans have long thought about the nature of reality and what it means to be “real.” This paper examines the three persistent philosophical concepts of Metaxis, Liminality and Space that have evolved across more than 2000 years of meditation, contemplation and reflection. Our particular focus here is on the nature of the interface between the virtual and the physical: at the interstices, and how the nature of transactions and transitions across those interfaces may impact upon learning. This may, at first, appear to be an esoteric pursuit, but we ground our arguments in primary and secondary data from research studies in higher education.

Stochastic Modeling of Reversible Biochemical Reaction-Diffusion Systems and High-Resolution Shock-Capturing Methods for Fluid Interfaces

Thesis (Ph.D.)--University of Washington, 2016-08

Dinâmica dos nutrientes na Ria Formosa: efeitos da interacçäo da laguna com as suas interfaces na reciclagem do azoto, fósforo e sílica

Tese de dout. em Ciências do Mar, Instituto de Investigação das Pescas e do Mar, Univ. do Algarve, 1996