This work demonstrates the production of a well-controlled, chemical gradient on the surface of graphene. By inducing a gradient of oxygen functional groups, drops of water and dimethyl-methylphosphonate (a nerve agent simulant) are "pulled" in the direction of increasing oxygen content, while fluorine gradients "push" the droplet motion in the direction of decreasing fluorine content. The dire...

The adsorption of Sarin was systematically explored on a series transition metal (Zinc, Copper, Molybdenum, Vanadium and Chromium) embedded graphene by Density Functional Theory calculations. These computations revealed that carbon systems impregnated with Chromium, to lesser extent, Molybdenum show very high affinity towards this chemical warfare agent. In-depth analysis the interactions in ca...

A number of recent terrorist attacks make it clear that rapid response, high sensitivity and stability are essential in the development chemical sensors for detection warfare agents. Nerve agent sarin [2-(fluoro-methyl-phosphoryl) oxypropane] is an organophosphate (OP) compound recognized as one most toxic Considering sarin’s toxicity, being odorless colorless, dimethyl methylphosphonate (DMMP)...

Several oligothymidylates containing various ratios of phosphodiester and isopolar 5'-hydroxyphosphonate, 5'-O-methylphosphonate and 3'-O-methylphosphonate internucleotide linkages were examined with respect to their hybridization properties with oligoriboadenylates and their ability to induce RNA cleavage by ribonuclease H (RNase H). The results demonstrated that the increasing number of 5'-hy...

A new method to synthesise long-chain and functionalised methylphosphonate esters and the corresponding ionic liquids is reported. The synthesis comprises the formation of dialkyl methylphosphonate esters in a S(N)2 reaction followed by the use of these esters as alkylating agents to form the corresponding, new alkyl methylphosphonate ILs.

tio2 nanoparticles, as a photocatalyst for oxidation of dimethyl methylphosphonate (dmmp) as an organophosphorus simulant of chemical warfare agent, were prepared by using sol-gel method. the prepared nanoparticles were then modified with transition metals in order to decrease the electron-hole recombination and increase the photocatalytic activity. transition metal ions including pt, pd and ni...

TiO2 nanoparticles, as a photocatalyst for oxidation of dimethyl methylphosphonate (DMMP) as an organophosphorus simulant of chemical warfare agent, were prepared by using sol-gel method. The prepared nanoparticles were then modified with transition metals in order to decrease the electron-hole recombination and increase the photocatalytic activity. Transition metal ions including Pt...

Nematic liquid crystals make promising chemoresponsive systems, but their development is currently limited by extensive experimental screening. Here we report a computational model to understand and predict orientational changes of surface-anchored nematic liquid crystals in response to chemical stimuli. In particular, we use first-principles calculations to evaluate the binding energies of ben...