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

New protein parameters are reported for the all-atom empirical energy function in the CHARMM program. The parameter evaluation was based on a self-consistent approach designed to achieve a balance between the internal (bonding) and interaction (nonbonding) terms of the force field and among the solvent−solvent, solvent−solute, and solute−solute interactions. Optimization of the internal parameters used experimental gas-phase geometries, vibrational spectra, and torsional energy surfaces supplemented with ab initio results. The peptide backbone bonding parameters were optimized with respect to data for N-methylacetamide and the alanine dipeptide. The interaction parameters, particularly the atomic charges, were determined by fitting ab initio interaction energies and geometries of complexes between water and model compounds that represented the backbone and the various side chains. In addition, dipole moments, experimental heats and free energies of vaporization, solvation and sublimation, molecular volume...

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All-atom empirical potential for molecular modeling and dynamics studies of proteins.

Deposits of clastic carbonate-dominated (calciclastic) sedimentary slope systems in the rock record have been identified mostly as linearly-consistent carbonate apron deposits, even though most ancient clastic carbonate slope deposits fit the submarine fan systems better. Calciclastic submarine fans are consequently rarely described and are poorly understood. Subsequently, very little is known especially in mud-dominated calciclastic submarine fan systems. Presented in this study are a sedimentological core and petrographic characterisation of samples from eleven boreholes from the Lower Carboniferous of Bowland Basin (Northwest England) that reveals a >250 m thick calciturbidite complex deposited in a calciclastic submarine fan setting. Seven facies are recognised from core and thin section characterisation and are grouped into three carbonate turbidite sequences. They include: 1) Calciturbidites, comprising mostly of highto low-density, wavy-laminated bioclast-rich facies; 2) low-density densite mudstones which are characterised by planar laminated and unlaminated muddominated facies; and 3) Calcidebrites which are muddy or hyper-concentrated debrisflow deposits occurring as poorly-sorted, chaotic, mud-supported floatstones. These

Phd by thesis

A novel and robust automated docking method that predicts the bound conformations of flexible ligands to macromolecular targets has been developed and tested, in combination with a new scoring function that estimates the free energy change upon binding. Interestingly, this method applies a Lamarckian model of genetics, in which environmental adaptations of an individual's phenotype are reverse transcribed into its genotype and become . heritable traits sic . We consider three search methods, Monte Carlo simulated annealing, a traditional genetic algorithm, and the Lamarckian genetic algorithm, and compare their performance in dockings of seven protein)ligand test systems having known three-dimensional structure. We show that both the traditional and Lamarckian genetic algorithms can handle ligands with more degrees of freedom than the simulated annealing method used in earlier versions of AUTODOCK, and that the Lamarckian genetic algorithm is the most efficient, reliable, and successful of the three. The empirical free energy function was calibrated using a set of 30 structurally known protein)ligand complexes with experimentally determined binding constants. Linear regression analysis of the observed binding constants in terms of a wide variety of structure-derived molecular properties was performed. The final model had a residual standard y1 y1 .

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Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

Phylogenetic identification and in situ detection of individual microbial cells without cultivation.

The large size and the irregular shape of the protein molecules mean that protein crystals are characterized by very slight lattice forces. They have high solvent content in the region of 30 to 70% or even as much as 90%. Consequently, protein crystals are often unstable, poorly ordered and restricted to characteristic crystal sizes between some μm to 1 mm. One effort revealing suitable crystals is to exchange the crystal solution via diffusion. A novel device for capillary-free mounting of protein crystals is described. A controlled stream of air allows an accurate adjustment of the humidity at the crystal. The crystal is held on the tip of a micropipette. With a video system (CCD-camera), the two-dimensional shadow projections of crystals are recorded for optical analysis. Instead of the micropipette, a standard loop can also be used. Experiments and results for different crystal systems demonstrate the application of this method, also in combination with shock-freezing, to improve crystal order. Working with oxygen-free gases offers the possibility of crystal measurements under anaerobic conditions. Furthermore, the controlled application of arbitrary volatile substances with the gas stream is practicable. The control of the environment of the protein crystal in combination with accurate optical and X-ray measurements on the crystal system offers enormous possibilities for fine-tuned crystal engineering. s8b.m3.p4.la Spherically averaged phased translation function and its applications to search of molecules and fragments in the macromolecular electron density maps. A. Vagin1 and M. Isupov2, 1Department of Chemistry, University of York, Heslington, York YO1 5DD, UK; alexei@ysbl.york.ac.uk, 2School of Chemistry, University of Exeter, Stocker Road, Exeter, EX4 4QD, UK.

A novel free-mounting system for protein crystals: transformation and improvement of diffraction power by accurately controlled humidity changes

We report on a tunable - by magnetic field and gate voltage - conversion of terahertz radiation into a dc current in spatially modulated bilayer graphene. We experimentally demonstrate that the underlying physics is related to the so-called ratchet effect. Our key findings are the direct observation of a sharp cyclotron resonance in the photocurrent and the demonstration of two effects caused by electron-electron interaction: the plasmonic splitting of the resonance due to long-range Coulomb coupling and the partial suppression of its second harmonic due to fast interparticle collisions. We develop a theory which perfectly fits our data. We argue that the ratchet current is generated in the hydrodynamic regime of non-ideal electron liquid.

Cyclotron and magnetoplasmon resonances in bilayer graphene ratchets

Optical imaging techniques that provide free space, label free imaging are powerful tools in obtaining structural and biochemical information in biological samples. To date, most of the optical imaging technologies create images with a specific contrast and require multimodality integration to add additional contrast. In this study, we demonstrate spectroscopic Thermo-elastic Optical Coherence Tomography (TE-OCT) as a potential tool in tissue identification. TE-OCT creates images based on two different forms of contrast: optical reflectance and thermo-elastic deformation. TE-OCT uses short laser pulses to induce thermo-elastic tissue deformation and measures the resulting surface displacement using phase-sensitive OCT. In this work we characterized the relation between thermo-elastic displacement and optical absorption, excitation, fluence and illumination area. The experimental results were validated with a 2-dimensional analytical model. Using spectroscopic TE-OCT, the thermo-elastic spectra of elastic phantoms and tissue components in coronary arteries were extracted. Specific tissue components, particularly lipid, an important biomarker for identifying atherosclerotic lesions, can be identified in the TE-OCT spectral response. As a label-free, free-space, dual-contrast, all-optical imaging technique, spectroscopic TE-OCT holds promise for biomedical research and clinical pathology diagnosis.

Spectroscopic thermo-elastic optical coherence tomography for tissue characterization.

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Publisher Correction: Revealing nutritional requirements of MICP-relevant Sporosarcinapasteurii DSM33 for growth improvement in chemically defined and complex media

Robert Huber

Papers

A novel free-mounting system for protein crystals: transformation and improvement of diffraction power by accurately controlled humidity changes

Cyclotron and magnetoplasmon resonances in bilayer graphene ratchets

Spectroscopic thermo-elastic optical coherence tomography for tissue characterization.

Publisher Correction: Revealing nutritional requirements of MICP-relevant Sporosarcinapasteurii DSM33 for growth improvement in chemically defined and complex media

Crystal structure of uninhibited factor VIIa