用神经网络法预测膜蛋白RH和BR的二级结构

以视紫红质和菌紫质两个典型的膜蛋白为选材, 用神经网络方法对其二级结构进行预测。预测结果与实验资料的符合率与该方法用于球蛋白时的结果一致。由此暗示蛋白质二级结构主要由蛋白质内部 相互作用所决定, 而外部环境不起主导作用。表2参13

Kinetic spectra of light-adaptation dark-adaptation and M-intermediate of BR-D96N

BR-D96N is a kind of genetically site-specific mutants of bacteriorhodopsin (BR) with obvious photochromic effect. Compared to the wild type BR, the lifetime of M state of BR-D96N is prolonged to several minutes so that the photochromic kinetics and the intermediates formation can be studied by the conventional spectra analysis. In the experiment, the absorption spectra of the sample at different time after light illumination are measured with spectrophotometer. By fitting and analyzing the variation of the spectra, we suppose that there are three main states in the, photochromic process, i.e., B state (light-adapted state), M state and D state (dark-adapted state). The absorption spectra of the B state, M state and D state are extracted from the experimental data based on this three-state model and the spectra at various time are fitted with the least-square method. So, the variations of population percentages of the M state, B state and D state are obtained and the M state and B state lifetimes are estimated. In another way, from the measurement of the absorption dynamics at 407 and 568 nm, the M state and B state lifetimes are also obtained by two exponential data fitting, which give coincident results with those of the spectra analysis. (C) 2003 Elsevier Science B.V. All rights reserved.

Experimental study on polarization holographic storage in genetic mutant BR-D96N film

Recording with both parallel and orthogonal linearly polarized lights, polarization holographic storage in genetic mutant BR-D96N film is reported with both transmission type geometry and reflection type geometry. Polarization properties of diffraction light and scattering light are discussed for two different cases, parallel polarization recording and orthogonal polarization recording. It shows that, compared with recording with parallel polarization lights, orthogonal polarization holography can separate the diffraction light from the scattering noise, therefore improving the signal-to-noise ratio. It also shows that, compared with reconstruction with reference light, reconstruction with phase conjugated wave of the reference light can improve the signal-to-noise ratio of the reconstructed diffraction image, and also the wave-front aberration of the object light introduced by irregular phase object in the optical pass-way can also be corrected effectively, which ensures that the reconstructed diffraction image has a better fidelity. The preliminary angle-multiplexed volume holographic storage multiplexed by transmission type geometry and reflection type geometry is demonstrated in the BR-D96N film. Experiment shows that there is no cross-talk between the two pages of images except for some scattering noises.

Photochromic kinetic spectra and intermediates of BR-D96N

BR-D96N is a kind of genetically site-specific mutant of bacteriorhodopsin (BR) with obvious photochromic effect. Compared to the wild type BR, the lifetime of M state of BR-D96N is prolonged to several minutes so that the photochromic kinetics and the intermediates formation can be studied by the conventional spectra analysis. In the experiment, the absorption spectra of the sample at different time after light illumination are measured with spectrophotometer. By fitting and analyzing the variation of the spectra, we suppose there-are three main states in the photochromic process, i.e. B state (light-adapted state), M state and D state (dark-adapted state). The absorption spectra of the B state, M state and D state are extracted from the experimental data based on this three-state model and the spectra at various time are fitted With the least square method. So, the variations of population percentages of the M state, B state and D state are obtained and the M state and B state lifetimes are estimated. In another,way, from measuring the absorption dynamics at 407 nm and 568 nm, the M state and B state lifetimes are also obtained by two exponential data fitting, which give coincident results with those of the spectra analysis.

ELECTRONIC-STRUCTURES OF THE ALKALI-CONTAINING BUCKMINSTERFULLERENES (A-DELTA-C60) (A=LI,NA,K,RB,CS) AND THE HALOGEN-CONTAINING BUCKMINSTERFULLERENES (H-DELTA-C60) (H=F,CL,BR,I)

