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The corona of a nanoparticle immersed in a biological fluid is of key importance to its eventual fate and bioactivity in the environment or inside live tissues. It is critical to have insight into both the underlying bionano interactions and the corona composition to ensure biocompatibility of novel engineered nanomaterials. A prediction of these properties in silico requires the successful spanning of multiple orders of magnitude of both time and physical dimensions to produce results in a reasonable amount of time, necessitating the development of a multiscale modelling approach. Here, we present the NPCoronaPredict open-source software package: a suite of software tools to enable this prediction for complex multi-component nanomaterials in essentially arbitrary biological fluids, or more generally any medium containing organic molecules. The package integrates several recent physics-based computational models and a library of both physics-based and data-driven parameterisations for nanomaterials and organic molecules. We describe the underlying theoretical background and the package functionality from the design of multi-component NPs through to the evaluation of the corona., Comment: 52 double-spaced pages and 17 figures (main text), 13 pages and 1 figure (supporting material)

Nanomaterials possess a wide range of potential applications due to their novel properties compared to bulk matter, but these same properties may represent an unknown risk to health. Experimental safety testing cannot keep pace with the rate at which new nanoparticles are developed and, being lengthy and expensive, often hinders the development of technology. An economic alternative to in vitro and in vivo testing is offered by nanoinformatics, potentially enabling the quantitative relation of the nanomaterial properties to their crucial biological activities. Recent research efforts have demonstrated that such activities can be successfully predicted from the physicochemical characteristics of nanoparticles, especially those related to the bionano interface, by means of statistical models. In this work, as a step towards in silico prediction of toxicity of nanomaterials, an advanced computational characterization of these materials has been proposed and applied to titanium dioxide nanoparticles. The characteristics of nanoparticles and bionano interface are computed using a systematic multiscale approach relying only on information on chemistry and structure of the nanoparticles., Comment: Data tables available on request

In partnership with the Memorial University of Newfoundland, the Vista School District, 1 of 10 districts in Newfoundland, Canada, established the Vista School District Digital Intranet (VSDDI) to deliver Web-based advanced placement courses to rural students. Advanced placement mathematics, physics, biology, and chemistry courses are delivered via a district digital intranet that connects all district senior high schools and the Memorial University of Newfoundland. Each participating school has a school intranet linked to a satellite dish that provides access to the VSDDI intranet and the Internet. Instruction includes both synchronous and asynchronous components. Synchronous instruction allows students in multiple, rural schools to communicate in real time with each other and with their instructor, using whiteboards, chat, video, and voice communication. The asynchronous component provides student access to lessons, a bulletin board, private email, a calendar, tests, presentations, individual evaluation records, and a software package that allows students and instructors in separate schools and different times to take part in a virtual classroom discussion. As of September 1999, the program has been expanded to 5 of the 10 school districts in Newfoundland. The URL is included. (TD)

A finite element model has been created that simulates the magnetic actuation of a cobalt-iron covered, 0.5micron thick, silicon nitride micro-shutter. The micro-shutter will be used as a transmissible filter in a space-based Multi-object Spectrograph (MOS). A laminated tri-pole permanent magnet is scanned across an array of shutters. The applied magnetic force twists the shutter's torsion hinge and actuates the shutter from the closed, 0 degree position, to the open, 90 degree position. A sequential analysis method was selected. This method uses the interaction between the magnetic and structural fields and is accomplished via the load vectors. The simulation results are compared to experimental measurements of fabricated micro-shutter devices.