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

다중혈관 관상동맥 환자에서 y-문합을 이용하여 양쪽 내흉동맥만을 사용한 우회술의 조기 성적

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 intrinsic limits of conventional cancer therapies prompted the development and application of various nanotechnologies for more effective and safer cancer treatment, herein referred to as cancer nanomedicine. Considerable technological success has been achieved in this field, but the main obstacles to nanomedicine becoming a new paradigm in cancer therapy stem from the complexities and heterogeneity of tumour biology, an incomplete understanding of nano-bio interactions and the challenges regarding chemistry, manufacturing and controls required for clinical translation and commercialization. This Review highlights the progress, challenges and opportunities in cancer nanomedicine and discusses novel engineering approaches that capitalize on our growing understanding of tumour biology and nano-bio interactions to develop more effective nanotherapeutics for cancer patients.

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Cancer nanomedicine: progress, challenges and opportunities.

This Perspective explores and explains the fundamental dogma of nanoparticle delivery to tumours and answers two central questions: ‘how many nanoparticles accumulate in a tumour?’ and ‘how does this number affect the clinical translation of nanomedicines?’

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Analysis of nanoparticle delivery to tumours

Nanocarriers: Erythrocyte–Platelet Hybrid Membrane Coating for Enhanced Nanoparticle Functionalization (Adv. Mater. 16/2017)

The present invention relates to viral or cellular membrane coated nanostructures Nanostructure networks, nanoscaffolds and articles of manufacture comprising the nanostructure, and uses thereof, are also provided The present invention also relates to methods for anchoring, attaching and/or growing a target cell Target cells, constituent(s) of the target cells, target substances made by the target cells or culture medium of the target cells prepared by the present methods, and uses thereof, are also provided

Cellular or viral membrane coated nanostructures and uses thereof

Carbon materials are widely used in numerous fields, thus changing our lives. With the increasing consumption of carbon-based products, the disposal of consequent wastes has become a challenge due to their inert nature, which is hard to degrade, burn, or melt. Here, a recyclable strategy is proposed to deal with the explosive growth of carbon wastes. Through a fast and clean electrochemical method, carbon wastes are converted into functional building blocks of high value, such as graphene and graphene quantum dots (GQDs). For typical polyimide-pyrolyzed carbon (PPC), we establish the relationship between the chemical structure of raw materials and the characteristics of graphene products, including size and yield. The size-tunable graphene ranging from 3 nm to tens of micrometers is prepared by tuning the sp3/sp2 carbon ratio of PPC from 0.5 to 0 at adjustable temperatures (800 °C–2800 °C). Significantly, PPC with a bicontinuous structure (comprising sp2 and sp3) was efficiently cut into GQDs in 2 h with a high yield of 98%. Our protocol offers great potential for the scale-up preparations and applications of GQDs. Besides, we demonstrate that the GQDs performed well as dispersants to disperse hydrophobic carbon nanotubes (0.6 mg mL−1) in water and improved the gravimetric capacitance of graphene-based supercapacitors by 79.4% with 3% GQDs added as nano-fillers.

A polyimide-pyrolyzed carbon waste approach for the scalable and controlled electrochemical preparation of size-tunable graphene.

Rectifying and photoelectronic properties of the La0.67Ba0.33MnO3/SrTiO3:Nb junctions with the film thickness from d=0.5 to 30 nm have been systematically studied. It is found that the electronic transport of the junction is dominated by quantum tunneling or thermoionic emission when film thickness is below or above 1 nm. The rectifying ratio and ideality factor, correspondingly, experience a sudden change as film thickness grows from 0.5 to 1 nm and a smooth variation with film thickness above 1 nm. The threshold film thickness for the establishment of a mature depletion layer is therefore 1 nm. The photoemission properties of the junctions also exhibit a strong dependence on film thickness. As experimentally shown, the photocurrent vanishes in the zero thickness limit, and grows rapidly with the increase in film thickness until d=6 nm, where a maximal photocurrent of ∼770 nA/mm2 under the irradiance of the laser of 5 mW and 532 nm is obtained. After this maximum, an increase-to-decrease turning appears ...

Influence of film thickness on the physical properties of manganite heterojunctions

Facile Synthesis of Reduced Graphene Oxide‐octahedral Mn 3 O 4 Nanocomposites as a Platform for the Electrochemical Determination of Metronidazole and Sulfamonomethoxine

Weiwei Gao

Papers

Nanocarriers: Erythrocyte–Platelet Hybrid Membrane Coating for Enhanced Nanoparticle Functionalization (Adv. Mater. 16/2017)

Cellular or viral membrane coated nanostructures and uses thereof

A polyimide-pyrolyzed carbon waste approach for the scalable and controlled electrochemical preparation of size-tunable graphene.

Influence of film thickness on the physical properties of manganite heterojunctions

Facile Synthesis of Reduced Graphene Oxide‐octahedral Mn 3 O 4 Nanocomposites as a Platform for the Electrochemical Determination of Metronidazole and Sulfamonomethoxine