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.

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Cell-signalling dynamics in time and space

Monte-Carlo simulations of Michaelis-Menten enzymatic reactions occurring in two- dimensional unobstructed media reveal non-classical kinetics reflected by time dependent rate coefficients. A comparison between different equations proposed to describe rate coefficient time dependence is made and the initial conditions influence is also analyzed.

Nonclassical kinetics for enzymatic reactions in two-dimensional media

Gerald Rosen (Ref. 1) estimates the fusion rate for deuterium molecules trapped in a metallic lattice by applying WKB barrier penetration formula. This comment proves that Rosen’s formula is incorrect. (AIP)

/pdf/comment-on-deuterium-nuclear-fusion-at-room-temperature-a-7jypq0arl5.pdf

Comment on: Deuterium nuclear fusion at room temperature: A pertinent inequality on barrier penetration

Fractal characterization of zinc electrodeposits obtained in a quasi two-dimensional film cell under suitable applied potential and zinc sulphate concentrations is reported. Our results show that these deposits are formed according to a Laplacian growth mode, and moreover, their self-similar fractal nature allows the generalization of the Cottrell law for diffusion-limited electrochemical processes occurring on these surfaces.

Fractal electrodeposits: morphology, growth dynamics and diffusion-limited response functions

Ammonia Nitrogen Recovery from Pig Slurry Using a Novel Hydrophobic/Hydrophilic Selective Membrane

For the discovery of treatments against synucleinopathies, it is necessary to unravel and fully understand the mechanism of fibrillation of proteins involved. Among them, α-synuclein (αS) plays a key role in the development of these diseases through its aggregation into oligomers found in Lewy bodies. However, its structural disorder as an intrinsically disordered protein (IDP) makes its characterization by experimental techniques arduously difficult. Atomistic simulations aim to provide insights into this blank canvas and, fortunately, some studies have already suggested promising mechanisms. Still, it is urgent to consider the IDP features in simulations, so recently a lot of force fields designed to deal with IDPs have been developed. In this study, we have carried out a total of 12 μs simulations of an αS core fragment using a popular ff14SB AMBER force field and the ff14IDPSFF variation that includes a grid-based energy correction map (CMAP) method. The predicted chemical shifts from the simulations and those measured from the αS protein in the NMR solution indicate that ff14IDPSFF reproduces the experimental data more accurately. Moreover, structural analysis exhibits opposite trends between secondary structure propensities. The ff14SB force field preserves the α-helices found in the micelle-bound αS structure, which is used as an initial conformation, while ff14IDPSFF stands out with increased structural disorder and the formation of β-sheets, which suggests that the IDP-specific force field can capture more suitable conformations representing the possible intermediate states of the fibrillation process.

Molecular dynamics simulations of an α-synuclein NAC domain fragment with a ff14IDPSFF IDP-specific force field suggest β-sheet intermediate states of fibrillation.

Francesc Mas

Papers

Nonclassical kinetics for enzymatic reactions in two-dimensional media

Comment on: Deuterium nuclear fusion at room temperature: A pertinent inequality on barrier penetration

Fractal electrodeposits: morphology, growth dynamics and diffusion-limited response functions

Ammonia Nitrogen Recovery from Pig Slurry Using a Novel Hydrophobic/Hydrophilic Selective Membrane

Molecular dynamics simulations of an α-synuclein NAC domain fragment with a ff14IDPSFF IDP-specific force field suggest β-sheet intermediate states of fibrillation.