A critical investigation of the Tanford-Kirkwood scheme by means of Monte Carlo simulations

Monte Carlo simulations are used to assess the adequacy of the Tanford-Kirkwood prescription for electrostatic interactions in macromolecules. Within a continuum dielectric framework, the approach accurately describes salt screening of electrostatic interactions for moderately charged systems consistent with common proteins at physiological conditions. The limitations of the Debye-Huckel theory, which forms the statistical mechanical basis for the Tanford-Kirkwood result, become apparent for highly charged systems. It is shown, both by an analysis of the Debye-Huckel theory and by numerical simulations, that the difference in dielectric permittivity between macromolecule and surrounding solvent does not play a significant role for salt effects if the macromolecule is highly charged. By comparison to experimental data, the continuum dielectric model (combined with either an approximate effective Hamiltonian as in the Tanford-Kirkwood treatment or with exact Monte Carlo simulations) satisfactorily predicts the effects of charge mutation on metal ion binding constants, but only if the macromolecule and solvent are assigned the same or similar permittivities.

Some comments on the F ring-Prometheus-Pandora environment

The system formed by the F ring and two close satellites, Prometheus and Pandora, has been analysed since the time that Voyager visited the planet Saturn. During the ring plane crossing in 1995 the satellites were found in different positions as predicted by the Voyager data. Besides the mutual effects of Prometheus and Pandora, they are also disturbed by a massive F ring. Showalter et al. [Icarus 100 (1992) 394] proposed that, the core of the ring has a mass which corresponds to a moonlet varying in size from 15 to 70 kin in radius which can prevent the ring from spreading due to dissipative forces, such as Poynting-Robertson drag and collisions. We have divided this work into two parts. Firstly we analysed the secular interactions between Prometheus-Pandora and a massive F ring using the secular theory. Our results show the variation in eccentricity and inclination of the satellites and the F ring taking into account a massive ring corresponding to a moonlet of different sizes. There is also a population of dust particles in the ring in the company of moonlets at different sizes [Icarus 109 (1997) 304]. We also analysed the behaviour of these particles under the effects of the Poynting-Robertson drag and radiation pressure. Our results show that the time scale proposed for a dust particle to leave the ring is much shorter than predicted before even in the presence of a coorbital moonlet. This result does not agree with the confinement model proposed by Dermott et al. [Nature 284 (1980) 309]. In 2004, Cassini mission will perform repeated observations of the whole system, including observations of the satellites and the F ring environment. These data will help us to better understand this system. (C) 2003 COSPAR. Published by Elsevier Ltd. All rights reserved.

Gradually truncated log-normal in USA publicly traded firm size distribution

We study the statistical distribution of firm size for USA and Brazilian publicly traded firms through the Zipf plot technique. Sale size is used to measure firm size. The Brazilian firm size distribution is given by a log-normal distribution without any adjustable parameter. However, we also need to consider different parameters of log-normal distribution for the largest firms in the distribution, which are mostly foreign firms. The log-normal distribution has to be gradually truncated after a certain critical value for USA firms. Therefore, the original hypothesis of proportional effect proposed by Gibrat is valid with some modification for very large firms. We also consider the possible mechanisms behind this distribution. (c) 2006 Published by Elsevier B.V.

VSSI (X)over-bar charts with sampling at fixed times

A standard (X) over bar chart for controlling the process mean takes samples of size no at specified, equally-spaced, fixed-time points. This article proposes a modification of the standard (X) over bar chart that allows one to take additional samples, bigger than no, between these fixed times. The additional samples are taken from the process when there is evidence that the process mean moved from target. Following the notation proposed by Reynolds (1996a) and Costs (1997) we shortly call the proposed (X) over bar chart as VSSIFT (X) over bar chart: where VSSIFT means variable sample size and sampling intervals with fixed times. The (X) over bar chart with the VSSIFT feature is easier to be administered than a standard VSSI (X) over bar chart that is not constrained to sample at the specified fixed times. The performances of the charts in detecting process mean shifts are comparable.

