Crystalline inclusion compounds constructed through self-assembly of isonicotinic acid and thiocyanato coordination bridges

The synthesis, crystal structures, inclusion ability, and structural robustness of novel crystalline inclusion compounds of [Ni(SCN)2(isoH)2].xG (isoH = isonicotinic acid; G = aromatic guest) are described. The inclusion compounds are constructed by stacking identical 2D host layers that consist of SCN-, isoH, and Ni2+ with van der Waals contact separation. In the layer, two types of rectangular cavities (A-type and B-type) are formed, and the guests are included in the former cavity. The inclusion compounds were categorized into four stacking modes according to the difference in the stacking mode of the layers. A systematic investigation of the crystal structures of the 21 inclusion compounds clarified the close relationship between the molecular structure of the guest and the resultant stacking mode of the layers.     

Chiral norbornadienes as efficient ligands for the rhodium-catalyzed asymmetric 1,4-addition of arylboronic acids to fumaric and maleic compounds

[reaction: see text] A rhodium-catalyzed asymmetric 1,4-addition of arylboronic acids to fumaric and maleic compounds has been developed. While phosphorus-based chiral ligands fail to induce high stereoselectivity, chiral norbornadiene ligands have proved to be uniquely effective to achieve high enantioselectivity in these 1,4-addition reactions.     

Frequency dependence of acoustic properties of aqueous glucose solutions in the VHF/UHF range

The bioultrasonic spectroscopy system was employed for measurements of velocity and attenuation coefficient of glucose solutions in the VHF/UHF range. The relation between the slope of the square of velocity and the relaxation parameters, and the relation between the frequency exponent on attenuation coefficient and the relaxation parameters are investigated. In order to carry out numerical calculations, a model for a single relaxation process is employed, wherein the attenuation coefficient is expressed as (A/( 1 + (f/falpha)2) + B)f2 where falpha is the attenuation relaxation frequency, and A and B are constants. The numerical calculations show that the slope of the square of the velocity is determined uniquely by the velocity relaxation frequency fv and v(infinity)2 - v(0)2 where v0 is the zero-frequency velocity and v(infinity) is the infinite-frequency velocity, and that the frequency exponent on the attenuation coefficient is determined uniquely by falpha and A/B. For experimental considerations, the velocities and the attenuation coefficients of 5, 15, and 25% concentration aqueous solutions of glucose were measured in the frequency range 20 to 700 MHz. The data for the 5 and 15% aqueous solutions can be explained using the single relaxation model. However, the data for the 25% aqueous solution suggest the existence of multirelaxation processes.     

Interpretation of Hund's multiplicity rule for the carbon atom

Hund's multiplicity rule is investigated for the carbon atom using quantum Monte Carlo methods. Our calculations give an accurate account of electronic correlation and obey the virial theorem to high accuracy. This allows us to obtain accurate values for each of the energy terms and therefore to give a convincing explanation of the mechanism by which Hund's rule operates in carbon. We find that the energy gain in the triplet with respect to the singlet state is due to the greater electron-nucleus attraction in the higher spin state, in accordance with Hartree-Fock calculations and studies including correlation. The method used here can easily be extended to heavier atoms.     

Site-selective RNA scission at two sites for precise genotyping of SNPs by mass spectrometry

Short RNA fragments containing single nucleotide polymorphism (SNP) sites have been selectively clipped out of substrate RNA by using complementary DNA having two acridine residues and Lu(III), and the genotype of the substrate is accurately and easily determined by mass analysis of these fragments.     

Effects of superspreaders in spread of epidemic

Within the standard SIR model with spatial structure, we propose two models for the superspreader. In one model, superspreaders have intrinsically strong infectiousness. In other model, they have many social connections. By Monte Carlo simulation, we obtain the percolation probability, the propagation speed, the epidemic curve, the distribution of secondary infected and the propagation path as functions of population and the density of superspreaders. By comparing the results with the data of SARS in Singapore 2003, we conclude that the latter model can explain the observation.