A study on Growing of Ice Crystal after Breaking of Super Cooling Condition by Numerical Simulations and MRI Measurements

Numerical simulations and magnetic resonance imaging (MRI) measurements have been carried out for a better understanding of the behavior in ice crystal growing after breaking of super cooling condition in aqueous solutions. The numerical simulations showed that a fast cooling from outside caused ice nucleation from the outer edge and the expansion of bulky ice crystal, on the other hand, a slow cooling showed ice nucleation from inside and expansion of fibrous ice crystal.Temperature measurements and MRI measurements for a phantom test sample with cylindrical double layer structure showed that frisky ice crystals were outbreak throughout the outer layer inducing the temperature increase up to 0 degree after the breaking of super cooling condition and the inner layer stayed as a liquid at the lower temperature, and after that, bulk ice crystals were expanded from the surface of the inner part in outer layer causing the increase of temperature of inner part.Original: Trans. JSRAE, Vol.33, No.3, pp.261-266,(2016), "数値シミュレーションとMRI測定による過冷却解消後の氷結晶の成長に関する考察", https://doi.org/10.11322/tjsrae.16-21NR_O

Las competencias tecnológicas en la enseñanza de la enfermería cardiológica

OBJECTIVE To identify the perception of the coordinators of the Specialization Courses in Cardiovascular Nursing about inserting content from Information and Communication Technology (ICT) and analyze them in relation to the technological competencies and regarding its applicability, relevance and importance in assisting, teaching and management. METHOD Descriptive study with 10 coordinators of the Specialization course in Cardiologic Nursing, who replied to the questionnaire for the development of technological competency adapted from the Technology Initiative Guidelines Education Reforms (TIGER), and analyzed using the Delphi technique for obtaining consensus and scored according to the relevance, pertinence and applicability using Likert scale according to degree of agreement. RESULTS Six courses developed ICT content. The contents of the TIGER were considered relevant, pertinent and applicable. CONCLUSION The coordinators recognize the need for technological competencies of the Cardiovascular Nurse for healthcare applicability.OBJETIVO Identificar a percepção dos coordenadores dos Cursos de Especialização em Enfermagem Cardiológica sobre a inserção de conteúdos de Tecnologia de Informação e Comunicação (TIC) e analisá-los relacionando-os às competências tecnológicas e quanto à sua aplicabilidade, pertinência e relevância na assistência, ensino e gestão. MÉTODO Estudo descritivo com 10 coordenadores do curso de Especialização em Enfermagem Cardiológica que responderam ao questionário para o desenvolvimento de competências tecnológicas adaptadas do modelo da Technology Initiative Guidelines Education Reforms (TIGER), e analisados utilizando a técnica de Delphi para obtenção de consenso e pontuados quanto à relevância, pertinência e aplicabilidade utilizando escala tipo Likert conforme grau de concordância. RESULTADOS Seis cursos desenvolviam conteúdos de TIC. Os conteúdos da TIGER foram considerados relevantes, pertinentes e aplicáveis. CONCLUSÃO Os coordenadores reconhecem a necessidade da competência tecnológica do enfermeiro cardiológico visando à aplicabilidade assistencial.OBJETIVO Identificar la percepción de los coordinadores de los Cursos de Especialización en Enfermería Cardiológica sobre la inserción de contenidos de Tecnología de Información y Comunicación (TIC) y analizarlos relacionándolos a las competencias tecnológicas y en cuanto a su aplicabilidad, pertinencia y relevancia en la asistencia, enseñanza y gestión. MÉTODO Estudio descriptivo con 10 coordinadores del curso de Especialización en Enfermería Cardiológica que respondieron al cuestionario para el desarrollo de competencias tecnológicas adaptadas del modelo de la Technology Initiative Guidelines Education Reforms (TIGER), con análisis mediante la técnica de Delphi para la obtención de consenso y puntaje en cuanto a la relevancia, pertinencia y aplicabilidad utilizando escala tipo Likert conforme al grado de concordancia. RESULTADOS Seis cursos desarrollaban contenidos de TIC. Los contenidos de la TIGER fueron considerados relevantes, pertinentes y aplicables. CONCLUSIÓN Los coordinadores reconocen la necesidad de la competencia tecnológica del enfermero cardiológico con vistas a la aplicabilidad asistencial

