Calculations of the Auger deexcitation rate of the dtμ within the muonic quasi-molecule, [(dtμ)dee]

A key process in muon catalysed fusion is the deexcitation of the dt within the resonant muonic quasi-molecule [(dt)dee], by emission of an Auger electron. The dt in the quasi-molecule is initially in a weakly bound excited state withJ=1 andv=1. In this paper, calculations taking full account of the molecular nature of the quasi-molecule are carried out of the rate of the dominant deexcitation to the state withJ=0 andv=1.     

A necessary and sufficient condition for oscillation of the generalized Liénard equation

Summary In this paper we consider the Liénard system x= y – F(x), y= – g(x) and give a necessary and sufficient condition under which all solutions oscillate.     

Antitumor-promoting constituents from Chaenomeles sinensis KOEHNE and their activities in JB6 mouse epidermal cells

Primary screening of antitumor-promoting activity using soft agar colony assays with JB6 cells was employed to isolate 22 compounds from Chaenomeles sinensis KOEHNE. These compounds were lyoniresinol-2a-O-alpha-L-rhamnopyranoside (1), lyoniresinol-2a-O-beta-D-glucopyranoside (2), aviculin (3), betulinic acid (4), betulin (5), 3-O-(E)-p-coumaroylbetulin (6), 3-O-(E)-caffeoylbetulin (7), 3-O-(Z)-p-coumaroylbetulin (8), 3-O-(E)-caffeoyllupeol (9), alphitolic acid (10), sorbikortal II (11), tormentic acid (12), euscaphic acid (13), corosolic acid (14), maslinic acid (15), erythrodiol (16), 1-beta-D-glucopyranosyloxy-3,4,5-trimethoxybenzene (17), avicularin (18), 7-O-beta-D-glucopyranosylkaempferol (19), 5-O-beta-D-glucopyranosylgenistein (20), 7-O-beta-D-glucopyranosylgenistein (21), epicatechin (22), and beta-sitosterol (23) and were identified using spectral data such as MS, (1)H- and (13)C-NMR. Compound 1, having a rhamnosyl group, showed greater activity than 2, having a glucosyl group, and 3, which was a bis-demethoxy derivative of 1. Betulinic acid (4), having a C-28 carboxyl group, 3-O-(E)-caffeoylbetulin (7), and tormentic acid (12) showed more potent activity than betulin (5), which has a C-28 hydroxymethyl group.     

Dye sensitization of nanocrystalline titanium dioxide with square planar platinum(II) diimine dithiolate complexes

A series of platinum-based sensitizers of the general type Pt(NN)(SS), where NN is 4,4'-dicarboxy-2,2'-bipyridine (dcbpy) or 4,7-dicarboxy-1,10-phenanthroline (dcphen) and SS is ethyl-2-cyano-3,3-dimercaptoacrylate (ecda), quinoxaline-2,3-dithiolate (qdt), 1,2-benzenedithiolate (bdt), or 3,4-toluenedithiolate (tdt), that have various ground-state oxidation potentials has been synthesized and anchored to nanocrystalline titanium dioxide electrodes for light-to-electricity conversion in regenerative photoelectrochemical cells with an I(-)/I(-)(3) acetonitrile electrolyte. The intense mixed-Pt/dithiolate-to-diimine charge-transfer absorption bands in this series could be tuned from 440 to 580 nm by choosing appropriate dithiolate ligands, and the highest occupied molecular orbitals varied by more than 500 mV. Spectrophotometric titration of the Pt(dcphen)(bdt) complex exhibits a ground-state pK(a) value of 3.2 +/- 0.1, which can be assigned to the protonation of the carboxylate group of the dcphen ligand. Binding of Pt(dcbpy)(qdt) to porous nanostructured TiO(2) films was analyzed using the Langmuir adsorption isotherm model, yielding an adsorption equilibrium constant of 4 x 10(5) M(-1). The amount of dye adsorbed at the surface of TiO(2) films was 9.5 x 10(-8) mol/cm(2), which is ca. 50% lower than the full monolayer coverage. The resulting complexes efficiently sensitized TiO(2) over a notably broad spectral range and showed an open-circuit potential of ca. 600 mV with an impressive fill factor of > 0.70, making them attractive candidates for solar energy conversion applications. The visible spectra of the 3,4-toluenedithiol-based sensitizers showed an enhanced red response, but the lower photocurrent efficiency observed for these sensitizers stems in part from a sluggish halide oxidation rate and a fast recombination of injected electrons with the oxidized dye.     

Photocatalytic water reduction under visible light on a novel ZnIn2S4 catalyst synthesized by hydrothermal method

A novel ZnIn2S4 catalyst synthesized by hydrothermal method shows high and stable photocatalytic activity for water reduction under visible light illumination.     

A density functional study on hydrated clusters of orthoboric acid, B(OH)3(H2O)n (n=1–5)

We have calculated the optimized structures and stabilization energies for hydrated clusters of orthoboric acid molecule, B(OH)₃(H₂O)_n (n=1–5), with a hybrid density functional approach. Although some ion-pair structures are revealed in the case of n=4 and 5 clusters, the most stable structure is found to be a non-proton-transferred form up to n=5 hydrated clusters. The calculated IR spectra of the stable B(OH)₃(H₂O)_n of n=3–5 clusters predict small red shifts of hydrogen-bonded OH frequencies. These geometry and IR results are related to the weak acidity nature of orthoboric acid.     

Triphenylamine–Thienothiophene Organic Charge‐Transport Molecular Materials: Effect of Substitution Pattern on their Thermal,Photoelectrochemical, and Photovoltaic Properties

Two readily accessible thienothiophene–triphenylamine charge‐transport materials have been synthesized by simply varying the substitution pattern of the triphenylamine groups on a central thienothiophene π‐linker. The impact of the substitution pattern on the thermal, photoelectrochemical, and photovoltaic properties of these materials was evaluated and, based on theoretical and experimental studies, we found that the isomer in which the triphenylamine groups were located at the 2,5‐positions of the thienothiophene core ( TT‐2,5‐TPA ) had better π‐conjugation than the 3,6‐isomer ( TT‐3,6‐TPA ). Whilst the thermal, morphological, and hydrophobic properties of the two materials were similar, their optoelectrochemical and photovoltaic properties were noticeably impacted. When applied as hole‐transport materials in hybrid perovskite solar cells, the 2,5‐isomer exhibited a power‐conversion efficiency of 13.6 %, much higher than that of its 3,6‐counterpart (0.7 %) under the same standard conditions.