Microscopic Theory of Blue Phases Ⅰ and Ⅱ of Liquid Crystal

The microscopic theory of the blue phases of chiral liquid crystal is proposed. Beginning with the potential between two molecules, by using the cell model of liquid, applying statistical physical method, the distribution function and the free energy of the system are obtained. By using variational approach and zero-order approximation, the differential equation that the order parameter tensor of the blue phase can satisfy is obtained. Then we change the differential equation to the eigenequation problem in quantum mechanics. Considering the symmetry of the blue phases,the order parameter tensors of blue phases Ⅰ and Ⅱ can be made up of the eigenvectors. Our results are the same as the results of Ginzberg-Landau‘s phenomenological theory. The parameters in the order parameter tensors that we calculate in the located system are close to the predecessors‘ results.     

STUDIES ON THE PREPARATION OF ZINC-CONTAINING ACTIVATED CARBON FIBERS AND THEIR ANTIBACTERIAL ACTIVITY

1. INTRODUCTION Microbial pollution will bring about various problems in industry and other vital fields, such as causing decomposing of materials, harming people抯 health. In order to reduce these problems, new antibacterial materials have been demanded. Recently, much attention has been paid to inorganic materials including zinc oxide [1~4]. These inorganic antibacterial materials are now substituting for organic materials to avoid releasing noxious organic molecules harmful to humans;…     

Novel Poly（thienylene Ethynylene）s with Electron-accepting Groups

Since the early works of A. J. Heeger, A G. MacDiarmid and Hideki Shirakawa on semiconducting polymers, π-conjugated oligomers and polymers have been actively investigated for a variety of optoelectronic applications, such as field effect transitors (FET…     

Theoretical studies on the reaction path and dynamics of the reaction CH_3+H_2O→CH_4+OH

The reaction path, the dynamical properties along the reaction path and CVT rate constants are computed by the ab initio MO method, the reaction path Hamiltonian theory and the variational transition state theory. The results show that the effect of the electron correlation energy on activation barrier is large, the recrossing and tunneling effects exist in the reaction.     

THE STRUCTURAL BASIS OF THE POOR FIBRIN SPECIFICITY OF UROKINASE(Ⅰ)——KNOWLEDGE-BASED PREDICTION OF KRINGLE STRUCTURES OF UROKINASE AND ITS RELATED PROTEINS

The Kringle-1 structure of plasminogen (PGK-1), the Kringle-2 structure of tissue plasminogen activator (PAK-2) and the Kringle structure of prourokinase (UKK) has been modeled on the basis of the three-dimensional structure of Kringle-1 of prothrombin (PTK-1) at 2.8 resolution. The predicted three-dimensional structure of these Kringles shows that the binding site of PGK-1 is characterized by an apparent dipolar site, the polar parts of which are separated by a hydrophobic region. PAK-2 possesses the anionic center but has not a cationic binding center which might be provided by a guanidinium group from Arg-69 located adjacent to the Arg-71 position. UKK possesses neither the anionic binding center nor the cationic center which are probably the main reason for the poor fibrin specificity of urokinase.     

STUDIES ON cis-trans-ISOMERIZATION AND REACTION KINETICS OF A μ, η~2-VINYL LIGAND IN A TRIOSMIUM CLUSTER

The dihydride cluster H_2O_(s_3)(CO)_(10) reacts with ethyne to give a cis-adduct [O_(s_3)H(μ,η~2-CH=CH_2)(CO)_(10)]. The high deuterated cluster D_2O_(s_3)(CO)_(10), the reaction of D_2O_(s_3)(CO)_(10)with ethyne C_2H_2 to form the vinyl product cluster [O_(s_3)D(μ, η~2-CH=CHD)(CO)_(10)], and thereaction of H_2O_(s_3)(CO)_(10) with the deuterated ethyne C_2D_2 to form [O_(s_3)H(μ,η~2-CD=CDH)(CO)_(10)] have been reported primarily in this paper. The two cis-adducts undergo cis-trans-isomerization of μ,η~2-vinyl ligands under a small amount of the nucleophile pyridine. Usingthe combination of deuteration and dynamic ~1H,~2H NMR spectra, we report the experimen-tal evidence determined by the dynamic ~1H, ~2H NMR spectra, mechanism, and kinetic dataof the isomerization.     

Synthesis and X-ray crystal structure of oxamido-bridged heterobinuclear Ni(Ⅱ)-Cu(Ⅱ) complexes

The two complexes [Ni(oxen)Cu(L)2](ClO4)2.xH2O (L=2,2'-bipyridyl(bpy), 1,10-phenanthroline(phen)) have been synthesized, where oxen is N,N'-bis(2-aminoethyl)oxamido di-anion. The crystal structure of [Ni(oxen)Cu(bpy)2](ClO4)2.CH3OH has been determined by X-ray diffraction method. The crystal is triclinic system, space group P1 with a=12.179(1),b=12.298(2), c=11.476(2) A, a=97.57(1), B=97.52(1), 7=80.29(2), V=1669.04(67) A3, Z=2, Dcalcd=1.667 g/cm3. The structure has been refined to final R of 0.076 and Rw of 0.080, respectively. The complexes have an extended oxamido-bridged structure and consist of Ni(Ⅱ) ion in a square planar environment and Cu(Ⅱ) ion in a distorted octahedral environment.     

An Efficient Method for the Synthesis of Acyl-diazenes Using NaNO_2/NaHSO_4·H_2O

Azo compounds are widely utilized as analytic reagents and dyes1, they can also be used in material of non-linear optics, material of optics information storing in laser disks, and dyes with oil solubility in photochromy in modern technology2. Recently, many noteworthy studies have shown that some azo compounds possess excellent optical memory and photoelectric properties3,4. For example, polymer scaffolds bearing azobenzene-potential are useful for optical information storage, azo-dye doped…     

Synthesis, Structure and Conductivity of the New Charge-transfer Salt (ET)_2(CH_2=CH-CH_2-SO_3)·H_2O

ET is one of the most famous electron-donor molecules, which forms charge-transfer complexes (abbr. CT-complexes) with various types of counterions. These complexes have received intense attention because a wide range of physical properties such as conductivity and superconductivity1, ferromagnetism2-4 and nonlinear optical properties5 was found in these materials. Although the majority of the ET-based CT-complexes were prepared by combining with inorganic counterions, CT-complexes with o…     

Microwave Pyrolysis and Electrochemical Supercapacitor of S-doped g-C_3N_4 Nanoparticles

In this study, S-doped g-C_3N_4 nanoparticles were successfully prepared by one-step solid-state microwave synthesis. The detailed characterizations through XRD, FT-IR, SEM and XPS were studied. In addition, the electrochemical properties as supercapacitor of the sample were tested by cyclic voltammetry(CV), galvanostatic charge-discharge(GCD) and electrochemical impedance spectroscopy(EIS) techniques. The results showed a high specific capacitance of 691 F/g at current density of 4 A/g in 2 M KOH + 0.15 M K_3[Fe(CN)_6] electrolyte. This study shows that the microwave synthesis is a promising way to design carbon-based electrodes for supercapacitor.