Entropic Barriers, Frustration and Order: Basic Ingredients in Protein Folding

We solve a model that takes into account entropic barriers, frustration, and the organization of a protein-like molecule. For a chain of size $M$, there is an effective folding transition to an ordered structure. Without frustration, this state is reached in a time that scales as $M^{\lambda}$, with $\lambda\simeq 3$. This scaling is limited by the amount of frustration which leads to the dynamical selectivity of proteins: foldable proteins are limited to $\sim 300$ monomers; and they are stable in {\it one} range of temperatures, independent of size and structure. These predictions explain generic properties of {\it in vivo} proteins.Comment: 4 pages, 4 Figures appended as postscript fil

From Collapse to Freezing in Random Heteropolymers

We consider a two-letter self-avoiding (square) lattice heteropolymer model of N_H (out ofN) attracting sites. At zero temperature, permanent links are formed leading to collapse structures for any fraction rho_H=N_H/N. The average chain size scales as R = N^{1/d}F(rho_H) (d is space dimension). As rho_H --> 0, F(rho_H) ~ rho_H^z with z={1/d-nu}=-1/4 for d=2. Moreover, for 0 < rho_H < 1, entropy approaches zero as N --> infty (being finite for a homopolymer). An abrupt decrease in entropy occurs at the phase boundary between the swollen (R ~ N^nu) and collapsed region. Scaling arguments predict different regimes depending on the ensemble of crosslinks. Some implications to the protein folding problem are discussed.Comment: 4 pages, Revtex, figs upon request. New interpretation and emphasis. Submitted to Europhys.Let

Time delay of light signals in an energy-dependent spacetime metric

In this note we review the problem of time delay of photons propagating in a spacetime with a metric that explicitly depends on the energy of the particles (Gravity-Rainbow approach). We show that corrections due to this approach -- which is closely related to DSR proposal -- produce for small redshifts ($z<<1$) smaller time delays than in the generic Lorentz Invariance Violating case.Comment: 5 pages. This version contains two new references with respect to the published versio

A Study of Archiving Strategies in Multi-Objective PSO for Molecular Docking

Molecular docking is a complex optimization problem aimed at predicting the position of a ligand molecule in the active site of a receptor with the lowest binding energy. This problem can be formulated as a bi-objective optimization problem by minimizing the binding energy and the Root Mean Square Deviation (RMSD) difference in the coordinates of ligands. In this context, the SMPSO multi-objective swarm-intelligence algorithm has shown a remarkable performance. SMPSO is characterized by having an external archive used to store the non-dominated solutions and also as the basis of the leader selection strategy. In this paper, we analyze several SMPSO variants based on different archiving strategies in the scope of a benchmark of molecular docking instances. Our study reveals that the SMPSOhv, which uses an hypervolume contribution based archive, shows the overall best performance.Universidad de Málaga. Campus de Excelencia Internacional Andalucía Tech

Assessing Child Obesity and Physical Activity in a Hard-to-Reach Population in California's Central Valley, 2012-2013.

IntroductionIn California's agricultural Central Valley, the rate of childhood obesity is higher than the national average. Adequate physical activity contributes to obesity prevention and its assessment is useful to evaluate the impact of interventions.MethodsNiños Sanos, Familia Sana (Healthy Children, Healthy Family [NSFS]) uses community-based participatory research to implement an intervention program to reduce childhood obesity among people of Mexican origin in the Central Valley. Anthropometric measurements were conducted on more than 650 children enrolled in NSFS. Physical activity data from a subgroup of children aged 4 to 7 years (n = 134) were collected via a wearable accelerometer.ResultsChildren were classified on the basis of age and sex-adjusted body mass index as healthy weight (57.7%); overweight (19.3%), or obese (23%). Logistic regression showed that moderate to vigorous physical activity (MVPA) was associated with a child's likelihood of having a healthy BMI (odds ratio: 1.03; 95% CI, 1.01-1.05; P = .017).ConclusionNSFS's community-based participatory approach resulted in successful use of a commercial electronic device to measure physical activity quantity and quality in this hard-to-reach population. Promotion of adequate daily MVPA is an appropriate and necessary component of NSFS's childhood obesity prevention strategy

The contribution of red dwarfs and white dwarfs to the halo dark matter

The nature of the several microlensing events observed by the MACHO team towards the LMC still remains controversial. Low-mass substellar objects and stars with masses larger than ~1 M_{sun} have been ruled out as major components of a MACHO galactic halo, while stars of half solar masses are the most probable candidates. In this paper we assess jointly the relative contributions of both red dwarfs and white dwarfs to the mass budget of the galactic halo. In doing so we use a Monte Carlo simulator which incorporates up-to-date evolutionary sequences of both red dwarfs and white dwarfs as well as detailed descriptions of our Galaxy and of the LMC. We explore the complete mass range between 0.08 and 1 M_{sun} as possible microlensing candidates and we compare the synthetic populations obtained with our simulator with the results obtained by the MACHO and EROS experiments. Our results indicate that, despite that the contribution of the red dwarf population increases by a factor of 2 the value of the optical depth obtained when taking into account the white dwarf population alone, it is still insufficient to explain the number of events claimed by the MACHO team. Finally, we find that the contribution to the halo dark matter of the whole population under study is smaller than 10% at the 95% conficence level.Comment: 11 pages, 5 figures; accepted for publication in A&

