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This study reports a convenient and low cost paper-based analytical device (PAD) for measuring ammonium in soil. This PAD has been developed using an inexpensive UV resin solution, as a new hydrophobic material, with a screen-printing method to create hydrophobic areas. The paper-based colorimetric device was developed using a modified Berthelot reaction in which salicylate and dichloroisocyanurate are used in order to produce a green compound of 2-2 dicarboxyindophenol in the presence of ammonium. The concentration of ammonium is proportional to the intensity of the resulting green color, as analysed by ImageJ software. A variety of tests was carried out to optimize and evaluate various aspects of the PAD's fabrication and utilization. A linear range was obtained in the range of 10-100 mg L-1 with a limit of detection and limit of quantitation of 0.5 mg L-1 and 1.7 mg L-1, respectively. The relative standard deviation of intra-day measurements was 3.0% and the inter-day precision was 3.2% with good reproducibility. When recovery of ammonium added to samples was evaluated it ranged from 95.5 to 107.5%. The PAD was applied to detect ammonium in a variety of actual soil samples, and the results were validated against spectrophotometric results using a paired t-test, showing good accuracy. A convenient color comparison chart was also created on paper to enable the user to interpret the color results without the need for a color scanner. This developed PAD is fast, easy, inexpensive, and provides an alternative to existing methods for the determination of ammonium in soil.

Four novel amino acid-functionalised triphenylenes have been prepared with glycine, l-alanine, l-phenylalanine and l-tryptophan ethyl ester side-chains. The glycine derivative is a good gelator of chloroform, the alanine derivative gels ethanol and toluene, and the phenylalanine derivative gels benzene and toluene. The tryptophan derivative does not gel any of the solvents tested, most probably due to its more bulky structure, but forms microspheres by evaporation-induced self-assembly. The self-assembly properties of the π-gelators have been investigated using infrared, UV-absorption and fluorescence spectroscopy, concentration- and temperature-dependent NMR, and X-ray scattering experiments on dried xerogel as well as the wet organogel. The latter experiments suggest the glycine gel in chloroform includes columnar aggregates, with an overall disordered columnar oblique mesophase. These compounds are of interest because of the well-known hole-transporting properties of triphenylene liquid crystals: 1-D columnar assemblies of these compounds may find applications in organic electronic devices.

Molecular dynamics (MD) simulations of benzene in siliceous zeolites (FAU, ZSM-5, and MCM-22) were performed at loadings of 1, 2, 4, 8, and 16 molecules per supercell. The potential energy functions for these simulations were constructed in a semi-empirical way from existing potentials and experimental energetic data. The MD simulations were employed to analyze the dynamic properties of the benzene-zeolite systems. The adsorption energies of benzene/siliceous zeolite complexes increase with increasing loading number, due to the intermolecular attraction between benzene molecules. The self-diffusion coefficient of benzene in siliceous zeolites decreases with increasing loading due to the steric hindrance between the sorbates passing each other. From the zeolite-benzene radial distribution functions it was found that the benzene molecules are relatively far from each other, about 5.2A for siliceous FAU, 5.2A for siliceous ZSM-5, and 4.8A for siliceous MCM-22. In the case of FAU, the benzene molecules prefer to be adsorbed parallel to the surface of the sodalite cage above the six-membered-ring. In ZSM-5, we found a T-structure of the benzene molecules at loadings 2, 4, and 8 molecules per supercell. At loadings of 16 molecules per supercell, the molecules are lined up along the straight channel and their movement is highly correlated. For MCM-22 we found adjacent benzene molecules at a loading of 4 molecules with an orientation similar to the stacked conformation of benzene dimer in the gas phase.