The geometrical parameters and electronic structures of C60, (A partial derivative C60) (A = Li, Na, K, Rb, Cs) and (H partial derivative C60) (H = F, Cl, Br, I) have been calculated by the EHMO/ASED (atom superposition and electron delocalization) method. When putting a central atom into the C60 cage, the frontier and subfrontier orbitals of (A partial derivative C60) (A = Li, Na, K, Rb, Cs) and (H partial derivative C60) (H = F, Cl) relative to those of C60 undergo little change and thus, from the viewpoint of charge transfer, A (A = Li, Na, K, Rb, Cs) and H (H = F, Cl) are simply electron donors and acceptors for the C60 cage resPeCtively. Br is an electron acceptor but it does influence the frontier and subfrontier MOs for the C60 cage, and although there is no charge transfer between I and the C60 cage, the frontier and subfrontier MOs for the C60 cage are obviously influenced by I. The stabilities DELTAE(X) (DELTAE(X) = (E(X) + E(C60)) - E(x partial derivative C60)) follow the sequence I < Br < None < Cl < F < Li < Na < K < Rb < Cs while the cage radii r follow the inverse sequence. The stability order and the cage radii order have been explained by means of the (exp-6-1) potential.

钕系BR的性能研究

研究不同相对分子质量钕系BR(NdBR)的性能。结果表明,NdBR具有高顺式分子链结构,随着重均相对分子质量的增大,生胶和混炼胶的门尼粘度总体呈增大趋势;当生胶门尼粘度[ML(1+4)100℃]为39～49、相对分子质量分布指数为3.5～4.0时,NdBR硫化胶的物理性能、抗湿滑性能、耐压缩疲劳性能及耐磨性能良好;NdBR硫化胶在湿态和干态下的抗侧滑性能优于镍系BR。

Synthesis, structure and optical properties of new organic-inorganic haloplumbates complexes (C5H10N3)PbX4 (X = Br, Cl), (C2H2N4)PbBr3

Layered organic-inorganic composite materials (C5H10N3)PbX4 (X = Br 1, Cl 2) containing histaminium dications were grown via a solution-cooling process, and their structure and optical properties were determined. The organic ligand-histaminium introduced into the corner-sharing octahedra of the 'PbX4- layer' contains both primary ammonium and imidazolium different from the traditionally primary amine found in this system. As comparison, another analogous amine of 3-amino-1,2,4-triazol was used as ligand to coordinate with PbBr2 in acid solution. A novel complex (C2H2N4)PbBr3 (3) was obtained with zigzag PbBr2 chains different from the PbX4 layer in compound as 1 and 2. The hybrid (C5H10N3)PbX4 show exciton absorption at 339 nm for X = Cl and 419 nm for X = Br with the corresponding emission at 360 and 436 nm, respectively. The different PbBr2 chain structure of compound 3 does not show photo luminescence.

Hydrothermal synthesis, structure, and characterization of two one-dimensional chainlike hybrid complexes [(CuX)(2)(o-phen)](infinity) (X = Br, Cl; o-phen = o-phenanthroline)

Two novel organic-inorganic hybrid complexes [(CuX)(2)(o-phen)](infinity) (X = Br (1), Cl (2); o-phen = o-phenanthroline) have been synthesized hydrothermally and characterized structurally by elemental analyses, IR, ESR, XPS spectrum, TG analyses and single-crystal X-ray diffraction. Both title compounds exhibit novel one-dimensional chainlike copper halide scaffolding constructed by the unusual [Cu3X3] hexagon motifs by sharing opposite edges, where a single Cu site of each [Cu3X3] hexagon is chelated with N donors of o-phen group. To our knowledge, such basic o-phen-copper halide skeleton has not been reported hitherto. Moreover, TG analyses indicate that both title compounds possess high thermal stability.

辐射对PP/BR共混体系界面粘接的影响

研究了在多官能团单体异氰尿酸三烯丙酯（ＴＡＩＣ）存在下，辐射对ＰＰ／ＢＲ共混体系的影响，并用ＳＥＭ，ＤＳＣ和动态力学性能等技术对其进行了表征。结果显示，辐射引发ＴＡＩＣ参与的界面反应改变了ＰＰ／ＢＲ的形态结构，增强了两相的界面粘接，改善了相容性，提高了力学性能。

辐射增强PP/BR共混体系的力学性能

研究了在多官能团单体—三烯丙基异氰酸酯存在下，共混体系聚丙烯／１．４－聚丁二烯橡胶的辐射效应，用ＤＳＣ，动态粘弹谱对其进行表征。结果显示，三烯丙基异氰酸酯主要分布于聚丙烯／１．４－聚丁二烯橡胶共混物的界面处，在高能射线作用下，被引发参与界面反应，从而改善了共混体系的相容性，增强了界面粘接，提高了共混物的力学性能。