Microscopic formulation of the Zimm-Bragg model for the helix-coil transition

A microscopic spin model is proposed for the phenomenological Zimm-Bragg model for the helix-coil transition in biopolymers. This model is shown to provide the same thermophysical properties of the original Zimm-Bragg model and it allows a very convenient framework to compute statistical quantities. Physical origins of this spin model are made transparent by an exact mapping into a one-dimensional Ising model with an external field. However, the dependence on temperature of the reduced external field turns out to differ from the standard one-dimensional Ising model and hence it gives rise to different thermophysical properties, despite the exact mapping connecting them. We discuss how this point has been frequently overlooked in the recent literature.Comment: 11 pages, 2 figure

Physicochemical characterization of a hydrophilic model drug-loaded PHBV microparticles obtained by the double emulsion/solvent evaporation technique

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Características físico-químicas de meis produzidos por espécies de meliponíneos.

Além da abelhas Africanizadas (Apis mellifera L.), as abelhas indígenas sem ferrão ou meliponíneos (Meliponinae) são potenciais produtoras de mel. Esse produto apresenta carcterísticas distintas do mel produzido pelas abelhas do gênero Apis, sendo muito apreciado pelos consumidores. Entretanto, são escassos os dados científicos a respeito da composição desse mel na literatura nacional e internacional. A proposta deste trabalho é avaliar as características físico-químicas do mel produzido por meliponíneos. As análises físico-químico foram realizadas de acordo com as técnicas descritas pela AOAC (Association of Official Analytical Chemists), e pela European Honey Comission, conforme recomendado pela CAC (Codex Alimentarius Comission). Os resultados obtidos reforçam a necessidade do desenvolvimento de um padrão próprio para os méis de abelhas sem ferrão, incluindo critérios microbiológicos.Disponível também em: Cadernos de Agroecologia, V. 5, n.1, 2010

Elasticity of Gaussian and nearly-Gaussian phantom networks

We study the elastic properties of phantom networks of Gaussian and nearly-Gaussian springs. We show that the stress tensor of a Gaussian network coincides with the conductivity tensor of an equivalent resistor network, while its elastic constants vanish. We use a perturbation theory to analyze the elastic behavior of networks of slightly non-Gaussian springs. We show that the elastic constants of phantom percolation networks of nearly-Gaussian springs have a power low dependence on the distance of the system from the percolation threshold, and derive bounds on the exponents.Comment: submitted to Phys. Rev. E, 10 pages, 1 figur

Fluctuations in granular gases

A driven granular material, e.g. a vibrated box full of sand, is a stationary system which may be very far from equilibrium. The standard equilibrium statistical mechanics is therefore inadequate to describe fluctuations in such a system. Here we present numerical and analytical results concerning energy and injected power fluctuations. In the first part we explain how the study of the probability density function (pdf) of the fluctuations of total energy is related to the characterization of velocity correlations. Two different regimes are addressed: the gas driven at the boundaries and the homogeneously driven gas. In a granular gas, due to non-Gaussianity of the velocity pdf or lack of homogeneity in hydrodynamics profiles, even in the absence of velocity correlations, the fluctuations of total energy are non-trivial and may lead to erroneous conclusions about the role of correlations. In the second part of the chapter we take into consideration the fluctuations of injected power in driven granular gas models. Recently, real and numerical experiments have been interpreted as evidence that the fluctuations of power injection seem to satisfy the Gallavotti-Cohen Fluctuation Relation. We will discuss an alternative interpretation of such results which invalidates the Gallavotti-Cohen symmetry. Moreover, starting from the Liouville equation and using techniques from large deviation theory, the general validity of a Fluctuation Relation for power injection in driven granular gases is questioned. Finally a functional is defined using the Lebowitz-Spohn approach for Markov processes applied to the linear inelastic Boltzmann equation relevant to describe the motion of a tracer particle. Such a functional results to be different from injected power and to satisfy a Fluctuation Relation.Comment: 40 pages, 18 figure

Microscopic Analysis For Water Stressed By High Electric Fields In The Prebreakdown Regime

Analysis of the electrical double layer at the electrode-water interface for voltages close to the breakdown point has been carried out based on a static, Monte Carlo approach. It is shown that strong dipole realignment, ion-ion correlation, and finite-size effects can greatly modify the electric fields and local permittivity (hence, leading to optical structure) at the electrode interface. Dramatic enhancements of Schottky injection, providing a source for electronic controlled breakdown, are possible. It is also shown that large pressures associated with the Maxwell stress tensor would be created at the electrode boundaries. Our results depend on the ionic density, and are in keeping with recent observations. A simple, perturbative analysis shows that high field regions with a sharp variation in permittivity can potentially be critical spots for instability initiation. This suggests that the use of polished electrodes, or composite materials, or alternative nonpolar liquids might help enhance high-voltage operation

