Exploration of the Parameter Space of an Ion Channel Kinetic Model by a Markov-Chain-Based Methodology.

In this work, we propose a methodology based on Monte Carlo Markov chains to explore the parameter space of kinetic models for ion channels. The methodology allows the detection of potential parameter sets of a model that are compatible with experimentally obtained whole-cell currents, which could remain hidden when methods focus on obtaining the parameters that provide the best fit. To show its implementation and utility, we considered a four-state kinetic model proposed in the literature to describe the activation of the voltage-gated proton channel (Hv1), , , 1564.

Immunity acquired by a minority active fraction of the population could explain COVID-19 spread in Greater Buenos Aires (June-November 2020).

The coronavirus disease 2019 (COVID-19) pandemic had an uneven development in different countries. In Argentina, the pandemic began in March 2020 and, during the first 3 months, the vast majority of cases were concentrated in a densely populated region that includes the city of Buenos Aires (country capital) and the Greater Buenos Aires (GBA) area that surrounds it. This work focuses on the spread of COVID-19 between June and November 2020 in GBA.

Non-mandatory immunization and its potential impact on pertussis epidemiology.

In this study, we performed a quantitative analysis of the potential short-term consequences on pertussis of the draft bill on Informed Consent for Immunization proposed in Argentina in 2017, which considers a non-mandatory immunization schedule for minors. We used a mathematical model of pertussis transmission, which had been previously developed by our group. It is considered that the mere presentation of the project causes a reduction in coverage because it creates suspicion on the benefits of immunization.

Pertussis epidemiology in Argentina: TRENDS after the introduction of maternal immunisation.

Data on the impact of the recently recommended maternal pertussis vaccination are promising, but still insufficient to universalise this approach. We thus compared the epidemiological data prior to the implementation of this vaccination strategy in Argentina (2012) with the figures reported after 2012. During that 2010-2016 period, two outbreaks occurred, one in 2011 and another in 2016.

Potential Impact of Changes in the Schedule for Primary Diphtheria-Tetanus Toxoids-Pertussis Immunization as Control Strategy for Pertussis.

Background: Pertussis is a vaccine-preventable respiratory disease that may cause death mainly in infants. The schedules for primary pertussis vaccination are set in each country by the local health authorities. Several different schedules meet World Health Organization recommendations, 2-4-6 months, 6-10-14 weeks, 2-3-4 months and 3-4-5 months being the most commonly used worldwide.

SIR model with local and global infective contacts: A deterministic approach and applications.

An epidemic model with births and deaths is considered on a two-dimensional L×L lattice. Each individual can have global infective contacts according to the standard susceptible-infected-recovered (SIR) model rules or local infective contacts with their nearest neighbors. We propose a deterministic approach to this model and, for the parameters corresponding to pertussis and rubella in the prevaccine era, verify that there is a close agreement with the stochastic simulations when epidemic spread or endemic stationarity is considered.

Mathematical modeling of delayed pertussis vaccination in infants.

Pertussis is an acute vaccine-preventable respiratory disease that remains a public health problem. In an attempt to improve the control of the disease, many countries have incorporated new boosters in their vaccination schedule. Since the incorporation of these boosters is relatively recent, there are not enough data about their impact to support and/or universalize their use.

Modelling the effect of changes in vaccine effectiveness and transmission contact rates on pertussis epidemiology.

The incidence of the highly infectious respiratory disease named pertussis or whooping cough has been increasing for the past two decades in different countries, as in much of the highly vaccinated world. A decrease in vaccine effectiveness over time, especially when acellular vaccines were used for primary doses and boosters, and pathogen adaptation to the immunity conferred by vaccines have been proposed as possible causes of the resurgence. The contributions of these factors are not expected to be the same in different communities, and this could lead to different epidemiological trends.

Assessment of pertussis vaccination strategies using a mathematical model of disease transmission.

Pertussis or whooping cough is a vaccine-preventable respiratory disease that has reemerged in the past decades. A higher morbidity and mortality has been recorded in infants, although cases have also been reported in adolescents and adults. The epidemiological scenario for this condition has urged to review and implement new strategies aimed at improving its control.

Modelling pertussis transmission to evaluate the effectiveness of an adolescent booster in Argentina.

