Structures of xantholides A and B,two new guaianolides from xanthium canadense mill.

The structures of xantholides A and B were deduced on the basis of IR and NMR spectra, and confirmed by X-ray analysis. Xantholide A inhibited the larval growth of Drosophila melanogaster.     

Mössbauer study of the fraction of non-bridging oxygens in potassium borate glasses

A Mössbauer study was performed to find the fraction of non-bridging oxygens in potassium borate glasses containing a small amount of iron. The borate glasses with alkali contents of 15, 20, 25, 30 and 40 mol% were irradiated with ⁶⁰Co-γ rays at room temperature in a nitrogen atmosphere. The Mössbauer absorption area for the irradiation-induced Fe²⁺ increased with the total γ-ray dose in the range of 1 × 10⁶ ?2 × 10⁸ R, and became constant after irradiation ranging from 2 × 10⁸ R ? 1 × 10⁹ R. The absorption area for the Fe²⁺ at the saturated region was correlated with the difference in the glass structure, i.e., the fraction of the non-bridging oxygens was estimated from the increased absorption area for the Fe²⁺ as a function of the alkali content of the glasses. The fraction of the non-bridging oxygen increased with the alkali content of the glasses in the alkali region above 20 mol%, and about 14% of the fraction was obtained for an alkali content of 40 mol%.     

Application of pattern recognition to structure-activity problems: Use of minimal spanning tree

A graph-theoretical algorithm based on the minimal spanning tree (MST) is applied to structure—activity problems. The method is helpful in interpreting the results of cluster analysis, and becomes useful by combining with the mapping method that illustrates approximations of a multidimensional data structure. The antibacterial spectra of cephalosporins are analyzed by the MST approach and a linear mapping method. The main diameter obtained by MST gives the representative data set and clarifies the substituent effect on the antibacterial spectra. Relations between the central nervous system activity of benzodiazepine derivatives and their physicochemical parameters are also analyzed by MST and nonlinear mapping methods. These results for cephalosporins and benzodiazepines prove that MST is very useful in understanding the position of compounds in feature space and their activities.     

Azulenophanes V synthesis and physical properties of [2](5,7)azuleno[2]para- and metacyclophanes

The title compounds $\text{3}$ and $\text{4}$ were synthesized by the usual dithia[3.3]phane coupling and photodesulfurization route. Investigation of their physical properties established their molecular dimension and conformation. Transannular interaction disclosed by their electronic spectra was explained by MO calculations.     

Network images of drainage channels in sea spray icing by MR microscopy

An MR imaging system was developed to visualize brine drainage channels in sea spray icing. Brine pockets trapped in spray-ice matrices during ice growth are structural features of sea spray icing. Brine in the spray ice sample had drained out; therefore, using a suction pump, we filled the air gaps in the drainage channels with dodecane. In the experiments, 0.5-1.0 h was necessary to accumulate signals sufficient to obtain a 3-D micro-image; the image matrix comprised 128(3) voxels (each voxel was 200 microm per side). The MIP view showed that sea spray icing has a developed drainage-channel network structure.     

Polymer-supported bisBINOL ligands for the immobilization of multicomponent asymmetric catalysts

[reaction: see text] Polymer-supported bisBINOL ligands were successfully utilized for the immobilization of multicomponent asymmetric catalysts. The polymer-supported Al-Li-bis(binaphthoxide) (ALB) catalyst was more effective than the dendrimer-supported ALB in the Michael reaction of 2-cyclohexen-1-one with dibenzyl malonate affording the adduct in 91% yield with 96% ee. The polymer was also effective for the immobilization of a mu-oxodititanium complex that promoted carbonyl-ene reaction of ethyl glyoxalate with alpha-methyl styrene to provide the adduct with up to 98% ee.     

Initial-state parton shower kinematics for NLO event generators

We are developing a consistent method to combine tree-level event generators for hadron collision interactions with those including one additional QCD radiation from the initial-state partons, based on the limited leading-log (LLL) subtraction method, aiming at an application to NLO event generators. In this method, a boundary between non-radiative and radiative processes necessarily appears at the factorization scale (μ_F). The radiation effects are simulated using a parton shower (PS) in non-radiative processes. It is therefore crucial in our method to apply a PS which well reproduces the radiation activities evaluated from the matrix-element (ME) calculations for radiative processes. The PS activity depends on the applied kinematics model. In this paper we introduce two models for our simple initial-state leading-log PS: a model similar to the ’old’ PYTHIA-PS and a p_T-prefixed model motivated by ME calculations. PS simulations employing these models are tested using W-boson production at LHC as an example. Both simulations show a smooth matching to the LLL subtracted W+1 jet simulation in the p_T distribution of W bosons, and the summed p_T spectra are stable against a variation of μ_F, despite that the p_T-prefixed PS results in an apparently harder p_T spectrum.     

Spin-lattice relaxation times of bound water—Its determination and implications for tissue discrimination

Measurements were made of T1 of bound water (T1b) and bound water fraction () for gelatin solutions and human tissues (sera, brain tumor, cerebral white matter). Bound water fraction in each sample was measured by means of thermal analysis (differential scanning calorimetry: DSC). T1 values were measured by FONAR QED 80-. T1b values were calculated by an equation derived from the fast-exchange two-state model. In the study of gelatin solutions, the relationship between T1 and water content differed depending on the sort of solutions. This was considered to be due to differences in T1b values. In each biological tissue the values of T1b and had different distributions. These results indicate that values of T1b and for biological tissues may be altered in correspondence to the changes in pathophysiological states in those tissues.