in this work some quantitative structure activity relationship models were developed for prediction of three bioenvironmental parameters of 28 volatile organic compounds, which are used in assessing the behavior of pollutants in soil. these parameters are; half-life, non dimensional effective degradation rate constant and effective péclet number in two type of soil. the most effective descripto...

We propose a new approach for force field optimizations which aims at reproducing dynamics characteristics using biomolecular MD simulations, in addition to improved prediction of motionally averaged structural properties available from experiment. As the source of experimental data for dynamics fittings, we use (13) C NMR spin-lattice relaxation times T1 of backbone and sidechain carbons, whic...

A fully relativistic modified gravitational theory including a fifth force skew symmetric field is fitted to the Pioneer 10/11 anomalous acceleration. The theory allows for a variation with distance scales of the gravitational constant G, the fifth force skew symmetric field coupling strength ω and the mass of the skew symmetric field μ = 1/λ. A fit to the available anomalous acceleration data ...

Force production by type IV pilus retraction is critical for infectivity of Neisseria gonorrhoeae and DNA transfer. We investigated the roles of pilus number and the retraction motor, PilT, in force generation in vivo at the single-molecule level and found that individual retraction events are generated by a single pilus fiber, and only one PilT complex powers retraction. Retraction velocity is...

The molecular processes based on the specific receptor-ligand interactions (e.g. immune response to a foreign antigen, communication between nerve cells, etc.) are essential for a good and stable performance of living organisms. The aim of the present work is to study such molecular processes with the Atomic Force Microscope (AFM) operated in Force Spectroscopy (FS) mode. Information such as th...

in this paper, by numerical simulation of gas flow, effects of divergence angles on the amplification factor, side force and thrust vector magnitude of a moveable nozzle with supersonic split line have been investigated. the study is conducted for constant exit to throat area ratio and the location of the split line is also constant. the finite volume method with second order upwind scheme for ...

Predicting the force exerted on an object as it penetrates a granular medium is of interest in engineering, locomotive, and geotechnical applications. Current models drag, however, vary widely applicability parameterization, physical origin resistive itself subject debate. Here we perform constant speed penetration experiments, combined with calibrated, large-scale molecular dynamics simulation...

Cell adhesion complexes (CACs), which are activated by ligand binding, play key roles in many cellular functions ranging from cell cycle regulation to mediation of cell extracellular matrix adhesion. Inspired by single molecule pulling experiments using atomic force spectroscopy on leukocyte function-associated antigen-1 (LFA-1), expressed in T-cells, bound to intercellular adhesion molecules (...

The structure of CeO2 films grown on (1102) sapphire and on YBCO thin films was investigated. The films reported on here were grown by pulsed excimer laser deposition and their surface structure was probed using atomic force microscopy. We found that CeO2 films grown on sapphire were epitaxial with a granular structure which is smooth on an atomic scale. We see evidence of a surface reconstruct...