HeI photoelectron spectroscopic (PES) and quantum chemistry study on the dimeric compound of 2(5H) furanone

The He1 photoelectron (PE) spectra of both 2(5H) furanone and itstrans-chair-dimeric-compound (t-c-DFN) are reported. The assignment of the PES bands is made on the basis of band shapes, the PES results of the molecules which have the similar atomic groups, and the restricted Hartree-Fock (RHF) calculations for the molecules studied. From the results of both PES experimental and theoretical calculations, it is proved that the ionization potential (IPS) of the HOMO for the dimeric-compound is lower than that of the HOMO for the monomer. And the total energy computed for thet-c-DFN is the lowest in the four possible configurations of dimeric-compounds of 2(5H) furanone. Therefore the synthesis oft-c-DFN is also the easiest. Project supported by the National Natural Science Foundation of China.     

Nanocrystalline ceramic films for efficient conversion of light into electricity

Transparent nanocrystalline films of oxide semiconductors such as TiO₂ and Fe₂O₃ have been prepared on a conducting glass support employing a sol-gel procedure. The films are composed of nanometer-sized particles sintered together to allow for percolative charge carrier transport. The internal surface of these films is very high, roughness factors of the order of 1000 being readily obtained. Electric polarization was applied for forward and reverse biasing of the films and the resulting optical changes have been analyzed to derive their flat band potential. Band gap excitation of such nanocrystalline semiconductors produces electron-hole pairs which migrate through the film to be collected as electric current. Steady state photolysis and time resolved laser techniques have been applied to scrutinize the mechanism of light induced charge separation within the nanostructure. When derivatized with a suitable chromophore, TiO₂ films give extraordinary efficiencies for the conversion of incident photons into electric current, exceeding 90% for certain transition metal complexes within the wavelength range of their absorption band. The underlying physical principles of these astonishing findings will be discussed. Exploiting this discovery, we have developed a new type of photovoltaic device whose overall light to electric energy conversion yield is 10% under simulated AM 1.5 solar radiation.     

meso-四(2-羟基-5-磺酸苯基)卟啉的合成及其酸碱平衡的研究

本文对 meso-四(2-H-5-SP)P 的提纯方法进行了改进,同时以光度法研究了该试剂在水溶液中的酸碱平衡、测得其 pKa_1、pKa_2、pKa_3、pKa_4分别为2.99,4.21,8.68,10.28。     

A comparison theorem for a piecewise Lipschitz continuous Hamiltonian and application to Shape-from-Shading problems

Summary The reconstruction from a shaded image of a Lambertian and not self-shadowing surface illuminated by a single distant pointwise light source may be written as a first-order Hamilton-Jacobi equation.In this paper, we continue the investigation begun in E. Rouy and A. Tourin into the uniqueness of the solution of this equation; the approach is based on the viscosity solutions theory and the dynamic programming principle.More precisely, we concentrate here on the uniqueness of the viscosity solution of this equation in case the measured luminous intensity reflected by the surface is discontinuous along a smooth curve. We prove a general comparison result for a piecewise Lipschitz continuous Hamiltonian and illustrate it by numerical experiments.     

铜、锌在5-Br-PADAP和表面活性剂体系中的分光光度法同时测定

5一Br—PADAP在阳离子表面活性剂溴代十六烷基三甲胺存在下同时测定Cu^2 和Zn^2 ，找出最佳实验条件，对水和血清测定结果令人满意．     

The influence of hard‐segments on two‐phase structure and shape memory properties of PCL‐based segmented polyurethanes

Poly(ε‐caprolactone)‐based segmented polyurethanes (PCLUs) were prepared from poly(ε‐caprolactone) diol, diisocyanates (DI), and 1,4‐butanediol. The DIs used were 4,4′‐diphenylmethane diisocyanate (MDI), 2,4‐toluenediisocyanate (TDI), isophorone diisocyanate (IPDI), and hexamethylene diisocyanate (HDI). Differential scanning calorimetry, small‐angle X‐ray scattering, and dynamic mechanical analysis were employed to characterize the two‐phase structures of all PCLUs. It was found that HDI‐ and MDI‐based PCLUs had higher degree of microphase separation than did IPDI‐ and TDI‐based PCLUs, which was primarily due to the crystallization of HDI‐ and MDI‐based hard‐segments. As a result, the HDI‐based PCLU exhibited the highest recovery force up to 6 MPa and slowest stress relaxation with increasing temperature. Besides, it was found that the partial damage in hard‐segment domains during the sample deformation was responsible for the incomplete shape‐recovery of PCLUs after the first deformation, but the damage did not develop during the subsequent deformation. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 557–570, 2007     

Liquid Chromatography-Mass Spectrometry Determination of Six 5-Nitroimidazoles in Animal Feedstuff

A liquid chromatography-mass spectrometry method for the determination of the coccidiostats metronidazole, ronidazole, dimetridazole, secnidazole, tinidazole and ipronidazole in feedstuff was developed. The 5-nitroimidazoles were extracted from animal feed with a pH 2 phosphate buffer solution followed by a solid phase extraction procedure based on HLB cartridges. The liquid chromatographic separation of the extracts was performed on a C₁₈ bonded silica column applying a gradient of elution with pH 4.3 ammonium acetate buffer solution and acetonitrile. Quantification for each 5-nitroimidazole was carried out monitoring its molecular ion [M + H]⁺ obtained by positive electrospray ionisation mode. A pool of feedstuffs was used to optimise and validate the method. Linearity, quantification limit, intra-day and inter-day reproducibility and accuracy were estimated using this pool of feedstuffs spiked with the drugs. For the confirmatory assay, several fragment ions from each 5-nitroimidazole were obtained and monitored. The method was applied successfully to determine 5-nitroimidazoles in feedstuff at level of 0.05 mg kg⁻¹.     

Synthesis of Methyl 2-(5-Arylidene-2,4-dioxotetrahydrothiazol-3-yl)propionates

A series of methyl 2-(arylidene-2,4-dioxotetrahydrothiazol-3-yl)propionates were prepared. A study of the 3D structure was performed. The log P values are given for all the synthesized compounds.     

Crystallographic report: Crystal structure of tetra(4‐methyl‐5‐imidazole‐carboxyaldehyde)zinc(II) diperchlorate

The central zinc(II) atom in the title complex is tetrahedrally coordinated by four nitrogen atoms derived from 4‐methyl‐5‐imidazolecarboxyaldehyde ligands with Zn? N in the range 2.007(3) to 2.026(4) Å. Copyright © 2003 John Wiley & Sons, Ltd.     

New 6-Arylsulfonyl-1,2-benzoisothiazol-3(2H)-one 1,1-Dioxides Derived from Diphenyl Sulfone Monosulfonyl Chlorides

Various methods were studied for the oxidation of 2-methyl-5-(phenylsulfonyl)benzenesulfamide and its derivatives. The oxidation by sodium dichromate in sulfuric acid was found most efficient. The effects of temperature, concentration, reagent ratio, and time of the oxidation reaction on the yield of the desired product were investigated. Conditions were proposed for obtaining the desired product in yields up to 95%. A synthesis was developed for a series of new saccharin derivatives.