Normalization and Fermi–Coulomb and Coulomb hole sum rules for approximate wave functions

For approximate wave functions, we prove the theorem that there is a one‐to‐one correspondence between the constraints of normalization and of the Fermi–Coulomb and Coulomb hole charge sum rules at each electron position. This correspondence is surprising in light of the fact that normalization depends on the probability of finding an electron at some position. In contrast, the Fermi–Coulomb hole sum rule depends on the probability of two electrons staying apart because of correlations due to the Pauli exclusion principle and Coulomb repulsion, while the Coulomb hole sum rule depends on Coulomb repulsion. We demonstrate the theorem for the ground state of the He atom by the use of two different approximate wave functions that are functionals rather than functions. The first of these wave function functionals is constructed to satisfy the constraint of normalization, and the second that of the Coulomb hole sum rule for each electron position. Each is then shown to satisfy the other corresponding sum rule. The significance of the theorem for the construction of approximate “exchange‐correlation” and “correlation” energy functionals of density functional theory is also discussed. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007     

Stability control of the electrooptic effect with new maleimide copolymers containing photoreactive tricyanopyrrolidene‐based chromophores

New photocrosslinkable maleimide copolymers have been synthesized by the attachment of a tricyanopyrrolidene‐based chromophore. The 2‐(3‐cyano‐4‐(2‐{4‐[hexyl‐(6‐hydroxy‐hexyl)‐amino]‐phenyl}‐vinyl)‐5‐oxo‐1‐{4‐[4‐(3‐oxo‐3‐phenyl‐propenyl)‐ phenoxy]‐butyl}‐1,5‐dihydro‐pyrrol‐2‐ylidene)‐malononitrile chromophore exhibits nonlinear optical activity and contains a chalcone moiety that is sensitive to UV light (λ = 330–360 nm) for crosslink formation. The maleimide monomers have also been functionalized with chalcone moieties. The resultant copolymers exhibit great processability, and one of them shows a maximum electrooptic coefficient of 90 pm/V at 1300 nm. We could control the thermal stability of the electrooptic coefficient with the newly synthesized photoreactive copolymers successfully. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 531–542, 2007     

Bio-Plasmonics: Nano/micro Structure of Surface Plasmon Resonance Devices for Biomedicine

We have reported a novel design of surface plasmon resonance (SPR) device, which uses alternating dielectric layers to enhance the SPR signal quality and modulate its resonant position. Admittance loci method of thin film design has been used in the design of such a device. The use of biomolecular thin film, such as DNAs or Porteins, in this design can result in resonant condition of wavelength changes as well. Bio-plasmonics is proposed for the research and development of novel devices, which use biomolecules as a part of the plasmon oscillation system to actively interact with nano/micro structure.     

Degradative chain transfer in vinyl acetate polymerizations using toluene as solvent

In this work, we propose that retardation in vinyl acetate polymerization rate in the presence of toluene is due to degradative chain transfer. The transfer constant to toluene (C_trs) determined using the Mayo method is equal to 3.8 × 10^?3, which is remarkably similar to the value calculated from the rate data, assuming degradative chain transfer (2.7 × 10^?3). Simulations, including chain‐length‐dependent termination, were carried out to compare our degradative chain transfer model with experimental results. The conversion–time profiles showed excellent agreement between experiment and simulation. Good agreement was found for the M_n data as a function of conversion. The experimental and simulation data strongly support the postulate that degradative chain transfer is the dominant kinetic mechanism. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 3620–3625, 2007     

Glass transitions and mixed phases in block SBS

Differential scanning calorimetry (DSC) does not allow for easy determination of the glass‐transition temperature (T_g) of the polystyrene (PS) block in styrene–butadiene–styrene (SBS) block copolymers. Modulated DSC (MDSC), which deconvolutes the standard DSC signal into reversing and nonreversing signals, was used to determine the (T_g) of both the polybutadiene (PB) and PS blocks in SBS. The T_g of the PB block was sharp, at ?92 °C, but that for the PS blocks was extremely broad, from ?60 to 125 °C with a maximum at 68 °C because of blending with PB. PS blocks were found only to exist in a mixed PS–PB phase. This concurred with the results from dynamic mechanical analysis. Annealing did not allow for a segregation of the PS blocks into a pure phase, but allowed for the segregation of the mixed phase into two mixed phases, one that was PB‐rich and the other that was PS‐rich. It is concluded that three phases coexist in SBS: PB, PB‐rich, and PS‐rich phases. © 2004 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 43: 276–279, 2005     

Chemical Constituents of Ligusticum sinensis Oliv.

The new phenylpropanoid diglycoside ligusinenoside A ( 1 ), and the two new 8,4′‐oxyneolignan(‘8‐O‐4′‐neolignan’) diglycosides ligusinenosides B ( 2 ) and C ( 3 ), together with nine known compounds, were isolated from the rhizomes of Ligusticum sinensis Oliv. The structures of 1 – 3 were elucidated on the basis of spectroscopic analyses.     

Photoswitching of holographic polymer-dispersed liquid crystals doped with chiral dopant

Chiral dopants were added to the formulation of holographic polymer-dispersed liquid crystals and the effects studied in terms of grating formation dynamics, morphology, diffraction efficiency, contrast ratio and electro-optical properties of the films. A gradual increase of real-time diffraction efficiency, decrease of droplet size and increase of diffraction efficiency of the composite film were obtained with the addition and increasing content of chiral dopant, due to the increased viscosity of the liquid crystal (LC) doped with the chiral dopant leading to decreased droplet coalescence. The contrast ratio decreased with increasing content of chiral dopant due to the difficult orientation of LC molecules caused by the formation of a helical structure. Addition of a small amount of the chiral dopant increased the driving voltage slightly, whereas the decay time is decreased significantly as a result of the high twisting of the helical structure.     

长江堤防工程地质信息处理模型及技术方法

长江中下游的主要防洪工程是长江干堤 ,长江堤防线路长、工程浩大、堤基工程地质水文地质条件复杂 ,涉及大量的已有地质数据和资料。今后在整治加固堤防的工程地质勘察工作中 ,还需随时进行数据的收集、存储、检索、分析、统计和维护 ,随时调用这些数据进行综合处理、编制报告和图件 ;在防汛期间可以针对堤防险工险段的险情 ,随时查询和调用有关的资料、数据或者图件 ,提供采取抢险措施决策的地质依据。这既提高了地质数据的利用价值和利用率 ,又保证了信息的准确性、完整性和共享性。因此 ,建立合理的长江堤防工程地质信息处理模型及其成熟的技术方法具有重要的意义。