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

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&

Monte Carlo simulations of post-common-envelope white dwarf + main sequence binaries: comparison with the SDSS DR7 observed sample

Detached white dwarf + main sequence (WD+MS) systems represent the simplest population of post-common envelope binaries (PCEBs). Since the ensemble properties of this population carries important information about the characteristics of the common-envelope (CE) phase, it deserves close scrutiny. However, most population synthesis studies do not fully take into account the effects of the observational selection biases of the samples used to compare with the theoretical simulations. Here we present the results of a set of detailed Monte Carlo simulations of the population of WD+MS binaries in the Sloan Digital Sky Survey (SDSS) Data Release 7. We used up-to-date stellar evolutionary models, a complete treatment of the Roche lobe overflow episode, and a full implementation of the orbital evolution of the binary systems. Moreover, in our treatment we took into account the selection criteria and all the known observational biases. Our population synthesis study allowed us to make a meaningful comparison with the available observational data. In particular, we examined the CE efficiency, the possible contribution of internal energy, and the initial mass ratio distribution (IMRD) of the binary systems. We found that our simulations correctly reproduce the properties of the observed distribution of WD+MS PCEBs. In particular, we found that once the observational biases are carefully taken into account, the distribution of orbital periods and of masses of the WD and MS stars can be correctly reproduced for several choices of the free parameters and different IMRDs, although models in which a moderate fraction (<=10%) of the internal energy is used to eject the CE and in which a low value of CE efficiency is used (<=0.3) seem to fit better the observational data. We also found that systems with He-core WDs are over-represented in the observed sample, due to selection effects.Comment: 15 pages, 7 figures, accepted for publication in A&

Critical points in a relativistic bosonic gas induced by the quantum structure of spacetime

It is well known that phase transitions arise if the interaction among particles embodies an attractive as well as a repulsive contribution. In this work it will be shown that the breakdown of Lorentz symmetry, characterized through a deformation in the relation dispersion, plus the bosonic statistics predict the emergence of critical points. In other words, in some quantum gravity models the structure of spacetime implies the emergence of critical points even when no interaction among the particle has been considered.Comment: 5 pages, no figure

Postnatal β2 adrenergic treatment improves insulin sensitivity in lambs with IUGR but not persistent defects in pancreatic islets or skeletal muscle

Placental insufficiency causes intrauterine growth restriction (IUGR) and disturbances in glucose homeostasis with associated β adrenergic receptor (ADRβ) desensitization. Our objectives were to measure insulin-sensitive glucose metabolism in neonatal lambs with IUGR and to determine whether daily treatment with ADRβ2 agonist and ADRβ1/β3 antagonists for 1 month normalizes their glucose metabolism. Growth, glucose-stimulated insulin secretion (GSIS) and glucose utilization rates (GURs) were measured in control lambs, IUGR lambs and IUGR lambs treated with adrenergic receptor modifiers: clenbuterol atenolol and SR59230A (IUGR-AR). In IUGR lambs, islet insulin content and GSIS were less than in controls; however, insulin sensitivity and whole-bodyGUR were not different from controls.Of importance, ADRβ2 stimulation with β1/β3 inhibition increases both insulin sensitivity and whole-body glucose utilization in IUGR lambs. In IUGR and IUGR-AR lambs, hindlimb GURs were greater but fractional glucose oxidation rates and ex vivo skeletal muscle glucose oxidation rates were lower than controls. Glucose transporter 4 (GLUT4) was lower in IUGR and IUGR-AR skeletal muscle than in controls but GLUT1 was greater in IUGR-AR. ADRβ2, insulin receptor, glycogen content and citrate synthase activity were similar among groups. In IUGR and IUGR-AR lambs heart rates were greater, which was independent of cardiac ADRβ1 activation. We conclude that targeted ADRβ2 stimulation improved whole-body insulin sensitivity but minimally affected defects in GSIS and skeletal muscle glucose oxidation. We show that risk factors for developing diabetes are independent of postnatal catch-up growth in IUGR lambs as early as 1 month of age and are inherent to the islets and myocytes

Voltage Stability Analysis of Grid-Connected Wind Farms with FACTS: Static and Dynamic Analysis

Recently, analysis of some major blackouts and failures of power system shows that voltage instability problem has been one of the main reasons of these disturbances and networks collapse. In this paper, a systematic approach to voltage stability analysis using various techniques for the IEEE 14-bus case study, is presented. Static analysis is used to analyze the voltage stability of the system under study, whilst the dynamic analysis is used to evaluate the performance of compensators. The static techniques used are Power Flow, V–P curve analysis, and Q–V modal analysis. In this study, Flexible Alternating Current Transmission system (FACTS) devices- namely, Static Synchronous Compensators (STATCOMs) and Static Var Compensators (SVCs) - are used as reactive power compensators, taking into account maintaining the violated voltage magnitudes of the weak buses within the acceptable limits defined in ANSI C84.1. Simulation results validate that both the STATCOMs and the SVCs can be effectively used to enhance the static voltage stability and increasing network loadability margin. Additionally, based on the dynamic analysis results, it has been shown that STATCOMs have superior performance, in dynamic voltage stability enhancement, compared to SVCs

Exploring the spectroscopic diversity of type Ia supernovae with DRACULA: a machine learning approach

The existence of multiple subclasses of type Ia supernovae (SNeIa) has been the subject of great debate in the last decade. One major challenge inevitably met when trying to infer the existence of one or more subclasses is the time consuming, and subjective, process of subclass definition. In this work, we show how machine learning tools facilitate identification of subtypes of SNeIa through the establishment of a hierarchical group structure in the continuous space of spectral diversity formed by these objects. Using Deep Learning, we were capable of performing such identification in a 4 dimensional feature space (+1 for time evolution), while the standard Principal Component Analysis barely achieves similar results using 15 principal components. This is evidence that the progenitor system and the explosion mechanism can be described by a small number of initial physical parameters. As a proof of concept, we show that our results are in close agreement with a previously suggested classification scheme and that our proposed method can grasp the main spectral features behind the definition of such subtypes. This allows the confirmation of the velocity of lines as a first order effect in the determination of SNIa subtypes, followed by 91bg-like events. Given the expected data deluge in the forthcoming years, our proposed approach is essential to allow a quick and statistically coherent identification of SNeIa subtypes (and outliers). All tools used in this work were made publicly available in the Python package Dimensionality Reduction And Clustering for Unsupervised Learning in Astronomy (DRACULA) and can be found within COINtoolbox (https://github.com/COINtoolbox/DRACULA).Comment: 16 pages, 12 figures, accepted for publication in MNRA

Sequence Dependence of Self-Interacting Random Chains

We study the thermodynamic behavior of the random chain model proposed by Iori, Marinari and Parisi, and how this depends on the actual sequence of interactions along the chain. The properties of randomly chosen sequences are compared to those of designed ones, obtained through a simulated annealing procedure in sequence space. We show that the transition to the folded phase takes place at a smaller strength of the quenched disorder for designed sequences. As a result, folding can be relatively fast for these sequences.Comment: 14 pages, uuencoded compressed postscript fil