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

Dye-sensitized solar cells (DSCs) offer the possibilities to design solar cells with a large flexibility in shape, color, and transparency. DSC research groups have been established around the worl ...

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Dye-Sensitized Solar Cells

2.3. Evaluation of Photocatalytic Water Splitting 6507 2.3.1. Photocatalytic Activity 6507 2.3.2. Photocatalytic Stability 6507 3. UV-Active Photocatalysts for Water Splitting 6507 3.1. d0 Metal Oxide Photocatalyts 6507 3.1.1. Ti-, Zr-Based Oxides 6507 3.1.2. Nb-, Ta-Based Oxides 6514 3.1.3. W-, Mo-Based Oxides 6517 3.1.4. Other d0 Metal Oxides 6518 3.2. d10 Metal Oxide Photocatalyts 6518 3.3. f0 Metal Oxide Photocatalysts 6518 3.4. Nonoxide Photocatalysts 6518 4. Approaches to Modifying the Electronic Band Structure for Visible-Light Harvesting 6519

Semiconductor-based Photocatalytic Hydrogen Generation

AACR Centennial Conference: Translational Cancer Medicine-- Nov 4-8, 2007; Singapore

PL02-05 

All cancers are due to abnormalities in DNA. The availability of the human genome sequence has led to the proposal that resequencing of cancer genomes will reveal the full complement of somatic mutations and hence all the cancer genes. To explore the nature of the information that will be derived from cancer genome sequencing we have sequenced the coding exons of the family of 518 protein kinases, ~1.3Mb DNA per cancer sample, in 210 cancers of diverse histological types. Despite the screen being directed toward the coding regions of a gene family that has previously been strongly implicated in oncogenesis, the results indicate that the majority of somatic mutations detected are “passengers”. There is considerable variation in the number and pattern of these mutations between individual cancers, indicating substantial diversity of processes of molecular evolution between cancers. The imprints of exogenous mutagenic exposures, mutagenic treatment regimes and DNA repair defects can all be seen in the distinctive mutational signatures of individual cancers. This systematic mutation screen and others have previously yielded a number of cancer genes that are frequently mutated in one or more cancer types and which are now anticancer drug targets (for example BRAF , PIK3CA , and EGFR ). However, detailed analyses of the data from our screen additionally suggest that there exist a large number of additional “driver” mutations which are distributed across a substantial number of genes. It therefore appears that cells may be able to utilise mutations in a large repertoire of potential cancer genes to acquire the neoplastic phenotype. However, many of these genes are employed only infrequently. These findings may have implications for future anticancer drug development.

Patterns of Somatic Mutation in Human Cancer Genomes

中枢神経系疾患の治療は正常細胞（ニューロン）の機能維持を目的とするが，脳血管障害のように機能障害の原因が細胞の死滅に基づくことは多い．一方，脳腫瘍の治療においては薬物療法や放射線療法といった腫瘍細胞の死滅を目標とするものが大きな位置を占める．いずれの場合にも，細胞死の機序を理解することは各種病態や治療法の理解のうえで重要である．現在のところ最も研究の進んでいる細胞死の型はアポトーシスである．そのなかで重要な位置を占めるミトコンドリアにおける反応および抗アポトーシス因子について概要を紹介する．

Neuroscience 細胞死：最近の知見

Thermal rate constants of the pyrolysis of n-Heptane

Competition between dissociation and ionization of H2+ in intense laser field has been investigated by using an accurate three-dimensional time-dependent wavepacket approach. The disagreement between the experiment and the former one-dimensional theory has been resolved. In a comparison of the calculated results with the available experimental data, a good agreement is reached, not only for the relative probabilities between dissociation and ionization but also for the two-peak structures and the peak energy locations for these two processes.

Dissociation and ionization competing processes for H2+ in intense laser field: Which one is larger?

A set of energies at different internuclear distances for the ground electronic state and two excited electronic states of NaH molecule have been calculated using valence internally contracted multireference configuration interaction(MRCI) including Davidson correction and three basis sets. Then, a potential energy curve (PEC) for each state was determined by extrapolating MRCI energies to the complete basis sets limit. Based on the PECs, accurate vibrational energy levels and rotational constants were determined. The computational PECs are were fitted to analytical potential energy functions using the Murrell–Sorbie potential function. Then, accurate spectroscopic parameters were calculated. Compared with experimental results, values obtained with the basis set extrapolation yield a potential energy curve that gives accurate vibrational energy levels, rotational constants and spectroscopic parameters for the NaH molecule.

