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1.
Phys Rev E ; 108(2-1): 024312, 2023 Aug.
Artigo em Inglês | MEDLINE | ID: mdl-37723758

RESUMO

We study percolation on the sites of a finite lattice visited by a generalized random walk of finite length with periodic boundary conditions. More precisely, consider Levy flights and walks with finite jumps of length >1 [like Knight's move random walks (RWs) in two dimensions and generalized Knight's move RWs in 3D]. In these walks, the visited sites do not form (as in ordinary RWs) a single connected cluster, and thus percolation on them is nontrivial. The model essentially mimics the spreading of an epidemic in a population weakened by the passage of some devastating agent-like diseases in the wake of a passing army or of a hurricane. Using the density of visited sites (or the number of steps in the walk) as a control parameter, we find a true continuous percolation transition in all cases except for the 2D Knight's move RWs and Levy flights with Levy parameter σ≥2. For 3D generalized Knight's move RWs, the model is in the universality class of pacman percolation, and all critical exponents seem to be simple rationals, in particular, ß=1. For 2D Levy flights with 0<σ<2, scale invariance is broken even at the critical point, which leads at least to very large corrections in finite-size scaling, and even very large simulations were unable to unambiguously determine the critical exponents.

2.
Phys Chem Chem Phys ; 23(39): 22620-22628, 2021 Oct 13.
Artigo em Inglês | MEDLINE | ID: mdl-34596177

RESUMO

Molecular self-assembly is a ubiquitous phenomenon in which individual atoms or molecules set up an ordered structure. It is of high interest for understanding the biology and a variety of diseases at the molecular level. In this work, we studied the self-assembly of tyrosine molecules via extensive molecular dynamics simulations. The formation of structures by self-assembly was systematically studied at various concentrations, from very low to very high. The temperature was kept constant, at which, in our former studies, we have already observed well-formed self-assembled structures. Depending on the concentration, the system displays a wide range of different structures, ranging from freely scattered monomers to very well formed four-fold structures. Different regimes of concentration dependence are observed. The results are proved by calculating the moments of inertia of the structures and the number of hydrogen bonds formed. Free energy landscapes calculated for the number of hydrogen bonds versus the number of contacts within a criterion provide insights into the structures observed.


Assuntos
Simulação de Dinâmica Molecular , Tirosina/síntese química , Tirosina/química
3.
Sci Rep ; 8(1): 16231, 2018 11 01.
Artigo em Inglês | MEDLINE | ID: mdl-30385859

RESUMO

It is well known that all biological systems which undergo oxidative metabolism or oxidative stress generate a small amount of light. Since the origin of excited states producing this light is generally accepted to come from chemical reactions, the term endogenous biological chemiluminescence is appropriate. Apart from biomedicine, this phenomenon has potential applications also in plant biology and agriculture like monitoring the germination rate of seeds. While chemiluminescence capability to monitor germination has been measured on multiple agriculturally relevant plants, the standard model plant Arabidopsis thaliana has not been analyzed for this process so far. To fill in this gap, we demonstrate here on A. thaliana that the intensity of endogenous chemiluminescence increases during the germination stage. We showed that the chemiluminescence intensity increases since the second day of germination, but reaches a plateau on the third day, in contrast to other plants germinating from larger seeds studied so far. We also showed that intensity increases after topical application of hydrogen peroxide in a dose-dependent manner. Further, we demonstrated that the entropy of the chemiluminescence time series is similar to random Poisson signals. Our results support a notion that metabolism and oxidative reactions are underlying processes which generate endogenous biological chemiluminescence. Our findings contribute to novel methods for non-invasive and label-free sensing of oxidative processes in plant biology and agriculture.


Assuntos
Arabidopsis/crescimento & desenvolvimento , Arabidopsis/metabolismo , Germinação , Luminescência , Sementes/crescimento & desenvolvimento , Sementes/metabolismo , Arabidopsis/genética , Biomarcadores , Germinação/genética , Peróxido de Hidrogênio/metabolismo , Peróxido de Hidrogênio/farmacologia , Oxirredução/efeitos dos fármacos , Estresse Oxidativo , Sementes/genética
4.
Phys Rev E ; 96(4-1): 042215, 2017 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-29347478

RESUMO

Casimir forces between material surfaces at close proximity of less than 200 nm can lead to increased chaotic behavior of actuating devices depending on the strength of the Casimir interaction. We investigate these phenomena for phase-change materials in torsional oscillators, where the amorphous to crystalline phase transitions lead to transitions between high and low Casimir force and torque states, respectively, without material compositions. For a conservative system bifurcation curve and Poincare maps analysis show the absence of chaotic behavior but with the crystalline phase (high force-torque state) favoring more unstable behavior and stiction. However, for a nonconservative system chaotic behavior can take place introducing significant risk for stiction, which is again more pronounced for the crystalline phase. The latter illustrates the more general scenario that stronger Casimir forces and torques increase the possibility for chaotic behavior. The latter is making it impossible to predict whether stiction or stable actuation will occur on a long-term basis, and it is setting limitations in the design of micronano devices operating at short-range nanoscale separations.

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