Analysis of scintigrams using fuzzy theory

Textural features for phantom images were extracted. Texture parameters which represent RI distribution--skew, energy, entropy and angular second moment were used. But, it was difficult to analyse the images using discriminant analysis for textural features, because textural features had statistical noise. Therefore fuzzy reasoning was adapted to analyse the images. Textural features for six kinds of images were showed using membership function. The possibility to the image was evaluated using the value of membership function on each images. Fuzzy reasoning could be done easily using max-min composition formula. The reasoning was found more suitable to analyse the images than discriminant analysis and will be considered useful for analysis of clinical scintigrams.     

Catalytic Active Site for NO Decomposition Elucidated by Surface Science and Real Catalyst

Comprehensive studies combining surface science and real catalyst were performed to get further insight into catalytic active site and reaction mechanism for NO decomposition over supported palladium and cobalt oxide-based catalysts. On palladium single-crystal model catalysts, adsorption, dissociation and desorption behavior of NO was found to be closely related to the surface structures, the stepped surface palladium being active for dissociation of NO. In accordance with this result, the activity of powder Pd/Al₂O₃ catalysts for NO decomposition was directly related to the number of step sites exposed on the surface, suggesting that the step sites act as the catalytic active site for NO decomposition on Pd/Al₂O₃. NO decomposition over cobalt oxide was found to be significantly promoted by addition of alkali metals. Surface science study and catalyst characterization led to the same conclusion that the interface between the alkali metal and Co₃O₄ serves as the catalytic active site. From the results of in situ Fourier transform infrared (FT-IR) spectroscopy and isotopic transient kinetic analysis, a reaction mechanism was proposed in which the reaction is initiated by NO adsorption onto alkali metals to form NO₂⁻ species and then NO₂⁻ species react with the adsorbed NO species to form N₂ over the interface between the alkali metal and Co₃O₄.     

Inter- and intramolecular activation of aromatic C-H bonds by diphosphine and hydrido-bridged dinuclear iridium complexes

Reactions of [(Cp*Ir)2(mu-dmpm)(mu-H)2]2+ (1) with NaOtBu in aromatic solvent at room temperature give [(Cp*Ir)(H)(mu-dmpm)(mu-H)(Cp*Ir)(Ar)]+ [Ar = Ph (3), p-Tol (4a), m-Tol (4b), 2-furanyl (5a), 3-furanyl (5b)] via intermolecular aromatic C-H activation. Treatment of [(Cp*Ir)2(mu-dppm)(mu-H)2]2+ (2) with base (Et2NH) results in intramolecular C-H activation of the phenyl group in the dppm ligand to give [(Cp*Ir)(H){mu-PPh(C6H4)CH2PPh2}(mu-H)(Cp*Ir)]+ (6). The structures of 3, 5a, and 6 have been determined by X-ray diffraction methods.     

Fluorescent Molecular Recognition and Sensing System of Bis-Dansyl Modified γ-Cyclodextrins

Flexible hosts, 6A,6B-; 6A,6C-; 6A,6D-; and 6A,6E-bis dansylglycine-modified -cyclodextrins (-1, -2, -3, and -4, respectively) have been synthesized as a sensing molecule for organic guests including terpenoids and bile acids. These host compounds show a pure monomer fluorescence whose intensity is decreased or enhanced upon addition of guest species. The value I/I₀, where I and I₀ are fluorescence intensities in the presence and absence of a guest and I is I₀- I, was used as a parameter of sensitivity. These hosts exhibit highly sensitive and selective molecular recognition ability, particularly, for lithochoic acid, chenodeoxycholic acid, and ursodeoxycholic acid. The behaviors of the appended moieties of these hosts when host–guest complexation occurs are studied by induced circular dichroism (ICD) spectra and fluorescence spectral change on accommodation of a guest. The ICD pattern of these hosts alone or on accommodation of a guest is very similar, indicating that the behavior of the appended moieties are very similar. The guest-induced variations in the fluorescence or ICD intensity suggest that the appended moieties act as a hydrophobic cap that enables the cyclodextrin to form 1 : 1 host–guest complexes.     