Due to the current epidemiological situation of pertussis, several countries have implemented vaccination strategies that include a booster dose for adolescents. Since there is still no evidence showing that the adolescent booster has a positive effect on the most vulnerable group represented by infants, it is difficult to universalize the recommendation to include such reinforcement. In this work we present an age-structured compartmental deterministic model that considers the outstanding epidemiological features of the disease in order to assess the impact of the booster dose at age 11 years (Tdap booster) to infants.

From particles to spins: Eulerian formulation of supercooled liquids and glasses.

The dynamics of supercooled liquid and glassy systems are usually studied within the Lagrangian representation, in which the positions and velocities of distinguishable interacting particles are followed. Within this representation, however, it is difficult to define measures of spatial heterogeneities in the dynamics, as particles move in and out of any one given region within long enough times. It is also nontransparent how to make connections between the structural glass and the spin glass problems within the Lagrangian formulation.

Revisiting random walks in fractal media: on the occurrence of time discrete scale invariance.

This paper addresses the kinetic behavior of random walks in fractal media. We perform extensive numerical simulations of both single and annihilating random walkers on several Sierpinski carpets, in order to study the time behavior of three observables: the average number of distinct sites visited by a single walker, the mean-square displacement from the origin, and the density of annihilating random walkers. We found that the time behavior of those observables is given by a power law modulated by soft logarithmic-periodic oscillations.

Discrete scale invariance effects in the nonequilibrium critical behavior of the Ising magnet on a fractal substrate.

The nonequilibrium critical dynamics of the Ising magnet on a fractal substrate, namely the Sierpinski carpet with Hausdorff dimension d(H)=1.7925, has been studied within the short-time regime by means of Monte Carlo simulations. The evolution of the physical observables was followed at criticality, after both annealing ordered spin configurations (ground state) and quenching disordered initial configurations (high temperature state), for three segmentation steps of the fractal.

Fickian crossover and length scales from two point functions in supercooled liquids.

Particle motion of a Lennard-Jones supercooled liquid near the glass transition is studied by molecular dynamics simulations. We analyze the wave vector dependence of relaxation times in the incoherent self-scattering function and show that at least three different regimes can be identified and its scaling properties determined. The transition from one regime to another happens at characteristic length scales.

Critical behavior of an Ising system on the Sierpinski carpet: a short-time dynamics study.

The short-time dynamic evolution of an Ising model embedded in an infinitely ramified fractal structure with noninteger Hausdorff dimension was studied using Monte Carlo simulations. Completely ordered and disordered spin configurations were used as initial states for the dynamic simulations. In both cases, the evolution of the physical observables follows a power-law behavior.

Distance between inherent structures and the influence of saddles on approaching the mode coupling transition in a simple glass former.

We analyze through molecular dynamics simulations of a Lennard-Jones (LJ) binary mixture the statistics of the distances between inherent structures sampled at temperatures above the mode coupling transition temperature T(MCT). After equilibrating at T>T(MCT) we take equilibrated configurations and randomly perturb the coordinates of a given number of particles. After that we find the nearby inherent structures (IS) of both the original and perturbed configurations and evaluate the distance between them.

Anisotropic relaxations introduced by Cd impurities in rutile TiO(2): first-principles calculations and experimental Support.

We present an ab initio study of the relaxations introduced in TiO (2) when a Cd impurity substitutes a Ti atom and an experimental test of this calculation by a perturbed-angular-correlation (PAC) measurement of the orientation of the electric-field gradient (EFG) tensor at the Cd site. The ab initio calculation predicts strong anisotropic relaxations of the nearest oxygen neighbors of the impurity and a change of the orientation of the largest EFG tensor component, V(33 ), from the [001] to the [110] direction upon substitution of a Ti atom by a Cd impurity. The last prediction is confirmed by the PAC experiment that shows that V(33 ) at the Cd site is parallel to either the [110] or the [1 1;0] crystal axis.

[Simultaneous, gas-chromatographic determination of ethyleneoxide, ethylenechlorohydrine and ethyleneglycol in grain (author's transl)].

The not comminuted grain (10 g) is extracted for 24 hrs (25 degrees C) with 5 ml methanol (shaking machine), then the fluid phase is separated by centrifugal filtration and directly injected into the GC (10 mu). The GC starting temperature (60 degrees C) is adjusted by cooling the oven with Co2. Yield: EO 73% (concentr.