Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

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

THE DESIGN AND ANALYSIS OF EXPERIMENTS. By Oscar Kempthorne. New York, John Wiley and Sons, Inc., 1952. 631 pp. $8.50. This book by a teacher of statistics (as well as a consultant for \"experimenters\") is a comprehensive study of the philosophical background for the statistical design of experiment. It is necessary to have some facility with algebraic notation and manipulation to be able to use the volume intelligently. The problems are presented from the theoretical point of view, without such practical examples as would be helpful for those not acquainted with mathematics. The mathematical justification for the techniques is given. As a somewhat advanced treatment of the design and analysis of experiments, this volume will be interesting and helpful for many who approach statistics theoretically as well as practically. With emphasis on the \"why,\" and with description given broadly, the author relates the subject matter to the general theory of statistics and to the general problem of experimental inference. MARGARET J. ROBERTSON

The Design and Analysis of Experiments

[신간의 별자리x] 우리/미술, 그리고 ‘슬픔의 박물관’

This critical review provides a processing-structure-property perspective on recent advances in cellulose nanoparticles and composites produced from them. It summarizes cellulose nanoparticles in terms of particle morphology, crystal structure, and properties. Also described are the self-assembly and rheological properties of cellulose nanoparticle suspensions. The methodology of composite processing and resulting properties are fully covered, with an emphasis on neat and high fraction cellulose composites. Additionally, advances in predictive modeling from molecular dynamic simulations of crystalline cellulose to the continuum modeling of composites made with such particles are reviewed (392 references).

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Cellulose nanomaterials review: structure, properties and nanocomposites

Self‐Assembly of Native Cellulose Nanostructures

Permeation of a cationic polyelectrolyte into mesoporous silica: Part 3. Using adsorption isotherms to elucidate streaming potential results

The adsorption of polyalkylene glycols and co-polymers of ethylene oxide and propylene oxide on substrates relevant to textiles with varying surface energies (cellulose, polypropylene, nylon and polyester) was studied by using quartz crystal microgravimetry. Langmuirian-type isotherms were observed for the adsorption profiles of nonionic block polymers of different architectures. The affinity with the surfaces is discussed based on experimental observations, which highlights the role of hydrophobic effects. For a given type of block polymer, micellar and monomeric adsorption is governed by the balance of polymer structure (mainly, chain length of hydrophobic segments) and substrate’s surface energy.

Role of textile substrate hydrophobicity on the adsorption of hydrosoluble nonionic block copolymers

Polyampholytes yielded superior dry strength increases following their addition to slurries of papermaking fibres. The bi-ionic polymers achieved greater tensile strength, compared to similar polymers having ionic groups of only positive or negative charge. Dry-strength efficiency increased with increasing charge density of the polyampholyte. Strength results were consistent with turbidity data, showing that the polyampholytes generally became less soluble at intermediate values of pH. In contrast to simple polyelectrolytes, the adsorbed amphoteric macromolecules imbibed significant amounts of water of hydration. Though high levels of polyampholytes added to the furnish tended to reduce the rate of gravity dewatering, such effects tended to be lower than the drainage inhibition caused by single-charge polyelectrolytes. The effects of polyampholytes were achieved without the adverse effects often associated with refining, e.g. decreased dewatering rates, fibre shortening, or changes in the conformability of the fibres.

Orlando J. Rojas

Papers

Self‐Assembly of Native Cellulose Nanostructures

Permeation of a cationic polyelectrolyte into mesoporous silica: Part 3. Using adsorption isotherms to elucidate streaming potential results

Role of textile substrate hydrophobicity on the adsorption of hydrosoluble nonionic block copolymers

Unique Behaviour of Polyampholytes as Drystrength Additives

Effects of talc, kaolin and calcium carbonate as fillers in biopolymer packaging materials