Small-angle x-ray scattering from solution of rodlike particles with length distribution

The scattering function of rods with a constant radius, 8 Å, and a length distribution of the Schulz–Zimm type was calculated on a computer as a model of helical synthetic polypeptide. The influence of length and length distribution on the scattered intensity of small-angle x-ray scattering was clarified. As length grows and length distribution broadens it is difficult to obtain reliable values of molecular weight and radius of gyration from a Zimm plot. The influence of length distribution on the mass per unit length, M_q, and the radius of gyration of the cross section, 〈S〉^1/2, from the Guinier plot of the cross-sectional factor decreases as the length increases, and reliable values of M_q and 〈S〉^1/2 can be obtained even for rods with wide distribution for rods more than 600 Å long. In particular, it is pointed out that the value of 〈S〉^1/2 is little influenced by length and length distribution.     

Cytotoxic diterpenoids from Vietnamese medicinal plant Croton tonkinensis GAGNEP

Six new ent-kaurane-type diterpenoids were isolated from the leaves of the endemic Vietnamese medicinal plant Croton tonkinensis GAGNEP. (Euphorbiaceae) together with three known ent-11alpha-acetoxy-7beta,14alpha-dihydroxykaur-16-en-15-one (1), ent-kaur-16-en-15-one 18-oic acid (5) and ent-18-hydroxykaur-16-ene (7). Their structures were determined by spectroscopic analyses to be ent-7beta-acetoxy-11alpha-hydroxykaur-16-en-15-one (2), ent-18-acetoxy-11alpha-hydroxykaur-16-en-15-one (3), ent-11alpha-acetoxykaur-16-en-18-oic acid (4), ent-15alpha,18-dihydroxykaur-16-ene (6), ent-11alpha,18-diacetoxy-7beta-hydroxykaur-16-en-15-one (8), and ent-(16S)-1alpha,14alpha-diacetoxy-7beta-hydroxy-17-methoxykauran-15-one (14). ent-Kaurane-type diterpenoids from Croton tonkinensis 2-4, 6, and 9-13, were tested for toxicity in the brine shrimp lethality assay. Compounds 9, 10, and 12 demonstrated significant activity, compounds 2, 3, 6, and 11 showed weak activity, and compounds 4 and 13 were inactive.     

Supramolecular assembly based on π-π stacking and π-cation interactions between thiacalix[6]arene and DMF

The molecular assembly of thiacalix[6]arene was formed by π-π stacking and π-DMF interactions between thiacalix[6]arene and adjoining thiacalix[6]arene and between thiacalix[6]arene and DMF, respectively. The X-ray crystal analysis also revealed that hydroxyl groups of thiacalix[6]arene adopted novel two sets of hydrogen bond with two DMF and intramolecular hydrogen bond between phenolic units, which cause to make 1,2,3-alternate configuration structure of thiacalix[6]arene.     

Carbapenem and penem antibiotics. VI. Synthesis and antibacterial activity of 2-heteroaromatic-thiomethyl and 2-carbamoyloxymethyl 1-methylcarbapenems

The synthesis and antibacterial activity of the 1-methylcarbapenems, 2-heteroaromatic-thiomethyl and 2-carbamoyloxymethyl derivatives having a 6-[(R)-1-hydroxyethyl] side chain, are described. The introduction of a methyl substituent at the C-1 position was accomplished by a newly developed procedure using crotyl halides and zinc dust. The 2-hydroxymethyl carbapenems as key intermediates allowed an easy entry into the preparation of title carbapenems.     

Lewis acid-catalyzed asymmetric hydroxymethylation of silicon enolates in aqueous media

Asymmetric hydroxymethylation of silicon enolates with formaldehyde in aqueous media has been achieved using praseodymium triflate and a chiral crown ether. Formaldehyde aqueous solution can be directly used for the reactions, and a water/THF mixture was found to be the best solvent system. This is the first example of catalytic asymmetric hydroxymethylation of silicon enolates.     

The Raman and infrared spectrum of hexachloro-disilazane

The Raman and IR spectra of hexachlorodisilazane were measured, and the assignment carried out by comparison with those of the structurally related compounds, hexachlorodisiloxane, hexachlorodisilane and dimethylamine. The vibrational spectra of hexachlorodisilazane are very closely related to those of hexachlorodisiloxane, hexachlorodisilane and dimethylamine, and can be interpreted in terms of a non-rigid D_3d symmetry with an internal rotation.