Schinus molle: anatomy of leaves and stems, chemical composition and insecticidal activities of volatile oil against bed bug (Cimex lectularius)

© 2019 by the authors The investigation of the constituents that were isolated from Turnera diffusa (damiana) for their inhibitory activities against recombinant human monoamine oxidases (MAO-A and MAO-B) in vitro identified acacetin 7-methyl ether as a potent selective inhibitor of MAO-B (IC50 = 198 nM). Acacetin 7-methyl ether (also known as 5-hydroxy-40, 7-dimethoxyflavone) is a naturally occurring flavone that is present in many plants and vegetables. Acacetin 7-methyl ether was four-fold less potent as an inhibitor of MAO-B when compared to acacetin (IC50 = 50 nM). However, acacetin 7-methyl ether was \u3e500-fold selective against MAO-B over MAO-A as compared to only two-fold selectivity shown by acacetin. Even though the IC50 for inhibition of MAO-B by acacetin 7-methyl ether was ~four-fold higher than that of the standard drug deprenyl (i.e., SelegilineTM or ZelaparTM, a selective MAO-B inhibitor), acacetin 7-methyl ether’s selectivity for MAO-B over MAO-A inhibition was greater than that of deprenyl (\u3e500- vs. 450-fold). The binding of acacetin 7-methyl ether to MAO-B was reversible and time-independent, as revealed by enzyme-inhibitor complex equilibrium dialysis assays. The investigation on the enzyme inhibition-kinetics analysis with varying concentrations of acacetin 7-methyl ether and the substrate (kynuramine) suggested a competitive mechanism of inhibition of MAO-B by acacetin 7-methyl ether with Ki value of 45 nM. The docking scores and binding-free energies of acacetin 7-methyl ether to the X-ray crystal structures of MAO-A and MAO-B confirmed the selectivity of binding of this molecule to MAO-B over MAO-A. In addition, molecular dynamics results also revealed that acacetin 7-methyl ether formed a stable and strong complex with MAO-B. The selective inhibition of MAO-B suggests further investigations on acacetin 7-methyl as a potential new drug lead for the treatment of neurodegenerative disorders, including Parkinson’s disease

Thermodynamic formalism for systems with Markov dynamics

The thermodynamic formalism allows one to access the chaotic properties of equilibrium and out-of-equilibrium systems, by deriving those from a dynamical partition function. The definition that has been given for this partition function within the framework of discrete time Markov chains was not suitable for continuous time Markov dynamics. Here we propose another interpretation of the definition that allows us to apply the thermodynamic formalism to continuous time. We also generalize the formalism --a dynamical Gibbs ensemble construction-- to a whole family of observables and their associated large deviation functions. This allows us to make the connection between the thermodynamic formalism and the observable involved in the much-studied fluctuation theorem. We illustrate our approach on various physical systems: random walks, exclusion processes, an Ising model and the contact process. In the latter cases, we identify a signature of the occurrence of dynamical phase transitions. We show that this signature can already be unravelled using the simplest dynamical ensemble one could define, based on the number of configuration changes a system has undergone over an asymptotically large time window.Comment: 64 pages, LaTeX; version accepted for publication in Journal of Statistical Physic

Comparative morpho-anatomical study of Baccharis curitybensis Heering ex Malme and Baccharis spicata (Lam.) Baill.

The genus Baccharis L. belongs to Asteraceae and comprises several medicinal species. Both Baccharis spicata (Lam.) Baill. and Baccharis curitybensis Heering ex Malme are traditionally known as "vassoura" (broom) in Brazil. The species B. spicata has antibacterial, antioxidant and trypanocidal activities. Despite of B. curitybensis shows an external morphology quite similar to B. spicata, no chemical and pharmacological study is available about B. curitybensis. Therefore some confusion and/or problems can occur during popular use. In order to differentiate these taxa, the morpho-anatomy of their leaves and stems were investigated according to the usual light and scanning electron microtechniques. The species B. curitybensis reveals smooth and revolute margin, alternate leaf arrangement and non-capitate uniseriate glandular trichomes. Otherwise, dentate and flat margin, opposite leaf arrangement and uniseriate flagelliform non-glandular trichomes are observed in B. spicata. Morphological and anatomical data can be useful for differentiating B. curitybensis and B. spicata.Colegio de Farmacéuticos de la Provincia de Buenos Aire