Formation of Si Nanowires by Direct Electrolytic Reduction of Porous SiO₂ Pellets in Molten CaCl₂

The effects of starting material and catalyst on the morphology of produced Si have been investigated for the direct electrolytic reduction of porous SiO₂ pellets in molten CaCl₂ at 1123 K. The Si nanowires (SiNWs) were produced using amorphous SiO₂ pellets with a tetrapod-like microstructure as the starting material, whereas plate-like Si was obtained from pellets made of spherical fumed SiO₂. The SiNWs showed irregular branching and a wide distribution of diameters as the electrolysis proceeded. On the other hand, elongated SiNWs were formed during the electrolysis of pellets comprised of Au nanoparticles (AuNPs) and tetrapod-like microstructured SiO₂ powder. This suggests that AuNPs work as catalysts for longitudinal nanowire growth in the present electrolytic process

Application of the Systematic Molecular Fragmentation by Annihilation Method to ab Initio NMR Chemical Shift Calculations

NMR is a powerful tool for obtaining information on the structural characterization and dynamics of proteins, and nucleic acids, and their complexes. The complexity of the spectra is such that elucidation through computational simulation is a much desired thing. However, the size of most structures of interest is such that they remain out of reach of accurate quantum chemical techniques. Fragmentation methods have been shown to be a viable means of reducing the cost of ab initio calculations to enable the prediction of molecular properties of large systems to chemical accuracy. We look at the systematic molecular fragmentation by annihilation method for a model peptide system and show that this procedure reproduces the shielding constants of a full calculation at only a fraction of the cost. Discussion of the considerations needed in applying this method is discussed and comparison made with the results of the similar fragment molecular orbital and ONIOM methods.This research was mostly carried out at Shanghai University under a Foreign Expert Grant for R.K.. The computations were undertaken on the NCI National Facility in Canberra, Australia, which is supported by the Australian Commonwealth Government

Calculation of size‐intensive transition moments from the coupled cluster singles and doubles linear response function

Coupled cluster singles and doubles linear response (CCLR) calculations have been carried out for excitation energies and dipole transition strengths for the lowest excitations in LiH, CH+, and C4 and the results compared with the results from a CI‐like approach to equation of motion coupled cluster (EOMCC). The transition strengths are similar in the two approaches for single molecule calculations on small systems. However, the CCLR approach gives size‐intensive dipole transition strengths, while the EOMCC formalism does not. Thus, EOMCC calculations can give unphysically dipole transition strengths, e.g., in EOMCC calculations on a sequence of noninteracting LiH systems we obtained a negative dipole strength for the lowest totally symmetric dipole allowed transition for 19 or more noninteracting LiH systems. The CCLR approach is shown to be a very attractive ‘‘black box’’ approach for the calculation of transition [email protected]

Convergence of defect energetics calculations

Determination of the chemical and spectroscopic natures of defects in materials such as hexagonal boron nitride (h-BN) remains a serious challenge for both experiment and theory. To establish basics needs for reliable calculations, we consider a model defect $V_N N_B$ in h-BN in which a boron-for-nitrogen substitution is accompanied by a nitrogen vacancy, examining its lowest-energy transition, (1)2B1 to (1)2A1. This provides a relatively simple test system as open-shell and charge-transfer effects, that are difficult to model and can dominate defect spectroscopy, are believed to be small. We establish calculation convergence with respect to sample size using both cluster and 2D-periodic models, convergence with respect to numerical issues such as use of plane-wave or Gaussian-basis-set expansions, and convergence with respect to the treatment of electron correlation. The results strongly suggest that poor performance of computational methods for defects of other natures arise through intrinsic methodological shortcomings

Free energies for the coordination of ligands to the magnesium of chlorophyll-a in solvents

Abstract. The coordination of bases to chlorophyll magnesium modifies spectroscopic properties in solution as well as in situ in reaction centres. We evaluate the free energies of complexation of one or two pyridine, 1-propanol, diethyl ether or water solvent molecules at 298 K and at 150 K to rationalize observed phenomena. Various a priori dispersion-corrected density-functional theory calculations are performed as well as 2 nd -order Møller-Plesset calculations, focusing on the effects of dispersion modifying the intermolecular interactions, of dispersion modifying solvation energies, of entropy, and of basis-set superposition error. A process of particular interest is magnesium complexation in ether at low temperature that is often exploited to assign the Q-band visible absorption spectrum of chlorophyll. Recently, we demonstrated that trace water interferes with this process, but the nature of the resulting complex could not be uniquely determined; here it is identified as ether.Chlorophyll-a.H 2 O, consistent with interpretations based on our authoritative 2013 assignment.

