抗原变异可使得多种致病微生物易于逃避宿主免疫应答。表达在感染红细胞表面的恶性疟原虫红细胞表面蛋白1（PfPMP1）与感染红细胞、内皮细胞、树突状细胞以及胎盘的单个或多个受体作用，在黏附及免疫逃避中起关键的作用。每个单倍体基因组var基因家族编码约60种成员，通过启动转录不同的var基因变异体为抗原变异提供了分子基础。

疟原虫var基因转换速率变化导致抗原变异[英]／Paul H, Robert P, Christodoulou Z, et al//Proc Natl Acad Sci U S A

1: Magnetic Particles: Preparation, Properties and Applications: M. Ozaki. 2: Maghemite (gamma-Fe2O3): A Versatile Magnetic Colloidal Material C.J. Serna, M.P. Morales. 3: Dynamics of Adsorption and Oxidation of Organic Molecules on Illuminated Titanium Dioxide Particles Immersed in Water M.A. Blesa, R.J. Candal, S.A. Bilmes. 4: Colloidal Aggregation in Two-Dimensions A. Moncho-Jorda, F. Martinez-Lopez, M.A. Cabrerizo-Vilchez, R. Hidalgo Alvarez, M. Quesada-PMerez. 5: Kinetics of Particle and Protein Adsorption Z. Adamczyk.

Surface and Colloid Science

In the past decade, there have been exciting developments in the field of lithium ion batteries as energy storage devices, resulting in the application of lithium ion batteries in areas ranging from small portable electric devices to large power systems such as hybrid electric vehicles. However, the maximum energy density of current lithium ion batteries having topatactic chemistry is not sufficient to meet the demands of new markets in such areas as electric vehicles. Therefore, new electrochemical systems with higher energy densities are being sought, and metal-air batteries with conversion chemistry are considered a promising candidate. More recently, promising electrochemical performance has driven much research interest in Li-air and Zn-air batteries. This review provides an overview of the fundamentals and recent progress in the area of Li-air and Zn-air batteries, with the aim of providing a better understanding of the new electrochemical systems.

https://www.onlinelibrary.wiley.com/doi/epdf/10.1002/aenm.201000010

Metal–Air Batteries with High Energy Density: Li–Air versus Zn–Air

: The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio. Harmonic force fields are obtained using Density Functional Theory (DFT), MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set. DFT calculations use the Local Spin Density Approximation (LSDA), BLYP, and Becke3LYP (B3LYP) density functionals. Mid-IR spectra predicted using LSDA, BLYP, and B3LYP force fields are of significantly different quality, the B3LYP force field yielding spectra in clearly superior, and overall excellent, agreement with experiment. The MP2 force field yields spectra in slightly worse agreement with experiment than the B3LYP force field. The SCF force field yields spectra in poor agreement with experiment.The basis set dependence of B3LYP force fields is also explored: the 6-31G* and TZ2P basis sets give very similar results while the 3-21G basis set yields spectra in substantially worse agreements with experiment. jg

Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields

The specificity of cellular responses to receptor stimulation is encoded by the spatial and temporal dynamics of downstream signalling networks. Temporal dynamics are coupled to spatial gradients of signalling activities, which guide pivotal intracellular processes and tightly regulate signal propagation across a cell. Computational models provide insights into the complex relationships between the stimuli and the cellular responses, and reveal the mechanisms that are responsible for signal amplification, noise reduction and generation of discontinuous bistable dynamics or oscillations.

/pdf/cell-signalling-dynamics-in-time-and-space-1kenz3nw5d.pdf

Cell-signalling dynamics in time and space

Non-monotonic behavior of weak-polyelectrolytes adsorption on a cationic surface: A Monte Carlo simulation study

In this paper, several aspects of implementing a Monte Carlo simulation algorithm for studying the Michaelis-Menten mechanism of enzymatic reactions in crowded media are presented. Using a two dimensional lattice with obstacles, it is shown how the initial distribution of the reactants and obstacles on the lattice affects the values of the rate coefficients and the concentration of the reactants. The influ- ence of the number of considered nearest neighbours and of the obstacle concentra- tion on the values of the rate coefficients is also demonstrated. The results strongly suggest fractal kinetics for enzyme reactions in crowded media.

http://www.doiserbia.nb.rs/img/doi/0352-5139/2006/0352-51390601075I.pdf

About implementing a Monte Carlo simulation algorithm for enzymatic reactions in crowded media

Voltammetry of heterogeneous labile metal-macromolecular systems for any ligand-to-metal ratio.: Part III. Rigorous computation of the binding curve from the normalised limiting currents

An effect of drift is investigated on the segregation pattern in diffusion-limited aggregation (DLA) with two components (A and B species). The sticking probability ${\mathit{P}}_{\mathit{A}\mathit{B}}$ (=${\mathit{P}}_{\mathit{B}\mathit{A}}$) between the different species is introduced into the DLA model with drift, where the sticking probability ${\mathit{P}}_{\mathit{A}\mathit{A}}$ (=${\mathit{P}}_{\mathit{B}\mathit{B}}$) between the same species equals 1. By using computer simulation it is found that the drift has an important effect on not only the morphology but also the segregation pattern. Under the drift and the small sticking probability, a characteristic pattern appears where elongated clusters of A species and of B species are periodically dispersed. The period decreases with increasing drift. The periodic structure of the deposits is characterized by an autocorrelation function. The shape of the cluster consisting of only A species (or B species) shows a vertically elongated filamentlike structure. Each cluster becomes vertically longer with decreasing sticking probability ${\mathit{P}}_{\mathit{A}\mathit{B}}$. The segregation pattern is distinctly different from that with no drift and a small sticking probability ${\mathit{P}}_{\mathit{A}\mathit{A}}$. The effect of the concentration on the segregation pattern is also shown.

/pdf/effect-of-drift-on-segregation-in-two-component-diffusion-4h11talrpo.pdf

Effect of drift on segregation in two-component diffusion-limited aggregation

This paper focuses on Monte Carlo simulations of single-particle diffusion in two- dimensional (2D) and three-dimensional (3D) media with obstacles distributed randomly and, respective, uniformly. The simulation data show ano malous diffusion for short times and normal diffusion for long times and they suggest that the uniform distribution of obstacles facilitates diffu sion in comparison to their random distribution. The sim ulation results also reveal that, for the same dimensionality of the media, anomalous diffusion in creases, as the average space between obstacles decreases and it is always much less anomalous in 3D crowded media than in 2D ones.

Francesc Mas

Papers

Non-monotonic behavior of weak-polyelectrolytes adsorption on a cationic surface: A Monte Carlo simulation study

About implementing a Monte Carlo simulation algorithm for enzymatic reactions in crowded media

Voltammetry of heterogeneous labile metal-macromolecular systems for any ligand-to-metal ratio.: Part III. Rigorous computation of the binding curve from the normalised limiting currents

Effect of drift on segregation in two-component diffusion-limited aggregation

Monte carlo simulation of single-particle diffusion in two-dimensional and three- dimensional crowded media