Location and orientation of the N,N-diisopropylethylamine template molecule in the AlPO4-18 framework by X-ray synchrotron diffraction and molecular modelling

Phase pure AlPO4 with the AlPO4-18 (AEI) structure was synthesised using N,N-diisopropylethyla-mine as a template. Using a combination of X-ray powder diffraction and computational methods, the location and orientation of the N,N-diisopropylethylamine molecules inside the cages of the AEI structure were determined. Thermogravimetric analysis confirmed that the number of template molecules per unit cell was consistent with the diffraction study. We unequivocally show that only one template molecule is present in each cage of the crystalline AEI material. Our work demon-strates that a combined approach enables accurate structure resolution of such complex materials.     

Local electronic and electrical properties of functionalized graphene nano flakes

Based on experimental findings models of amorphous graphene related carbon materials were generated using graphene nano flakes. On the optimized structures detailed local electronic properties were investigated using density functional theory. The electrical conductivities of all these models were also estimated using an in-house program based on tight-binding method. The calculated electrical conductivity values of all the models agreed well with the trend of calculated energy gap and graphitic character.     

Relation Between CPT Violation in Neutrino Masses and Mixings

The neutrino parameters determined from the solar neutrino data and the anti-neutrino parameters determined from KamLAND reactor experiment are in good agreement with each other. However, the best fit points of the two sets differ from each other by about 10⁻⁵ eV² in mass-square difference and by about 2° in the mixing angle. Future solar neutrino and reactor anti-neutrino experiments are likely to reduce the uncertainties in these measurements. This, in turn, can lead to a signal for CPT violation in terms a non-zero difference between neutrino and anti-neutrino parameters. In this paper, we propose a CPT violating mass matrix which can give rise to the above differences in both mass-squared difference and mixing angle and study the constraints imposed by the data on the parameters of the mass matrix.     

Stereoselective synthesis of beta-substituted phenylalanine-beta-phenylisoserine-derived tripeptides using N-cinnamoyl-L-proline as template: synthesis of structural analogues of HIV protease inhibitors

N-Cinnamoyl-L-proline can be used as a template on which beta-substituted phenylalanine and beta-phenylisoserine residues can be synthesized leading to tripeptide derivatives as structural analogues of HIV protease inhibitors.     

First structural characterization of core modified 10,15-meso aryl azuliporphyrins: observation of C-H...pi interaction between pyrrole beta-CH and mesityl ring

First successful syntheses and structural characterization of new core modified meso aryl azuliporphyrins by a simple [3 + 1] methodology are reported.