The effects of molecular crowding on the enzymatic conformational dynamics and transport properties adenylate kinase are investigated. This tridomain protein undergoes large scale hinge motions in course its cycle serves as prototype for study cyclic proteins. is carried out at a mesoscopic level where both solvent which it dissolved treated coarse grained fashion. amino acid residues represented by network beads described multiparticle collision that includes due to hydrodynamic...

A multi-scale, coarse-grained description of protein conformational dynamics in a solvent is presented. The focus the paper on motions that may accompany enzyme catalysis as executes catalytic cycle, starting with substrate binding and ending product release return to original unbound enzyme. modeled by network beads representing amino acid residues, described multiparticle collision dynamics, unbinding events are stochastically conformation-dependent transitions modify bonding correspond...

The structural and dynamical properties of macromolecules in confining or crowded environments are different from those simple bulk liquids. In this paper, both the conformational diffusional dynamics globular polymers studied solutions containing fixed spherical obstacles. These as a function obstacle volume fraction size, well polymer chain length. results obtained using hybrid scheme that combines multiparticle collision solvent with molecular includes interactions among monomers between...

The dynamics of an elastic network model for the enzyme 4-oxalocrotonate tautomerase is studied in a system crowded by mobile macromolecules, also modeled networks.

Background and Objective: Corncob contain high percentage of cellulose (40.95±0.38%),hemicellulose (38.94±1.72%)and low lignin content (16.54±0.38%)which has a great potential bioconversion to bioethanol.The objective this research was evaluate the effect acidification, freezing combination these pre-treatments in corncob compounds its enzymatic hydrolysis.Materials Methods: It evaluated changes occured macrostructure lignocellulosic after pre-treatments.Corncob fiber pretreated by at -20EC...

We analyze the convergence of multiplicative Schwarz method applied to nonsymmetric linear algebraic systems obtained from discretizations one-dimensional singularly perturbed convection-diffusion equations by upwind and central finite differences on a Shishkin mesh. Using structure iteration matrices we derive bounds infinity norm error that are valid first step iteration. Our for scheme prove rapid all relevant choices parameters in problem. The analysis difference is more complicated,...

Simulations of the enzymatic dynamics a model enzyme containing multiple substrate binding sites indicate existence diffusional correlations in chemical reactivity active sites. A coarse-grain, particle-based, mesoscopic description system, comprising enzyme, substrate, product and solvent, is constructed to study these effects. The reactive non-reactive followed using hybrid scheme that combines molecular for molecules with multiparticle collision solvent. It found an individual site...

The aim of this study was to implement an eco-hydrological distributed model using only remotely sensed information (soil moisture and leaf area index) during the calibration phase. Four soil moisture-based metrics were assessed, best alternative chosen, which a metric based on similarity between principal components that explained at least 95% variation Nash-Sutcliffe Efficiency (NSE) index simulated observed surface moisture. selected compared with streamflow-based approach. results showed...

The Schlieren method has been used before to visualize weak shock waves radiated from the open ends of brass instruments, but no attempt previously undertaken, however, measure geometry wavefronts using images. In this paper visualization is estimate two-dimensional bell a trumpet at different frequencies. It observed that shocks does change with frequency, in expected manner. propagation speeds these are also calculated, and they too exhibit anticipated behavior.

A system of coupled chaotic bistable maps on a lattice with randomly distributed impurities is investigated as model for studying the phenomenon phase growth in nonuniform media. The statistical properties are characterized by means average size spatial domains equivalent spin variables that define phases. It found rate at which grow becomes smaller when present and resulting inhomogeneous state decreases density increased. diagram showing regions where homogeneous, heterogeneous, chessboard...

We propose a model to study symmetric binary fluids, based in the mesoscopic molecular simulation technique known as multiparticle collision, where space and state variables are continuous while time is discrete. include repulsion rule simulate segregation processes that does not require calculation of interaction forces between particles, thus allowing description fluids at scale. The conceptually simple, computationally efficient, maintains Galilean invariance, conserves mass energy system...

We analyze the convergence of (algebraic) multiplicative Schwarz method applied to linear algebraic systems with matrices having a special block structure that arises, for example, when (partial) differential equation is posed and discretized on two-dimensional domain consists two subdomains an overlap. This basic situation in context decomposition methods. Our analysis based iteration matrices, we derive error bounds are diagonal dominance given system matrix. does not assume matrix...

We carried out a Cellular Automata simulation of model polyelectrolyte solution at infinite dilution, in order to reproduce qualitatively its conformational properties. Our results predict the so called \emph{pearl necklace} structures, which compare favorably with more elaborated and costly Molecular Dynamics simulations.

En esta serie, Echeverría Kossak explora relaciones de sistemas ordenamiento y control, aparatos burocráticos donde el individuo no existe. Lo que existe es la multitud marcha abocada día tras a cumplir una serie labores mantienen al sistema en pie; cualquier sistema. apunta hacia ningún régimen específico, pues todos funcionan con los mismos fundamentos cambio otorgan posibilidad satisfacer apetitos sexuales, las hambres poder, ansias escalar socialmente. Otorgan breves escapes, regulan...