Dipole moments in Langmuir monolayers from aromatic carboxylic acids

The three-layer capacitor model proposed by Demchak and Fort [J. Colloid Interface Sci. 46 (1974) 191] is employed to relate measured surface potentials of Langmuir monolayers from a series of polyphenyl carboxylic acids to molecular dipole moments calculated using semiempirical quantum methods. The effective dielectric constant at the air/monolayer interface is 3.0 +/- 0.6, very close to that estimated for aliphatic compounds. Good agreement between theory and experiment is obtained by adopting a dielectric constant of 6.4 for the monolayer/water interface and a contribution from the water reorientation of -0.064 +/- 0.006 D, which shows that the parameters in the DF model are essentially the same as for aliphatic amphiphiles, such as esters, acids, alcohols and ethers. (C) 2000 Elsevier B.V. B.V. All rights reserved.

ANALYSIS OF CURVED EDGE PLATES BY THE BOUNDARY-ELEMENT METHOD

The aim of this work is to present a formulation of the boundary element method to analyse elastic and isotropic plates with curved boundaries. In this study the plate boundary is approximated, along each element, by a second degree polynomial relation or by a circular arch, in order to better represent the real boundary. The numerical integration is performed by the self-adaptive coordinate transformation proposed by Telles. The effective shear forces are approximated by concentrated reactions applied at the boundary element nodes, according to the alternative formulation introduced by Paiva. Some examples are presented to demonstrate the better accuracy obtained with the proposed elements.

Hamiltonian reduction and the construction of q-deformed extensions of the Virasoro algebra

In this paper we employ the construction of the Dirac bracket for the remaining current of sl(2) q deformed Kac-Moody algebra when constraints similar to those connecting the sl(2)-Wess-Zumino-Witten model and the Liouville theory are imposed to show that it satisfies the q-Virasoro algebra proposed by Frenkel and Reshetikhin The crucial assumption considered in our calculation is the existence of a classical Poisson bracket algebra induced in a consistent manner by the correspondence principle, mapping the quantum generators into commuting objects of classical nature preserving their algebra.

VSSI X̄ charts with sampling at fixed times

A standard X̄ chart for controlling the process mean takes samples of size n0 at specified, equally-spaced, fixed-time points. This article proposes a modification of the standard X chart that allows one to take additional samples, bigger than n0, between these fixed times. The additional samples are taken from the process when there is evidence that the process mean moved from target. Following the notation proposed by Reynolds (1996a) and Costa (1997) we shortly call the proposed X chart as VSSIFT X chart where VSSIFT means variable sample size and sampling intervals with fixed times. The X chart with the VSSIFT feature is easier to be administered than a standard VSSI X chart that is not constrained to sample at the specified fixed times. The performances of the charts in detecting process mean shifts are comparable. Copyright © 1998 by Marcel Dekker, Inc.

Técnica alternativa de conformação de junção a partir de tubos metálicos

This work presents a technique for the cold forming of thin-walled cylindrical tubes, aimed at obtaining a symmetrical joint with an unconventional forming technique, using elastomer rod. The purpose of this work is to investigate the influence of the anisotropy on the total forming force, through the use of elastomer for obtaining T-junctions, in order to get a better result between experimental values and the analytical solution. For total forming force forecasting, it will be used the upper-bound theory and for a better understanding on the anisotropy behavior of the material, it will be employed the quadratic yielding criterion proposed by Hill. The employed materials for such investigation were Aluminum, Brass and Copper.

New contributions to the determination of resonance frequencies of rectangular microstrip antennas by neural networks

This paper uses artificial neural networks (ANN) to compute the resonance frequencies of rectangular microstrip antennas (MSA), used in mobile communications. Perceptron Multi-layers (PML) networks were used, with the Quasi-Newton method proposed by Broyden, Fletcher, Goldfarb and Shanno (BFGS). Due to the nature of the problem, two hundred and fifty networks were trained, and the resonance frequency for each test antenna was calculated by statistical methods. The estimate resonance frequencies for six test antennas were compared with others results obtained by deterministic and ANN based empirical models from the literature, and presented a better agreement with the experimental values.

