Transport property of polyaniline and its molecular weight dependence

The electrical conductivity of polyaniline doped with camphor sulfonic acid (PAn-CSA) was studied. The results indicate that there is a critical temperature (T-c) and the temperature dependence of PAn-CSA conductivity shows metallic and semiconductor characteristics above and below T-c, respectively. The higher the molecular weight of PAn, the lower the T-c. The conductivity was enhanced remarkably when PAn-CSA film was stretched, its room temperature conductivity is up to 750 S/cm when elogonation is 60%; however, T-c was independent of elongation.

Molecular cloning, expression and biochemical property analysis of AtKP1, a kinesin gene from Arabidopsis thaliana

Kinesins are common in a variety of eukaryotic cells with diverse functions. A cDNA encoding a member of the Kinesin-14B subfamily is obtained using X-RACE technology and named AtKP1 (for Arabidopsis kinesin protein 1). This cDNA has a maximum open reading frame of 3.3 kb encoding a polypeptide of 1087 aa. Protein domain analysis shows that AtKP1 contains the motor domain and the calponin homology domain in the central and amino-terminal regions, respectively. The carboxyl-terminal region with 202 aa residues is diverse from other known kinesins. Northern blot analysis shows that AtKP1 is widely expressed at a higher level in seedlings than in mature plants. 2808 bp of the AtKP1 promoter region is cloned and fused to GUS. GUS expression driven by the AtKP1 promoter region shows that AtKP1 is mainly expressed in vasculature of young organs and young leaf trichomes, indicating that AtKP1 may participate in the differentiation or development of Arabidopsis thaliana vascular bundles and trichomes. A truncated AtKP1 protein containing the putative motor domain is expressed in E. coli and affinity-purified. In vitro characterizations indicate that the polypeptide has nucleotide-dependent microtubule-binding ability and microtubule-stimulated ATPase activity.

Generating artificial homologous proteins according to the representative family character in molecular mechanics properties - an attempt in validating an underlying rule of protein evolution

The molecular mechanics property is the foundation of many characters of proteins. Based on intramolecular hydrophobic force network, the representative family character underlying a protein’s mechanics property is described by a simple two-letter scheme. The tendency of a sequence to become a member of a protein family is scored according to this mathematical representation. Remote homologs of the WW-domain family could be easily designed using such a mechanistic signature of protein homology. Experimental validation showed that nearly all artificial homologs have the representative folding and bioactivity of their assigned family. Since the molecular mechanics property is the only consideration in this study, the results indicate its possible role in the generation of new members of a protein family during evolution.

Anti-HIV-1 property of trichosanthin correlates with its ribosome inactivating activity

Trichosanthin (TCS) is a type I ribosome inactivating (RI) protein possessing anti-tumor and antiviral activity, including human immunodeficiency virus (HIV). The mechanism of these actions is not entirely clear, but is generally attributed to its RI property. In order to study the relationship between the anti-HIV-1 activity of TCS and its RI activity, three TCS mutants with different RI activities were constructed by using site-directed mutagenesis. The anti-HIV-1 activities of the three mutants were tested in vitro. Results showed that two TCS mutants, namely TCSM((120-123)), TCSE160A/E189A, with the greatest decrease in RI activity, lost almost all of the anti-HIV activity and cytopathic effect. Another mutant TCSR122G, which exhibited a 160-fold decrease in RI activity, retained some anti-HIV activity. The results from this study suggested that RI activity of TCS may have significant contribution to its anti-HIV-1 property. (C) 2002 Published by Elsevier Science B.V. on behalf of the Federation of European Biochemical Societies.

