Structure and energetics of ammonia clusters (NH3)n (n=3-20) investigated using a rigid-polarizable model derived from ab initio calculations

An analytical model has been developed to describe the interaction between rigid ammonia molecules including the explicit description of induction. The parameters of the model potential were chosen by fitting high quality ab initio data obtained using second-order Moller-Plesset (MP2) perturbation theory and extended basis sets. The description of polarization effects is introduced by using a noniterative form of the "charge on spring model", the latter accounting for more than 95% of the dipole induction energy and of the increased molecular dipole. Putative global minima for (NH3)(n) (n = 3-20) have been optimized using this new model, the structure and energetics of the clusters with n = 3-5 being found in good agreement with previous ab initio results including electronic correlation. Results for larger species have been compared with previous structural studies where only nonpolarizable models were employed. Our model predicts larger binding energies for any cluster size than previous analytical surfaces, the results often suggesting a reorganization of the relative energy ranking and a different structure for the global minimum

Enterocolite Induzida por Proteínas Alimentares: Uma Etiologia Rara

Introdução: A enterocolite induzida por proteínas alimentares (EIPA) é uma forma de hipersensibilidade gastrointestinal alimentar não mediada por imunoglobulina E, sendo provavelmente mediada por células. A fisiopatologia permanece incerta. O leite de vaca e os cereais estão entre as causas mais comuns. O diagnóstico baseia-se na história clínica. Descrição do caso: Descreve-se um caso raro de enterocolite à batata numa criança com antecedentes pessoais e familiares irrelevantes. O doente recusou várias vezes a introdução da primeira sopa (cenoura e batata) e sempre que a ingeria apresentava quadro de vómitos incoercíveis com desidratação, mas sem necessidade de internamento. Os testes cutâneos por picada com extrato de batata foram negativos e a prova de provocação oral foi positiva. Comentários: Neste contexto salienta-se a importância de reconhecer o quadro clínico de EIPA e estar alerta para a possibilidade de envolvimento de proteínas alimentares menos frequentes com o objetivo de fazer um diagnóstico precoce e evitar terapêuticas desadequadasinfo:eu-repo/semantics/publishedVersio

Thermodynamic properties of ammonia clusters (NH(3))(n) n=2-11: Comparing classical and quantum simulation results for hydrogen bonded species

Classical and quantum simulations of ammonia clusters in the dimer through the hendecamer range are performed using the stereographic projection path integral. Employing the most recent polarizable potential to describe intermolecular interactions, energetic and structural data obtained with our simulations provide support for a more fluxional or flexible nature at low temperature of the ammonia dimer, pentamer, and hexamer than in the other investigated species. The octamer and the hendecamer display a relatively strong melting peak in the classical heat capacity and a less intense but significant melting peak in the quantum heat capacity. The latter are shifted to lower temperature (roughly 15 and 40 K lower, respectively) by the quantum effects. The features present in both classical and quantum constant volume heat capacity are interpreted as an indication of melting even in the octamer case, where a large energy gap is present between its global minimum and second most stable species. We develop a first order finite difference algorithm to integrate the geodesic equations in the inertia ellipsoid generated by n rigid nonlinear bodies mapped with stereographic projections. We use the technique to optimize configurations and to explore the potential surface of the hendecamer

Understanding oral mucositis: a pilot study

info:eu-repo/semantics/acceptedVersio

Nutritional assessment of patients with mucopolysaccharidosis: a cross-sectional portuguese study

info:eu-repo/semantics/publishedVersio

Guillain-Barré Syndrome in Pediatric Age - Management Guidelines

O protocolo de actuação na Síndrome de Guillain-Barré em idade pediátrica foi elaborado com o intuito de rever as mais recentes recomendações internacionais e de traçar linhas orientadoras de actuação. É constituído por duas partes: a primeira é a introdução teórica, resultante da revisão bibliográfica, e a segunda o Protocolo de actuação. Tratando-se de uma patologia para a qual ainda não existe um consenso, sobretudo no que respeita ao tratamento, optou-se por incluir as várias opções de tratamento recomendadas, permitindo a cada Unidade aplicar aquela com a qual possui mais experiência

Cultivating positive ethnic identity in southern California's youth through 4-H day camps

One approach to cultivating positive ethnic identity is aiming to foster pride in cultural heritage through helping youth learn about their ethnic groups' histories and providing opportunities to participate in cultural forms such as music, theater, dance, and other artistic expression. During the summer of 2017, 4-H staff and academics partnered with the Mexican Consulate in San Bernardino, CA and designed and delivered a four-week day camp targeting youth ages five to eleven. The objective of the camp was to provide a space for the youth to explore Mexican history from the pre-Hispanic times through the Independence Era, as well as some customs and traditions of modern Mexico. All the activities were designed following the hands-on 4-H model, where the youth had the opportunity to learn-reflect-apply. Conducted in English and Spanish by community volunteers and college students with the support of 4-H staff, the program included a variety of activities to keep the youth interested and active, as art, games, crafts, movies, and even science activities framed around weekly cultural themes. The program was evaluated and its success was determined by a) community participation/response; b) partners' satisfaction; and c) ability to replicate the program in coming years. This article provides an overview of the program design and implementation, as well as lessons learned.Includes bibliographical reference

Exploration of Large Digital Sky Surveys

We review some of the scientific opportunities and technical challenges posed by the exploration of the large digital sky surveys, in the context of a Virtual Observatory (VO). The VO paradigm will profoundly change the way observational astronomy is done. Clustering analysis techniques can be used to discover samples of rare, unusual, or even previously unknown types of astronomical objects and phenomena. Exploration of the previously poorly probed portions of the observable parameter space are especially promising. We illustrate some of the possible types of studies with examples drawn from DPOSS; much more complex and interesting applications are forthcoming. Development of the new tools needed for an efficient exploration of these vast data sets requires a synergy between astronomy and information sciences, with great potential returns for both fields.Comment: To appear in: Mining the Sky, eds. A. Banday et al., ESO Astrophysics Symposia, Berlin: Springer Verlag, in press (2001). Latex file, 18 pages, 6 encapsulated postscript figures, style files include