Support for multiscale simulations with molecular dynamics

We present a reusable solution that supports users in combining single-scale models to create a multiscale application. Our approach applies several multiscale programming tools to allow users to compose multiscale applications using a graphical interface, and provides an easy way to execute these multiscale applications on international production infrastructures. Our solution extends the general purpose scripting approach of the GridSpace platform with simple mechanisms for accessing production resources, provided by the Application Hosting Environment (AHE). We apply our support solution to construct and execute a multiscale simulation of clay-polymer nanocomposite materials, and showcase its benefit in reducing the effort required to do a number of time-intensive user tasks. © 2013 The Authors. Published by Elsevier B.V

Reduktaza azotanowa siewek pszenzyta ozimego

Nitrite reductase (NiR) was extracted from seedlings of winter triticale cultivar Moreno in the form of homogenous protein fraction with molecular weight of about 61 kDa, characterised by maximum of absorption at 280 and 390 nm. Differences in specific activity of enzyme isolated from plants cultivated in different conditions (garden soil, Hoagland's diet) suggest that NiR may be induced by light and nitrate ions presence in arable medium

Zmiany w zawartosci wybranych frakcji bialka izolowanego z siewek pszenzyta jarego poddanego dzialaniu niskiej temperatury

The obtained results indicate that in analysed seed leaves of seedlings of spring triticale ‘Kargo’ cultivar exposed to low temperature occurs a statistically significant decrease in total protein content, comparing to the control. Similar results were showed by analysing the concentration of this protein fraction in propagation joints and roots of seedlings of spring triticale ‘Kargo’ (exception propagation joints after 24 h of exposition to low temperature). Simultaneously a statistically significant increase in soluble protein content in seed leaves was found (exception 12 h of exposition to low temperature) and propagation joints after 12 h of their exposition, comparing to the control plants. Moreover, statistical analysis showed a significant increase in concentration of this protein fraction in roots of seedlings exposed to coldness after 1 and 12 h, comparing to the control