Monte Carlo simulations of post-common-envelope white dwarf + main sequence binaries: The effects of including recombination energy

Detached WD+MS PCEBs are perhaps the most suitable objects for testing predictions of close-compact binary-star evolution theories, in particular, CE evolution. The population of WD+MS PCEBs has been simulated by several authors in the past and compared with observations. However, most of those predictions did not take the possible contributions to the envelope ejection from additional sources of energy (mostly recombination energy) into account. Here we update existing binary population models of WD+MS PCEBs by assuming that a fraction of the recombination energy available within the envelope contributes to ejecting the envelope. We performed Monte Carlo simulations of 10^7 MS+MS binaries for 9 different models using standard assumptions for the initial primary mass function, binary separations, and initial-mass-ratio distribution and evolved these systems using the publicly available BSE code. Including a fraction of recombination energy leads to a clear prediction of a large number of long orbital period (>~10 days) systems mostly containing high-mass WDs. The fraction of systems with He-core WD primaries increases with the CE efficiency and the existence of very low-mass He WDs is only predicted for high values of the CE efficiency (>~0.5). All models predict on average longer orbital periods for PCEBs containing C/O-core WDs than for PCEBs containing He WDs. This effect increases with increasing values of both efficiencies. Longer periods after the CE phase are also predicted for systems containing more massive secondary stars. The initial-mass-ratio distribution affects the distribution of orbital periods, especially the distribution of secondary star masses. Our simulations, in combination with a large and homogeneous observational sample, can provide constraints on the values of the CE efficiencies, as well as on the initial-mass-ratio distribution for MS+MS binary stars.Comment: 11 pages, 10 figures, accepted for publication in A&

Bogoliubov space of a Bose--Einstein condensate and quantum spacetime fluctuations

In the present work we consider the role that metric fluctuations could have upon the properties of a Bose--Einstein condensate. In particular we consider the Bogoliubov space associated to it and show that there are, at least, two independent ways in which the average size of these metric fluctuations could be, experimentally, determined. Indeed, we prove that the pressure and the speed of sound of the ground state define an expression allowing us to determine the average size of these fluctuations. Afterwards, an interferometric experiment involving Bogoliubov excitations of the condensate and the pressure (or the speed of sound of the ground state) provides a second and independent way in which this average size could be determined, experimentally

Status of carnivores in Biscay (N lberian peninsula)

The first study on the carnivore community of Biscay was published in 1985. The present study, made twelve years later, was carried out to assess the present situation of these mammals. In this work, data collected from 1990 to 1996 by trapping, sighting, and surveying road and other kills, as well as faeces and tracks are reported. Records of 12 species were obtained, of which American mink Mustela vison (Schreber, 1777) is cited for the first time, and the wolf reappears as a non-occasional species. The main trends observed during the last twelve years seem to be related to changes in land use and management of natural resources. The situation has turned favourable for the most opportunistic species, which have become very abundant in some areas, while populations of the most specialist or relictic species show a more restricted distribution. At the same time, the expansion of wolf and European mink, with the appearance of American mink for the first time, reflect a dynamic but very unstable scene. Key words: Carnivores, Population status, Distribution, Conservation, lberian peninsula.The first study on the carnivore community of Biscay was published in 1985. The present study, made twelve years later, was carried out to assess the present situation of these mammals. In this work, data collected from 1990 to 1996 by trapping, sighting, and surveying road and other kills, as well as faeces and tracks are reported. Records of 12 species were obtained, of which American mink Mustela vison (Schreber, 1777) is cited for the first time, and the wolf reappears as a non-occasional species. The main trends observed during the last twelve years seem to be related to changes in land use and management of natural resources. The situation has turned favourable for the most opportunistic species, which have become very abundant in some areas, while populations of the most specialist or relictic species show a more restricted distribution. At the same time, the expansion of wolf and European mink, with the appearance of American mink for the first time, reflect a dynamic but very unstable scene. Key words: Carnivores, Population status, Distribution, Conservation, lberian peninsula.The first study on the carnivore community of Biscay was published in 1985. The present study, made twelve years later, was carried out to assess the present situation of these mammals. In this work, data collected from 1990 to 1996 by trapping, sighting, and surveying road and other kills, as well as faeces and tracks are reported. Records of 12 species were obtained, of which American mink Mustela vison (Schreber, 1777) is cited for the first time, and the wolf reappears as a non-occasional species. The main trends observed during the last twelve years seem to be related to changes in land use and management of natural resources. The situation has turned favourable for the most opportunistic species, which have become very abundant in some areas, while populations of the most specialist or relictic species show a more restricted distribution. At the same time, the expansion of wolf and European mink, with the appearance of American mink for the first time, reflect a dynamic but very unstable scene. Key words: Carnivores, Population status, Distribution, Conservation, lberian peninsula