混合卟啉体系中的光化学烧孔

在有机电子转移型烧孔体系中,混杂两种电子给体-苯并卟啉锌衍生物分子,可增加吸收带的非均匀宽度。本文通过对光谱孔的宽度和烧孔效率的讨论,证明了混杂电子给体的方法对孔宽和烧孔效率无明显影响,可以达到增加此类材料体系的烧孔数目,提高信息存储密度的目的。     

新型永久光谱烧孔材料及机理研究

利用永久光谱烧孔(Persistent spectral hole burning(PSHB))可使光学信息存储密度提高三个数量级以上[1].这一重要应用前景激励科学家探索和寻求具有较高的非均匀(inhomogeneous)线宽与均匀(homogeneous)线宽之比(决定存储密度)和可擦除性(erasable)新型光谱烧孔材料.有机材料易于进行分子设计和组装,是较理想的光存储(optical storage)材料.     

Synthesis and properties of chitosan‐based thermo‐ and pH‐responsive nanoparticles and application in drug release

In this research, thermo‐ and pH‐responsive nanoparticles with an average diameter of about 50–200 nm were synthesized via the surfactant‐free emulsion polymerization. The thermal/pH dual responsive properties of these nanoparticles were designed by the addition of a pH sensitive monomer, acrylic acid (AA), to be copolymerized with N‐isopropylacrylamide (NIPAAm) in a chitosan (CS) solution. The molar ratio of CS/AA/NIPAAm in the feed was changed to investigate its effect on structure, morphology, thermal‐ and pH‐responsive properties of the nanoparticles. It was found that CS‐PAA‐PNIPAAm nanoparticles could be well dispersed in the aqueous solution and carried positive charges on the surface. The addition of thermal‐sensitive NIPAAm monomer affected the polymerization mechanism and interactions between CS and AA. The particle size of the nanoparticles was found to be varied with the composition of NIPAAm monomer in the feed. The synthesized nanoparticles exhibited stimuli‐responsive properties, and their mean diameter thus could be manipulated by changing pH value and temperature of the environment. The nanoparticles showed a continuous release of the encapsulated doxycycline hyclate up to 10 days during an in vitro release experiment. The environmentally responsive nanoparticles are expected to be used in many fields such as drug delivery system. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 2798–2810, 2009     

Energy-dependent cross sections for the tritium-methane hot atom reactions

Using classical Monte Carlo trajectory methods, we have fitted a new kind of empirical potential energy hypersurface to combined experimental observations on the tritium-methane hot atom reactions. All channels (including Walden inversion) are now present and the degree of uniqueness is apparently high. We present our predicted cross sections as a function of tritium energy for the abstraction, inverting substituting, and total substitution reactions.     

Cation transport at 25°c from binary Tl+Mn+ and K+Mn+ nitrate mixtures in a H2OCHCl3H2O liquid membrane system containing a series of macrocyclic polyether carriers

Carrier-mediated cation fluxes were determined using a H₂OCHC1₃H₂O liquid merebrane system for TlNO₃ and for binary mixtures of either TlNO₃ or KNO₃ with alkali metal ions, alkaline earth metal ions, and Pb²⁺ (in the case of TlNO₃). Both macrocyclic polyether and cryptand ligands were used as carriers. In Tl⁺Mⁿ⁺ mixtures, selective transport of Tl⁺ was found over all cations studied, except in the cases of Ag⁺ by 2.2 and of Pb²⁺ by 18C6, DC18C6, ClDKP18C6, and 2.2. Generally, K⁺ was transported selectively from K⁺Mⁿ⁺ mixtures, except in the cases of K⁺Tl⁺ mixtures in which Tl⁺ was transported selectively in all cases. A model relating cation flux to log K(CH₃OH) for Mⁿ⁺—macrocycle interaction and to ion-partitioning between the organic and aqueous phases was successful in rationalizing selective cation transport in most of the systems studied.     

Solving NP-hard problems in ‘almost trees’: Vertex cover

We present an algorithm which finds a minimum vertex cover in a graph G(V, E) in time $\text{O}\text{(|V|+(}\text{a}\text{k}\text{)2}{}^{\mathrm{<mtext>k</mtext><mtext>3</mtext>}}\text{)}$, where for connected graphs G the parameter a is defined as the minimum number of edges that must be added to a tree to produce G, and k is the maximum a over all biconnected components of the graph. The algorithm combines two main approaches for coping with NP-completeness, and thereby achieves better running time than algorithms using only one of these approaches.     

Infrared spectra of 1-phosphapropyne,CH3CP,and its perdeuteride,CD3CP

The infrared spectra of 1-phosphapropyne, CH₃CP, and its perdeuteride, CD₃CP, have been measured in the gaseous and solid states. The Q_K branches of perpendicular bands have been analyzed in terms of the usual quadratic expression in K. Fermi resonances were identified for the ν₁, ν₂ + ν₃, 2ν₃, 2ν₆⁰; and ν₅, 2ν₃ + ν₈ band systems of CH₃CP and the ν₁, 2ν₃, 2ν₆⁰; ν₆, ν₇ + ν₈; and ν₇, 3ν₈¹ band systems of CD₃CP. The xy Coriolis interaction was also identified between the ν₃ and ν₆ bands of the two species. All the fundamentals were assigned and the normal coordinate treatment was carried out along with the Coriolis constants, ζ^z.     

Modular forms and differential operators

In 1956, Rankin described which polynomials in the derivatives of modular forms are again modular forms, and in 1977, H Cohen defined for eachn ≥ 0 a bilinear operation which assigns to two modular formsf andg of weightk andl a modular form [f, g]_n of weightk +l + 2n. In the present paper we study these “Rankin-Cohen brackets” from two points of view. On the one hand we give various explanations of their modularity and various algebraic relations among them by relating the modular form theory to the theories of theta series, of Jacobi forms, and of pseudodifferential operators. In a different direction, we study the abstract algebraic structure (“RC algebra”) consisting of a graded vector space together with a collection of bilinear operations [,]_n of degree + 2n satisfying all of the axioms of the Rankin-Cohen brackets. Under certain hypotheses, these turn out to be equivalent to commutative graded algebras together with a derivationS of degree 2 and an element Φ of degree 4, up to the equivalence relation (∂,Φ) ~ (∂ - ϕE, Φ - ϕ² + ∂(ϕ)) where ϕ is an element of degree 2 andE is the Fuler operator (= multiplication by the degree). Dedicated to the memory of Professor K G Ramanathan     

Combined deuterium labeling and appearance potential measurements to uncover competing reaction mechanisms in the electron-impact-induced loss of water from cyclohexanol

The appearance potentials for loss of H₂O and DOH from the constitutional isomers 3,5-dideuterocyclohexanol and 4,4- dideuterocyclohexannol show, in agreement with proposals based on stereoselectivites, that 1,3 loss of water is energetically more costly than 1,4 loss of water.