Synthesis and applications of novel bis(ammonium) chiral ionic liquids derived from isomannide

Carbohydrate-based novel bis(ammonium) chiral ionic liquids have been synthesized by following a straightforward protocol using isomannide as the substrate. Their applications in chiral discrimination and optical resolution of racemates have been established.     

Multifractal analysis of divergence points of deformed measure theoretical Birkhoff averages. II: Non-linearity, divergence points and Banach space valued spectra

During the past 10 years multifractal analysis has received an enormous interest. For a sequence n(φn) of functions φn:X→M on a metric space X, multifractal analysis refers to the study of the Hausdorff dimension of the level sets

     

Screening a fragment cocktail library using ultrafiltration

Ultrafiltration provides a generic method to discover ligands for protein drug targets with millimolar to micromolar K(d), the typical range of fragment-based drug discovery. This method was tailored to a 96-well format, and cocktails of fragment-sized molecules, with molecular masses between 150 and 300 Da, were screened against medical structural genomics target proteins. The validity of the method was confirmed through competitive binding assays in the presence of ligands known to bind the target proteins.     

Population,characteristics and kinematics of vortices in a confined rectangular jet with a co-flow

Vortex behavior and characteristics in a confined rectangular jet with a co-flow were examined using vortex swirling strength as a defining characteristic. On the left side of the jet, the positively (counterclockwise) rotating vortices are dominant, while negatively rotating vortices are dominant on the right side of the jet. The characteristics of vortices, such as population density, average size and strength, and deviation velocity, were calculated and analyzed in both the cross-stream direction and the streamwise direction. In the near-field of the jet, the population density, average size and strength of the dominant direction vortices show high values on both sides of the center stream with a small number of counter-rotating vortices produced in the small wake regions close to jet outlet. As the flow develops, the wake regions disappear, these count-rotating vortices also disappear, and the population of the dominant direction vortices increase and spread in the jet. The mean size and strength of the vortices decrease monotonically with streamwise coordinate. The signs of vortex deviation velocity indicate the vortices transfer low momentum to high-velocity region and high momentum to the low velocity region. The developing trends of these characteristics were also identified by tracing vortices using time-resolved particle image velocimetry data. Both the mean tracked vortex strength and size decrease with increasing downstream distance overall. At the locations of the left peak of turbulent kinetic energy, the two-point spatial cross-correlation of swirling strength with velocity fluctuation and concentration fluctuation were calculated. All the correlation fields contain one positively correlated region and one negatively correlated region although the orientations of the correlation fields varied, due to the flow transitioning from wake, to jet, to channel flow. Finally, linear stochastic estimation was used to calculate conditional structures. The large-scale structures in the velocity field revealed by linear stochastic estimation are spindle-shaped with a titling stream-wise major axis.     

A theoretical approach to molecular single-electron transistors

We present theoretical methods and computational strategies of the effects of nanoparticles on linear optical properties of molecules. We present quantum mechanical-molecular mechanics response methods for calculating electromagnetic properties of molecules interacting with nanoparticles and we report strategies for calculating electronic and redox states of molecules sandwiched between gold nanoparticles.     

Biocatalytic deacylation studies on tetra-O-acyl-β-D-xylofuranosyl nucleosides: synthesis of xylo-LNA monomers

A Novozyme-435 catalytic methodology has been developed for selective deacylation of one of the acyloxy functions involving a primary -OH group over the other acyloxy functions involving primary and secondary -OH groups in 4'-C-acyloxymethyl-2',3',5'-tri-O-acyl-β-D-xylofuranosyl nucleosides. Optimization of the biocatalytic reaction revealed that tetra-O-butanoyl-β-D-xylofuranosyl nucleosides are the best substrates for the enzyme. The possibility of acyl migration during enzymatic deacylation reactions has been ruled out by carrying out biocatalytic deacylation reactions on mixed esters of 4'-C-hydroxymethyl-2',3',5'-tri-O-acetyl-β-D-xylofuranosyl nucleosides. The developed methodology has been used for the efficient synthesis of xylo-LNA monomers T, U, A, and C in good yields.     

Spontaneous enrichment of one-handed helices by dissolution of quasiracemic crystals of a tetranuclear single helical complex

The left-handed isomer of the helical complex [LZn(3)La(OAc)(3)] was spontaneously enriched from 50 : 50 to 87 : 13 when the quasiracemate crystals were dissolved. The invertible helicity of [LZn(3)La(OAc)(3)] (global chirality) helps the quasiracemate formation and the fixed point chirality of the R,R-cyclohexanediamine moiety (local chirality) effectively controls the global chirality in solution.     

From Exact Systems to Riesz Bases in the Balian�CLow Theorem

We look at the time–frequency localization of generators of lattice Gabor systems. For a generator of a Riesz basis, this localization is described by the classical Balian–Low theorem. We establish Balian–Low type theorems for complete and minimal Gabor systems with a frame-type approximation property. These results describe how the best possible localization of a generator is limited by the degree of control over the coefficients in approximations given by the system, and provide a continuous transition between the classical Balian–Low conditions and the corresponding conditions for generators of complete and minimal systems. Moreover, this holds for the non-symmetric generalizations of these theorems as well.