Effect of end groups on complexation kinetics between cyclodextrins and guest polymers

α‐Cyclodextrin (α‐CD) has been complexed with various poly(ethylene glycol) (PEG) derivatives in aqueous solution. It has been found that the end groups of PEG derivatives affect the complexation kinetics greatly, but have only a little influence on the thermodynamic behavior. By increasing the hydrophobicity of end groups, the complexation speeds up rapidly. On the other hand, the bulky end groups slow down the threading of polymeric guests into the cavity of CD. By changing the hydrophobicity and the size of end groups, the complexation rate can be adjusted in the range of several orders of magnitudes, which should be quite useful in the design of new supramolecular systems. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 2050–2057, 2006     

Effect of Notoginsenoside-Rg1 on the Expression of Several Proteins in the Striatum of Rat Models with Parkinson＇s Disease

After establishing hemi-Parkinsonian rat models, the relationships between neuron death and the expression of several proteins, such as c-Fos, GFAP, GDNF, NF-κB and some cytokines were determined. Therapeutics experiments with notoginsenoside-Rg1 were carried out. The research results show that the expressions of GFAP, NF-Kκ and c-Fos will obviously increase in the lesion side of the striatum and the expression of GDNF will decrease, which implies that the signal transduction pathway may participate in the apoptosis in neurons. The levels of some cytokines such as TNF-α, IL-1β in the striatum of PD rat models increased compared to those of normal rats. The results of the therapeutics experiments show that notoginsenoside-Rg1 may repress the immune inflammation response and regulate the immune function through the neuro-immune molecular network. Therefore, notoginsenoside-Rg1 can be used as an effective drug for anti-oxidation and anti-inflammation, and can be used in the therapy of Parkinson＇s disease（PD）.     

Molecular dynamics simulations on the structures and properties of ε-CL-20-based PBXs ——Primary theoretical studies on HEDM formulation design

Five polymer bonded explosives (PBXs) with the base explosive ε-CL-20 (hexanitrohexaazaisowurtzi- tane), the most important high energy density compound (HEDC), and five polymer binders (Estane 5703, GAP, HTPB, PEG, and F2314) were constructed. Molecular dynamics (MD) method was employed to investigate their binding energies (Ebind), compatibility, safety, mechanical properties, and energetic properties. The information and rules were reported for choosing better binders and guiding formula- tion design of high energy density material (HEDM). According to the calculated binding energies, the ordering of compatibility and stability of the five PBXs was predicted as ε-CL-20/PEG > ε-CL-20/ Estane5703 ≈ε-CL-20/GAP > ε-CL-20/HTPB > ε-CL-20/F2314. By pair correlation function g(r) analyses, hydrogen bonds and vdw are found to be the main interactions between the two components. The elasticity and isotropy of PBXs based ε-CL-20 can be obviously improved more than pure ε-CL-20 crystal. It is not by changing the molecular structures of ε-CL-20 for each binder to affect the sensitivity. The safety and energetic properties of these PBXs are mainly influenced by the thermal capability (C°p) and density (ρ) of binders, respectively.     

Theoretical and numerical analysis on multispectral bioluminescence tomography

Recently, molecular imaging has been rapidly developed to studyphysiological and pathological processes in vivo at the cellularand molecular levels. Among molecular imaging modalities, opticalimaging has attracted a major attention for its unique advantages.In this paper, we establish a mathematical framework for multispectralbioluminescence tomography (BLT) that allows simultaneous studiesof multiple optical reporters. We show solution existence, uniquenessand continuous dependence on data as well as the limiting behaviourswhen the regularization parameter approaches zero or when thepenalty parameter approaches infinity. Then, we propose twonumerical schemes for multispectral BLT and derive error estimatesfor the corresponding solutions.     

高固体分羟基丙烯酸树脂的合成

以过氧化二苯甲酰（BPO）／过氧化二异丙苯（DCP）（质量比为2：3）为复合引发剂，二甲苯为溶剂，选用适量含羟基单体和分子量调节剂，以减缓树脂合成聚合反应中的自动加速现象，合成了分子量为3000-4000，多分散性指数d〈2的高固体分羟基丙烯酸树脂．该树脂与缩二脲多异氰酸酯（HDI）的配漆实验证明，所得漆膜鲜映性好、丰满度高、色泽好、雾影值低、综合性能较好．     

Fermi, Majorana and the Statistical Model of Atoms

We give an account of the appearance and first developments of the statistical model of atoms proposed by Thomas and Fermi, focusing on the main results achieved by Fermi and his group in Rome. Particular attention is addressed to the unknown contribution to this subject by Majorana, anticipating some important results reached later by leading physicists.     

Electrical properties and memory effect in the field effect transistor based on organic ferroelectric insulator and pentacene

We have fabricated a field effect transistor (FET) based on an organic ferroelectric insulator and molecular conductor, and investigated the electrical properties and memory effects on the PEN-FET. We have observed a drastic change in the drain current at around the coercive electric fieldE _c of the organic ferroelectric insulator in not only a FET (PEN-FET) based on a pentacene (PEN) film but also a FET (IPEN-FET) based on an iodine doped PEN film. The magnitude of the change of the drain current for the IPEN-FET is 200 times larger than that for the PEN-FET. It is expected from these results that the PEN-FET (especially the IPEN-FET) is an improvement in such devices, since it operates at a low gate electric field accompanied by the appearance of the spontaneous polarization in the organic ferroelectric insulator. In addition, we have found that the drain current for the PEN-FET does not return to the initial drain current ofE _G =0 V/cm for more than one week, even if the gate electric field is changed to 0 V/cm from 500 V/cm(>E _c ). From these results, it is suggested that the PEN-FET becomes a memory device.     

Relaxation-Induced Suppression of Vortex Disturbances in a Molecular Gas

The influence of thermal excitation on a finite-amplitude vortex disturbance in a shear flow of a molecular gas is studied in a model problem. The evolution of such vortex structures is typical of both the nonlinear stage of the laminar–turbulent transition and for developed turbulence. Since the excitation level was assumed to be comparatively low, full Navier–Stokes equations for a compressible heat-conducting gas were used in calculations; nonequilibrium was taken into account by the coefficient of bulk viscosity. As the bulk viscosity increases in the range of realistic values, the disturbance-energy damping rate in a weakly compressible flow increases approximately by 10%. The increase in the Mach number enhances the effect of disturbance suppression.     

A new fluorescent chemosensor for transition metal cations and on/off molecular switch controlled by pH

A new fluorescent chemosensor with imidazole as ionophore was synthesized by the selective derivation of calixarene, which can effectively recognize Cu²⁺ and Zn²⁺ leading to different fluoroscopic behaviors in CH₃OH-H₂O. This system could be considered as a molecular switch. By modulating the pH of the solution, on-off-on fluorescent switching is carried out upon combinatory addition of acid, base and Cu²⁺.