Theoretical analysis and Computer simulations have proven to be cost-effective and powerful tools in scientific studies of materials, particularly at nano-scale where synthesis of nano-structures, interpretation of their observed character and exploration of new structures are not always straight forward. We present here fundamental principles of techniques used today for computational simulati...

Abstract Diffusion noise is a major source of spectral line broadening in liquid state nano-scale nuclear magnetic resonance with shallow nitrogen-vacancy centres, whose main consequence limited resolution. This limitation arises by virtue the widely accepted assumption that spin signal correlations decay exponentially nano-NMR. However, more accurate analysis diffusion shows survive for longer...

Anatoxin-a (ANTX) is a neurotoxin produced by several freshwater cyanobacteria and implicated in lethal poisonings of domesticated animals and wildlife. The factors leading to its production in nature and in culture are not well understood. Resource availability may influence its cellular production as suggested by the carbon-nutrient hypothesis, which links the amount of secondary metabolites ...

The electronic structures and stability of nitrogen nanostructures, nanotubes, and fiberlike nanoneedles of various diameters, formed by units N2m (m = 2-6), were studied by quantum chemistry computational modeling methods. The geometrical structures with various cross-sections and terminal units, their energetic stability, and their rather peculiar electron density distributions were investiga...

For modern agriculture Food Production Systems (FPS) to feed the expanding population, improving Nutrient Usage Efficiency (NUE) with little environmental risk has become essential. A novel approach problem of poor or falling Use a impact emerged: nanotechnology nanoscale inputs for development Nano Agri-Inputs (NAIPs). The study holds great promise providing intensive long-lasting solutions it...