Quantitative structure-property relationships for octanol-air partition coefficients of polychlorinated naphthalenes, chlorobenzenes and p,p '-DDT

The octanol-air partition coefficient (K-OA) is a key descriptor of chemicals partitioning between the atmosphere and environmental organic phases. Quantitative structure-property relationships (QSPR) are necessary to model and predict KOA from molecular structures. Based on 12 quantum chemical descriptors computed by the PM3 Hamiltonian, using partial least squares (PLS) analysis, a QSPR model for logarithms of K-OA to base 10 (log K-OA) for polychlorinated naphthalenes (PCNs), chlorobenzenes and p,p'-DDT was obtained. The cross-validated Q(cum)(2) value of the model is 0.973, indicating a good predictive ability of the model. The main factors governing log K-OA of the PCNs, chlorobenzenes, and p,p'-DDT are, in order of decreasing importance, molecular size and molecular ability of donating/accepting electrons to participate in intermolecular interactions. The intermolecular dispersive interactions play a leading role in governing log K-OA. The more chlorines in PCN and chlorobenzene molecules, the greater the log K-OA values. Increasing E-LUMO (the energy of the lowest unoccupied molecular orbital) of the molecules leads to decreasing log K-OA values, implying possible intermolecular interactions between the molecules under study and octanol molecules. (C) 2002 Elsevier Science Ltd. All rights reserved.

Quantitative structure-property relationships for octanol-air partition coefficients of polychlorinated biphenyls

Based on nine quantum chemical descriptors computed by PM3 Hamiltonian, using partial least squares analysis, a significant quantitative structure-property relationship for the logarithm of octanol-air partition coefficients (log K-OA) of polychlorinated biphenyls (PCBs) was obtained. The cross-validated Q(cum)(2) value of the model is 0.962, indicating a good predictive ability. The intermolecular dispersive interactions and thus the size of the PCB molecules play a key role in governing log K-OA. The greater the size of PCB molecules, the greater the log K-OA values. Increasing E-LUMO (the energy of the lowest unoccupied molecular orbital) values of the PCBs leads to decreasing log K-OA values, indicating possible interactions between PCB and octanol molecules. Increasing Q(Cl)(+) (the most positive net atomic charges on a chlorine atom) and Q(C)(-) (the largest negative net atomic charge on a carbon atom) values of PCBs results in decreasing log K-OA values, implying possible intermolecular electrostatic interactions between octanol and PCB molecules. (C) 2002 Elsevier Science Ltd. All rights reserved.

Quantitative structure-property relationships (QSPRs) on direct photolysis of PCDDs

By the use of partial least squares (PLS) method and 27 quantum chemical descriptors computed by PM3 Hamiltonian, a statistically significant QSPR were obtained for direct photolysis quantum yields (Y) of selected Polychlorinated dibenzo-p-dioxins (PCDDs). The QSPR can be used for prediction. The direct photolysis quantum yields of the PCDDs are dependent on the number of chlorine atoms bonded with the parent structures, the character of the carbon-oxygen bonds, and molecular polarity. Increasing bulkness and polarity of PCDDs lead to decrease of log Y values. Increasing the frontier molecular orbital energies (E-lumo and E-homo) and heat of formation (HOF) values leads to increase of log Y values. (C) 2001 Elsevier Science Ltd. All rights reserved.

Quantitative structure-property relationship study on reductive dehalogenation of selected halogenated aliphatic hydrocarbons in sediment slurries

In this study, by the use of partial least squares (PLS) method and 26 quantum chemical descriptors computed by PM3 Hamiltonian, a quantitative structure-property relationship (QSPR) model was developed for reductive dehalogenation rate constants of 13 halogenated aliphatic compounds in sediment slurry under anaerobic conditions. The model can be used to explain the dehalogenation mechanism. Halogenated aliphatic compounds with great energy of the lowest unoccupied molecular orbital (E-lumo), total energy (TE), electronic energy (EE), the smallest bond order of the carbon-halogen bonds (BO) and the most positive net atomic charges on an atom of the molecule (q(+)) values tend to be reductively dehalogenated slow, whereas halogenated aliphatic compounds with high values of molecular weight (Mw), average molecular polarizability (a) and core-core repulsion energy (CCR) values tend to be reductively dehalogenated fastest. (C) 2001 Published by Elsevier Science Ltd.

