Higher-order incidence transfer matrix method used in three-dimensional photonic crystal coupled-resonator array simulation

The plane-wave-based transfer matrix method with rational function interpolation and higher-order plane-wave incidence is proposed as an efficient calculation approach to simulate three-dimensional photonic crystal devices. As an example, the dispersion relations and quality factors are calculated for resonant cavity arrays embedded in a woodpile photonic crystal. An interesting ultraslow negative group velocity is observed in this structure.     

High-efficiency calculations for three-dimensional photonic crystal cavities

A numerical method was developed by combining a plane-wave-based transfer matrix method and a robust rational function interpolation algorithm. The optical properties of three-dimensional photonic crystal cavities were extracted in a short computation time with high numerical accuracy.     

Novel non-peptide GPIIb/IIIa antagonists: synthesis and biological activities of 2-[4-[2-(4-amidinobenzoylamino)-2-(substituted)acetyl]-3-(2-methoxy-2-oxoethyl)-2-oxopiperazinyl] acetic acids

To improve the in vitro and in vivo potency of our first low molecular weight GPIIb/IIIa antagonist 1 (TAK-029), a series of 2-[4-[2-(4-amidinobenzoylamino)-2-(substituted)acetyl]-3-(2-methoxy-2-oxoethyl)-2-oxopiper-azinyllacetic acids were synthesized through modification of the glycine moiety of 1 and evaluated for their ability to inhibit in vitro adenosine 5'-diphosphate (ADP)-induced platelet aggregation of guinea pig platelet rich plasma (PRP). Among the compounds examined, the (3S,2S)-4-methoxyphenylalanine derivative 4h showed the most potent antagonistic activity with an IC50 value of 13 nM. Dose-dependent inhibition of ex vivo platelet aggregation was achieved with oral administration of 4h (0.3-1.0 mg/kg) to guinea pigs. Complete inhibition was observed for up to 8 h, and 43% inhibition could still be observed 24 h after oral administration of 1.0 mg/kg. The long-lasting antiplatelet effect of 4h suggests that 4h would be suitable for once-a-day dosing. Structure-activity relationships (SAR) were examined in the series of the phenylalanine derivatives. An increase in the electron density around the 4-position of the phenyl ring of the phenylalanine moiety led to an increase in the antiplatelet activity, suggesting the existence of a hydrophobic and electrostatic interaction site in addition to the ionic binding sites in the GPIIb/IIIa.     

Magnetic structure and exchange interaction in DyCu2

Using the 12-sublattice model with Ising spin , we analyze the magnetization process of DyCu₂ theoretically. The necessary conditions for the exchange constants and the possible magnetic structures of DyCu₂ are suggested.     

Structural study on highly oxidized states of a water oxidation complex [RuIII(bpy)2(H2O)]2(mu-O)4+ by ruthenium K-edge X-ray absorption fine structure spectroscopy

The oxidation-induced structural change of a water-oxidizing diruthenium complex, [(bpy)(2)(H(2)O)Ru(III)(micro-O)Ru(III)(OH(2))(bpy)(2)](4+) (bpy = 2,2'-bipyridine), was investigated by means of X-ray absorption spectroscopy. Ru K-edge XANES (X-ray absorption near-edge structure) spectra from the acidic solution and solid precipitates obtained by oxidation showed that the absorption edge shifts toward higher energy with a preedge feature slightly more enhanced than those of the lower oxidation states. This indicates that the higher oxidation state has a lower symmetry due to shortening of the Ru-O bonds that originated from the water ligands. The EXAFS (extended X-ray absorption fine structure) spectra were similar to those of the lower oxidation states, whose analysis revealed the existence of short Ru-O double bonds and an almost linear Ru-O-Ru angle (169 +/- 2 degrees ). Ab initio EXAFS simulations for several possible structural models suggest that the dimeric structure is maintained during the water oxidation reaction.     

Phase diagram of a simple model of Eu p Sr1−p S

A random site Ising model on the checkerboard square lattice with first neighbor interactionsJ in all first neighbor bonds and second neighbor interactionsJ in red squares is considered as a simple model of the dilute spin glass of Eu _p Sr_1–p S. The phase boundary between the paramagnetic and ferromagnetic phases, and that between the paramagnetic and spin glass phases are calculated. The obtained phase diagram is qualitatively similar to the experimental result by Maletta and Convert.     

PHOTOACTIVE METHYLENE BLUE DYE DERIVATIVES SUITABLE FOR COUPLING TO PROTEIN

Methylene blue is a very strong photoactive dye that has an absorption peak (668 nm) that corresponds well to a popular low-cost diode laser. However, it has not been used in photodynamic tumor therapy and immunodiagnostics because it cannot be covalently coupled to protein. Therefore, methylene blue derivatives having a succinimido or maleimido functional group were synthesized and coupled to antibody, serum albumin and transfemn proteins. Incorporation of dye into antibody protein at high ratios (more than three per molecule) caused precipitation and loss of antibody activity. Inclusion of one or more carboxylic acid residues in the methylene blue derivative before coupling to protein alleviated the precipitation problem, and up to 36 methylene blue dye molecules could be attached to an antibody fragment using bovine serum protein as a carrier. Methylene blue derivatives and protein complexes formed from them oxidized luminol when stimulated with red light. The new dye conjugates were used in an optically pumped chemiluminescence immunoassay for α-fetoprotein. These compounds and techniques should also be useful for photodynamic tumor therapy where it is desired to attach a red-absorbing photoactive dye to antibody protein.     

ZEKE spectroscopy and theoretical calculations of copper-methylamine complexes

The copper-monomethylamine and -dimethylamine complexes were produced in a supersonic jet and examined using single-photon zero kinetic energy (ZEKE) photoelectron spectroscopy and theoretical calculations. The adiabatic ionization potentials (I.P.) of the complexes and vibrational frequencies of the corresponding ions were measured from their ZEKE spectra. The equilibrium geometries, binding energies, and vibrational frequencies of the neutral and ionized complexes were obtained from MP2 and B3LYP calculations. The observed vibrational frequencies of the ionic complexes were well-reproduced by both calculations, whereas the Franck-Condon intensity patterns of the spectra were simulated better by MP2 than B3LYP. The observed I.P. and vibrational frequencies of the Cu-NH(n)(CH3)(3-n) (n = 0-3) complexes were compared, and methyl substitution effects on their ZEKE spectra were discussed.     

Synthesis and reactivity of a bis(disulfide)-bridged RuMo3S4 double-cubane cluster: a new family of nona- or decanuclear mixed-metal sulfide clusters with two RuMo3S4 units

A bis(disulfide)-bridged RuMo3S4 double-cubane cluster [{(Cp*Mo)3(mu3-S)4Ru}(mu2-eta2:eta1-S2)]2[PF6]2 (2, Cp* = eta5-C5Me5) is readily available from cluster [(Cp*Mo)3(mu3-S)4RuH2(PPh3)][PF6] (1) and S8. The reactions of cluster 2 with [M(PPh3)4] (M = Pd, Pt) give rise to the formation of a new family of nona- or decanuclear mixed-metal sulfide clusters, [{(Cp*Mo)3(mu3-S)4Ru}2(mu3-S)2{Pd(S)(PPh3)}][PF6]2 (3), [{(Cp*Mo)3(mu3-S)4Ru}2(mu3-S)2{(Pd(PPh3))2(mu2-S)}][PF6]2 (4), and [{(Cp*Mo)3(mu3-S)4Ru}2(mu3-S)2{Pt(PPh3)2}][PF6]2 (5), with two RuMo3S4 cubane units, the structures of which have been determined by X-ray diffraction studies.