Influence of medium composition in the production of ethanol by Zymomonas mobilis

The production of ethanol using Zymomonas mobilis had been reported to be three to four times larger than with Saccharomyces cereviseae. The influence of pH, temperature and composition of the means of fermentation are parameters that can direct the metabolism for the production of ethanol. The objective of this study was to evaluate the production of ethanol by Zymomonas mobilis CCT 4494, by variations of the initial pH, temperature and concentrations KCl, K 2SO4, MgSO4, CaCl2 and sucrose, by a factorial experimental design of type 27-2, according to the model proposed by Box et al. (1978). For this, the broth of sugar cane was used as sole carbon source, because it is cheap and easily accessible in the region of São José do Rio Preto, São Paulo State. According to the experimental design, the bacteria Zymomonas mobilis CCT 4494 has adapted in the fermentation mean containing high concentrations of sucrose, and supported the change of pH and temperature of fermentation. The highest amount of ethanol produced was 8.89 mg mL-1. This is not similar to the levels of secondary metabolites produced by Zymomonas mobilis CCT 4494.

O processo de (re)construção da teoria do conceito no domínio de Organização do Conhecimento: Uma visão dialógica

The search for a dialogical interpretation on the concept theory is the purpose of this paper. It uses the concept of dialogism, proposed by Bakhtin, which refers to the interaction occurring among the social actors in the process of (re)construction of language. Starting from the analysis of texts on concept theory authored by Dahlberg, Hjorland, Tennis and Tennis and Sutton, the convergent, divergent and complementary aspects related to the concepts advocated by the authors are discussed. The analysis revealed that, although these concepts have been built individually, they are reflections of distinct currents of thought and of the historical moments that have influenced each author's ideas. It can be argued, therefore, that the studied concepts were developed on dialogue with other authors and among themselves.

Brazilian catfish parasitized by Epistylis sp. (Ciliophora, Epistylididae), with description of parasite intensity score

The determination of mean intensity of parasitism for colony-forming sessile protozoan such as Epistylis has been a great problem in parasitological studies. Some alternatives have been proposed by researchers for laboratory and field conditions. This study describes the criteria to establish the parasitic intensity score for epistylidid infestation in fish. Parasite distribution and the host-parasite relationship in four species of Brazilian cultured catfish and their hybrids are discussed. The highest prevalence rates were found in the hybrid jundiara, Leiarius marmoratus male × Pseudoplatystoma reticulatum female (96.4 %), followed by jurupoca, Hemisorubim platyrhynchos (60 %), and the hybrid surubim, Pseudoplatystoma corruscans male × P. reticulatum female (52.7 %). Positive correlation between parasitic intensity score and the fish size, weight, and relative condition factor were also observed. These findings indicate that Epistylis infestation in Brazilian catfish is an emerging disease in cultured fish. © 2012 Springer-Verlag.

The Evidence of the Rugoscopy Effectiveness as a Human Identification Method in Patients Submitted to Rapid Palatal Expansion

The objective of this study was to demonstrate the effectiveness of rugoscopy as a human identification method, even when the patient is submitted to rapid palatal expansion, which in theory would introduce doubt. With this intent, the Rugoscopic Identity was obtained for each subject using the classification formula proposed by Santos based on the intra-oral casts made before and after treatment from patients who were subjected to palatal expansion. The casts were labeled with the patients' initials and randomly arranged for studying. The palatine rugae kept the same patterns in every case studied. The technical error of the intra-evaluator measurement provided a confidence interval of 95%, making rugoscopy a reliable identification method for patients who were submitted to rapid palatal expansion, because even in the presence of intra-oral changes owing to the use of palatal expanders, the palatine rugae retained the biological and technical requirements for the human identification process. © 2012 American Academy of Forensic Sciences.

Chameleons on the racetrack

We modify the ansatz for embedding chameleon scalars in string theory proposed in [1] by considering a racetrack superpotential with two KKLT-type exponentials e ia instead of one. This satisfies all experimental constraints, while also allowing for the chameleon to be light enough on cosmological scales to be phenomenologically interesting. © 2013 SISSA, Trieste, Italy.