Growth parameter dependence of magnetic property of CrAs thin film

This paper has systematically investigated the substrate temperature and thickness dependence of surface morphology and magnetic property of CrAs compound films grown on GaAs by molecular-beam epitaxy. It finds that the substrate temperature affects the surface morphology and magnetic property of CrAs thin film more potently than the thickness.

Systematic investigation on the influence of the As-4 flux on the magnetic property of (In,Cr)As quantum dots

We study the structure, optical and magnetic characteristics of self-assembled (In,Cr) As diluted magnetic semiconductor quantum dots as a function of the As-4 flux. Increasing the surface energy by increasing the As4 pressure leads to a smaller number of larger dots for a higher As-4 flux. The remanent magnetization measured at 5K also increases with increasing As-4 flux, which is attributed to the enhancement of the effective Cr content due to the As-4-rich condition. We explore the possibility of tailoring magnetism by controlling the As-4/In flux ratio without changing the Cr concentration. Furthermore, extremely low-density QDs have also been successfully grown. Copyright (C) EPLA, 2008

Molecular beam epitaxy growth and photoluminescence of type-II (GaAs1-xSbx/InyGa1-yAs)/GaAs bilayer quantum well

We report a systematical study on the molecular beam epitaxy growth and optical property of (GaAs1-xSbx/In-y Ga1-yAs)/GaAs bilayer quantum well (BQW) structures. It is shown that the growth temperature of the wells and the sequence of layer growth have significant influence on the interface quality and the subsequent photoluminescence (PL) spectra. Under optimized growth conditions, three high-quality (GaAsSb0.29/In0.4GaAs)/GaAs BQWs are successfully fabricated and a room temperature PL at 1314 nm is observed. The transition mechanism in the BQW is also discussed by photoluminescence and photoreflectance measurements. The results confirm experimentally a type-II band alignment of the interface between the GaAsSb and InGaAs layers.

The effect of a combined InAlAs and GaAs strained buffer layer on the structure and optical property of InAs quantum dots

The character of InAs quantum dots (QD) directly deposited on a combined InAlAs-GaAs (XML) strained buffer layer (SBL) has been investigated. This growth technique realizes high-density QD (5.88 x 10(10) cm(-2)) by changing the thickness of GaAs in InAlAs-GaAs SBL. The dependence of the density and the aspect ratio of QD on the GaAs thickness has been discussed in detail. The photoluminescence (PL) measurements demonstrate an obvious redshift with the increase of GaAs thickness. In addition, the deposition of InAs QDs grown on the combined InAlAs-GaAs SBL has an important effect of the QD properties. The ordered QD array can be observed from the sample deposited by atomic layer epitaxy, of which the PL peak shows an obvious redshift in comparison to the molecular beam epitaxy (MBE) QDs when the GaAs thicknesses are equal. (c) 2004 Elsevier B.V. All rights reserved.

Recombination property of nitrogen-acceptor-bound states in ZnO

The recombination property of nitrogen (N)-related acceptor-bound states in ZnO has been investigated by photoluminescence (PL), time-resolved PL, and selective PL. Several possible recombination processes were discussed by analyzing the relaxation and recombination properties under large Coulomb interaction. It is strongly suggested that bound exciton emission dominates the recombination process related to the N acceptor. The recombination lifetime is 750 ps and the binding energy is 67 meV for N-acceptor-bound exciton at low temperature. (c) 2006 American Institute of Physics.

Surface morphology and optical property of 1.3 mu m In0.5Ga0.5As/GaAs self-organized quantum dots grown by MBE

Surface morphology and optical properties of 1.3 mum self-organized InGaAs/GaAs quantum dots structure grown by molecular beam epitaxy have been investigated by atomic force microscopy and photoluminescence measurements. It has been shown that the surface morphology evolution and emission wavelengths of InGaAs/GaAs QDs can be controlled effectively via cycled monolayer deposition methods due to the reduction of the surface strain. Our results provide important information for optimizing the epitaxial parameters for obtaining 1.3 mum long wavelength emission quantum dots structures. (C) 2002 Elsevier Science B.V. All rights reserved.