Perfil, competencias y dominio digital de los enfermeros del Programa de Perfeccionamiento Profesional

A descriptive exploratory study conducted in the city of São Paulo, which aimed to identify the profile, competencies and digital fluency of nurses in the Professional Improvement Program in handling technology at work. The population, composed by 60 nurses in the program, answered a questionnaire with data about profile, digital fluency and professional competencies. The participants were found to be: 95.0% female, 61.7% between 23 and 25 years old, 75.0% from public schools, 58.3% enrolled in cardiovascular nursing, 98.3% had contact with computing resources during graduation, 100.0% had a computer at home, 86.7% accessed the internet daily, 96.7% used Messenger and 58.3% had an intermediate level of knowledge and skill in computing. Professional competencies required for technology management referred to knowing how to be innovative, creative, and updated to identify and manage software and to use technological resources.Este estudio descriptivo, exploratorio realizado en Sao Paulo, tuvo como objetivo identificar el perfil, las competencias y el dominio digital del enfermero para el uso de la tecnología en el trabajo. La población fue compuesta por 60 profesionales del Programa de Perfeccionamiento Profesional que respondió a un cuestionario con datos sobre el perfil, el dominio digital y las competencias profesionales. El resultado demostró que 95% de los participantes eran del sexo femenino, 61,7% tenían entre 23 y 25 años, 75% provenían de escuelas públicas, 58,3% estudiaron enfermería cardiovascular; 98,3% tuvo contacto con recursos informáticos en el pregrado; 100% tenía una computadora en casa; 86,7% accedía a internet diariamente; 96,7% utiliza el MSN y 58,3% tenía un nivel intermedio de conocimiento y habilidad en informática. Las competencias profesionales requeridas ante la tecnología se referían al hecho de saber ser innovador, creativo, actualizado, para conocer y gestionar programas, y saber utilizar los recursos tecnológicos.Estudo descritivo, exploratório, realizado na cidade de São Paulo, que objetivou identificar o perfil, as competências e a fluência digital do enfermeiro aprimorando para uso da tecnologia no trabalho. A população composta por 60 aprimorandos do Programa de Aprimoramento Profissional respondeu um questionário com dados sobre o perfil, a fluência digital e as competências profissionais. Verificou-se que 95,0% dos participantes eram do sexo feminino, 61,7% na faixa etária entre 23 a 25 anos, 75,0% graduados em escolas públicas, 58,3% cursando enfermagem cardiovascular, 98,3% teve contato com recursos computacionais na graduação; 100,0% possuía computador em casa; 86,7% acessava a internet diariamente; 96,7% utilizava o Messenger e 58,3% apresentava grau intermediário de conhecimento e habilidade em informática. As competências profissionais requeridas frente à tecnologia referiram-se ao saber ser inovador, criativo, atualizado para conhecer e gerenciar programas e saber utilizar os recursos tecnológicos

PROFILE AND IDENTIFICATION OF NURSING DIAGNOSES OF NEWBORNS WITH CONGENITAL HEART DISEASE

OBJETIVO: Caracterizar o perfil e os diagnósticos de enfermagem do neonato com cardiopatia congênita. MÉTODO: Trata-se de um estudo descritivo, exploratório e retrospectivo. Foram analisados 46 prontuários de neonatos internados no período de novembro de 2000 a dezembro de 2008. RESULTADOS: a maioria era do sexo masculino (61%), com idade média de 15,5dias,as patologias mais prevalentes foram Comunicação interatrial (48%), Persistência do Canal Arterial (33%) e Comunicação interventricular (30%). Os diagnósticos de enfermagem prevalentes foram: risco para diminuição do débito cardíaco (91,3%) e insaturação arterial periférica (80,4%). CONCLUSÃO: conhecer as características do neonato com doença cardíaca congênita favorece a prestação da assistência de enfermagem direcionada pelos diagnósticos de enfermagem.