Photophysical properties of a 1,2,3,4,5,6-hexasubstituted fullerene derivative

The photophysical properties of a novel 1,2,3,4,5,6-hexasubstituted fullerene derivative (1) are examined in this study. In addition to the ground state absorption spectrum of 1, we report its triplet-triplet absorption spectrum and molar extinction coefficient (Deltae(T-T)), as well as the triplet quantum yield (PhiT), lifetime (tauT), and energy (ET). The saturation of a single six-member ring on the fullerene cage results in significant changes in the triplet state properties as compared to that of pristine C60. The triplet-triplet absorption spectrum shows a hypsochromic shift in long wavelength absorption, and both the triplet state lifetime and the triplet quantum yield are decreased. The triplet energy was found to be similar to that of C60. In addition, the quantum yield (PHI(delta)) of singlet oxygen generated by 1 was calculated and is found to be significantly less than in the case of C60.     

Wetting and interfacial adsorption in the Blume-Capel model on the square lattice

The structural and electronic properties of Cu_5-1 and Cu_6-1 nanowires with core-shell structures encapsulated inside a series zigzag (n,0) BeONTs denoted by Cu_5-1@(n,0) and Cu_6-1@(n,0) are investigated using the first-principles calculations within the generalized-gradient approximation. For Cu_5-1@(n,0) (10 ? n ? 17) and Cu_6-1@(n,0) (11 ? n ? 18) combined systems, the initial shapes (cylindrical BeONTs and CuNWs) are preserved without any visible change after optimization. The quantum conductances 5G ₀ and 6G ₀ of the most stable Cu_5-1@(12,0) and Cu_6-1@(13,0) combined systems are identical to the corresponding free-standing Cu_5-1 and Cu_6-1 nanowires, respectively. The energy bands crossing the Fermi level in both the Cu_5-1@(12,0) and Cu_6-1@(13,0) combined systems are all originated from the inner CuNWs. Therefore the electron transport will occur only through the inner CuNWs and the outer inert BeONTs serves well as an insulating cable sheath. The robust quantum conductance of the Cu_5-1 and Cu_6-1 nanowires, the insulating protection character of the (12,0) and (13,0) BeONTs and the highest stability of the tube-wire combined systems make the Cu_5-1@(12,0) and Cu_6-1@(13,0) combined systems are top-priority in the ULSI circuits and MEMS devices that demand steady transport of electrons.     

A dynamic micromixer for arbitrary control of disguised chemical selectivity

A new type of dynamic micromixer combining the concepts of parallel multi-lamination and hydrodynamic focusing was developed for arbitrary control of disguised chemical selectivity.     

A Novel Copper Chelate Catalyzed Ring Closure Reaction of 1,2-Bisketenes with Alcohols To Give 5-Alkoxy-2,3-dihydrofuran-2-ones

Copper complexes with distorted tetrahedral structure in solution catalyze regioselectively the cyclization of 1,2-bisketenes with alcohols to give 5-alkoxy-2,3-dihydrofuran-2-ones in very high yields (shown on the right). It seems remarkable that these new compounds could remain undiscovered despite having structural similarities with a great number of well-investigated and biologically active butenolides.     

Phenolic compounds,essential oil composition,and antioxidant activity of Angelica purpurascens (Avé-Lall.) Gill

In this study, methanol extracts (MEs) and essential oil (EO) of Angelica purpurascens (Avé-Lall.) Gill obtained from different parts (root, stem, leaf, and seed) were evaluated in terms of antioxidant activity, total phenolics, compositions of phenolic compound, and essential oil with the methods of 2,2-azino-bis(3ethylbenzo-thiazoline-6-sulfonic acid (ABTS•⁺), 2,2-diphenyl-1-picrylhydrazil (DPPH•) radical scavenging activities, and ferric reducing/antioxidant power (FRAP), the Folin–Ciocalteu, liquid chromatography−tandem mass spectrometry (LC−MS/MS), and gas chromatography-mass spectrometry (GC−MS), respectively. The root extract of A. purpurascens exhibited the highest ABTS•⁺, DPPH•, and FRAP activities (IC₅₀: 0.05 ± 0.0001 mg/mL, IC₅₀: 0.06 ± 0.002 mg/mL, 821.04 ± 15.96 µM TEAC (Trolox equivalent antioxidant capacity), respectively). Moreover, EO of A. purpurascens root displayed DPPH• scavenging activity (IC₅₀: 2.95 ± 0.084 mg/mL). The root extract had the highest total phenolic content (438.75 ± 16.39 GAE (gallic acid equivalent), µg/mL)). Twenty compounds were identified by LC−MS/MS. The most abundant phenolics were ferulic acid (244.39 ± 15.64 μg/g extract), benzoic acid (138.18 ± 8.84 μg/g extract), oleuropein (78.04 ± 4.99 μg/g extract), and rutin (31.21 ± 2.00 μg/g extract) in seed, stem, root, and leaf extracts, respectively. According to the GC−MS analysis, the major components were determined as α-bisabolol (22.93%), cubebol (14.39%), α-pinene (11.63%), and α-limonene (9.41%) among 29 compounds. Consequently, the MEs and EO of A. purpurascens can be used as a natural antioxidant source.     

Droplets in two-dimensional Ising and Potts models

Droplets on a wall and droplets around a nucleus in the center of the lattice are studied in the two-dimensional Ising and three-state Potts models using Monte Carlo techniques. Finite-size effects are discussed by applying a scaling argument and by relating the shape of a droplet to a random walk.     

Ising models with interfaces,defect lines,and walls

The transverse fluctuations of meandering interfaces in two-dimensional SOS models containing walls and defect lines may lead to a singularity in the correlation function. Corresponding Ising models below the bulk critical temperature are studied using an exact analytical transfermatrix method and Monte Carlo simulations. Typically, a rather smooth behaviour is observed in static and dynamic quantities.     

Critical Binder cumulant of two-dimensional Ising models

The fourth-order cumulant of the magnetization, the Binder cumulant, is determined at the phase transition of Ising models on square and triangular lattices, using Monte Carlo techniques. Its value at criticality depends sensitively on boundary conditions, details of the clusters used in calculating the cumulant, and symmetry of the interactions or, here, lattice structure. Possibilities to identify generic critical cumulants are discussed.     

Compton scattering by the proton through θcms = 75° and 90° in the Δ-resonance region

Differential cross sections for Compton scattering by the proton have been measured in the energy interval between 200 and 500 MeV at scattering angles of θcms = 75° and θcms = 90° using the CATS, the CATS/TRAJAN, and the COPP setups with the Glasgow Tagger at MAMI (Mainz). The data are compared with predictions from dispersion theory using photo-meson amplitudes from the recent VPI solution SM95. The experiment and the theoretical procedure are described in detail. It is found that the experiment and predictions are in agreement as far as the energy dependence of the differential cross sections in the Δ-range is concerned. However, there is evidence that a scaling down of the resonance part of the M1+3/2 photo-meson amplitude by (2.8 ± 0.9)% is required in comparison with the VPI analysis. The deduced value of the M1+3/2-photoproduction amplitude at the resonance energy of 320 MeV is: |M1+3/2| = (39.6 ± 0.4) × 10−3 mπ+−1.