Analytical potential energy function and spectroscopic parameters for the ground and excited states of NaH

1. Protein Folding Simulations by Generalized-ensemble Algorithms Takao Yoda, Yuji Sugita & Yuko Okamoto 2. Application of Markov State Models to Simulate Long Timescale Dynamics of Biological Macromolecules Lin-Tai Da, Fu Kit Sheong, Daniel-Adriano Silva & Xuhui Huang 3. Understanding Protein Dynamics Using Conformational Ensembles X. Salvatella 4. Generative Models of Conformational Dynamics Christopher James Langmead 5. Generalized Spring Tensor Models for Protein Fluctuation Dynamics and Conformation Changes Hyuntae Na, Tu-Liang Lin & Guang Song 6. The Joys and Perils of Flexible Fitting Niels Volkmann 7. Coarse-Grained Models of the Proteins Backbone: Conformational Dynamics Tap Ha-Duong 8. Simulating Protein Folding in Different Environmental Conditions Dirar Homouz 9. Simulating the Peptide Folding Kinetic Related Spectra Based on the Markov State Model Jian Song & Wei Zhuang 10. The Dilemma of Conformational Dynamics in Enzyme Catalysis: Perspectives from Theory and Experiment Urmi Doshi & Donald Hamelberg 11. Exploiting Protein Intrinsic Flexibility in Drug Design Suryani Lukman, Chandra S. Verma, & Gloria Fuentes 12. NMR and Computational Methods in the Structural and Dynamic Characterization of Ligand-receptor Interactions Michela Ghitti, Giovanna Musco & Andrea Spitaler 13. Molecular Dynamics Simulation of Membrane Proteins Jingwei Weng & Wenning Wang 14. Free-energy Landscape of Intrinsically Disordered Proteins Investigated by All-atom Multicanonical Molecular Dynamics Junichi Higo & Koji Umezawa 15. Coordination and Control Inside Simple Biomolecular Machines Jin Yu 16. Multi-state Targeting Machinery Govern the Fidelity and Efficiency of Protein Localization Ming-jun Yang, Xueqin Pang & Ke-li Han 17. Molecular Dynamics Simulations of F1-ATPase Yuko Ito & Mitsunori Ikeguchi 18. Chemosensorial G-proteins-coupled Receptors: A Perspective from Computational Methods Francesco Musiani, Giulia Rossetti, Alejandro Giorgetti & Paolo Carloni

Protein conformational dynamics

Femtosecond time-resolved studies using fluorescence depletion spectroscopy were performed on Rhodamine 700 in acetone solution and on Oxazine 750 in acetone and formamide solutions at different temperatures. The experimental curves that include both fast and slow processes have been fitted using a biexponential function. Time constants of the fast process, which corresponds to the intramolecular vibrational redistribution (IVR) of solute molecules, range from 300 to 420 fs and increase linearly as the temperature of the environment decreases. The difference of the average vibrational energy of solute molecules in the ground state at different temperatures is a possible reason that induces this IVR time-constant temperature dependence. However, the time constants of the slow process, which corresponds to the energy transfer from vibrational hot solute molecules to the surroundings occurred on a time scale of 1-50 ps, changed dramatically at lower temperature, nonlinearly increasing with the decrease of temperature. Because of the C-H...O hydrogen-bond between acetone molecules, it is more reasonable that acetone molecules start to be associated, which can influence the energy transfer between dye molecules and acetone molecules efficiently, even at temperatures far over the freezing point.

Ke-Li Han

Papers

Thermal rate constants of the pyrolysis of n-Heptane

Dissociation and ionization competing processes for H2+ in intense laser field: Which one is larger?

Analytical potential energy function and spectroscopic parameters for the ground and excited states of NaH

Protein conformational dynamics

Ultrafast Dynamics of Dye Molecules in Solution as a Function of Temperature