InGaN/GaN p-i-n Photodiodes Fabricated with Mg-Doped p-InGaN Layer

Mg-doped p-InGaN layers with In composition of about 10% are grown by metalorganic chemical vapor deposition (MOCVD). The effect of the annealing temperature on the p-type behavior of Mg-doped InGaN is studied. It is found that the hole concentration in p-InGaN increases with a rising annealing temperature in the range of 600 850 C, while the hole mobility remains nearly unchanged until the annealing temperature increases up to 750 C, after which it decreases. On the basis of conductive p-type InGaN growth, the p-In0.1Ga0.9N/i-In0.1Ga0.9N/n-GaN junction structure is grown and fabricated into photodiodes. The spectral responsivity of the InGaN/GaN p-i-n photodiodes shows that the peak responsivity at zero bias is in the wavelength range 350-400 nm.

Neutron spectroscopic factors of Ar-34 and Ar-46 from (p,d) transfer reactions

Single-neutron-transfer measurements using (p,d) reactions have been performed at 33 MeV per nucleon with proton-rich Ar-34 and neutron-rich Ar-46 beams in inverse kinematics. The extracted spectroscopic factors are compared to the large-basis shell-model calculations. Relatively weak quenching of the spectroscopic factors is observed between Ar-34 and Ar-46. The experimental results suggest that neutron correlations have a weak dependence on the asymmetry of the nucleus over this isotopic region. The present results are consistent with the systematics established from extensive studies of spectroscopic factors and dispersive optical-model analyses of Ca40-49 isotopes. They are, however, inconsistent with the trends obtained in knockout-reaction measurements.

The effect of hyperfine interaction on the lifetime of the 3s3p P-3(2) level of Mg-like ions

On the basis of previous work, the hyperfine-induced 3s3p P-3(2) -> 3s(2) S-1(0) E1 transition probabilities of Mg-like ions were further calculated using the GRASP2K package based on the multiconfiguration Dirac-Hartree-Fock method. The contribution to the lifetime of the P-3(2) level from the 3s3p P-3(2) -> 3s(2) S-1(0) hyperfine-induced E1, 3s3p P-3(2) -> 3s3p P-3(1) M1, 3s3p P-3(2) -> 3s(2) S-1(0) M2 and 3s3p P-3(2) -> 3s3p P-3(0,1) E2 transition was discussed in detail. It was found that hyperfine interaction has an obvious effect on the lifetime at the beginning of the Mg-like isoelectronic sequence.

Comparison of steroid substrates and inhibitors of P-glycoprotein by 3D-QSAR analysis

Steroid derivatives show a complex interaction with P-glycoprotein (Pgp). To determine the essential structural requirements of a series of structurally related and functionally diverse steroids for Pgp-mediated transport or inhibition, a three-dimensional quantitative structure activity relationship study was performed by comparative similarity index analysis modeling. Twelve models have been explored to well correlate the physiochemical features with their biological functions with Pgp on basis of substrate and inhibitor datasets, in which the best predictive model for substrate gave cross-validated q(2) = 0.720, non-cross-validated r(2) = 0.998, standard error of estimate SEE = 0.012, F = 257.955, and the best predictive model for inhibitor gave q(2) = 0.536, r(2) = 0.950, SEE = 1.761 and F = 45.800. The predictive ability of all models was validated by a set of compounds that were not included in the training set. The physiochemical similarities and differences of steroids as Pgp substrate and inhibitor, respectively, were analyzed to be helpful in developing new steroid-like compounds. (C) 2004 Elsevier B.V. All rights reserved.

Theoretical estimation of thermodynamic properties of the system PS/PPO on the basis of modified combining rule of Sanchez-Lacombe lattice fluid model

The three scaling parameters described in Sanchez-Lacombe lattice fluid theory (SLLFT), T*, P* and rho* of pure polystyrene (PS), pure poly(2,6-dimethyl-1,4-phenylene oxide) (PPO) and their mixtures are obtained by fitting corresponding experimental pressure volume-temperature data with equation-of-state of SLLFT. A modified combining rule in SLLFT used to match the volume per mer, v* of the PS/PPO mixtures was advanced and the enthalpy of mixing and Flory-Huggins (FH) interaction parameter were calculated using the new rule. It is found that the difference between the new rule and the old one presented by Sanchez and Lacombe is quite small in the calculation of the enthalpy of mixing and FH interaction parameter and the effect of volume-combining rule on the calculation of thermodynamic properties is much smaller than that of energy-combining rule. But the relative value of interaction parameter changes much due to the new volume-based combining rule. This effect can affect the position of phase diagram very much, which is reported elsewhere [Macromolecules 34 (2001) 6291]

P-6(7/2)-excited-state decay mechanism and energy-transfer processes in KMgF3 : Eu2+ and KMgF3 : EuX (X = Gd, Ce, Cr)

A four-level decay model in KMgF3:Eu2+ is proposed. The decay profiles of the P-6(7/2) excited state of Eu2+ are biexponential, and the physical implication of each term in the fit equation responsible for the model is interpreted. The evidence obtained spectroscopically for supporting the model is presented. A new method to study energy transfer between Eu2+ and X3+ in KMgF3:Eu-X (X = Gd, Ce, Cr) is established on the basis of the proposed model.

Nuclear magnetic resonance spectral assignments of 2,2 '-bis(p-aminobenzoic ester)-1,1 '-binaphthyl

H-1 and C-13 nuclear magnetic resonance (NMR) spectra of 2, 2'-bis(p-aminobenzoic ester)-1,1'-binaphthyl were assigned and confirmed using 2D H-1-H-1 COSY, C-13-H-1 HETCOR and C-13-H-1 long-range HETCOR methods. This provided a basis for NMR characterization of the similar compounds.

A Radial Basis Function Approach to Financial Time Series Analysis

Nonlinear multivariate statistical techniques on fast computers offer the potential to capture more of the dynamics of the high dimensional, noisy systems underlying financial markets than traditional models, while making fewer restrictive assumptions. This thesis presents a collection of practical techniques to address important estimation and confidence issues for Radial Basis Function networks arising from such a data driven approach, including efficient methods for parameter estimation and pruning, a pointwise prediction error estimator, and a methodology for controlling the "data mining'' problem. Novel applications in the finance area are described, including customized, adaptive option pricing and stock price prediction.

Basis Reduction Algorithms and Subset Sum Problems

This thesis investigates a new approach to lattice basis reduction suggested by M. Seysen. Seysen's algorithm attempts to globally reduce a lattice basis, whereas the Lenstra, Lenstra, Lovasz (LLL) family of reduction algorithms concentrates on local reductions. We show that Seysen's algorithm is well suited for reducing certain classes of lattice bases, and often requires much less time in practice than the LLL algorithm. We also demonstrate how Seysen's algorithm for basis reduction may be applied to subset sum problems. Seysen's technique, used in combination with the LLL algorithm, and other heuristics, enables us to solve a much larger class of subset sum problems than was previously possible.

Li+ Diffusion and its Structural Basis in the Nanocrystalline and Amorphous Forms of Two-dimensionally Ion-conducting LixTiS2

Winter, Rudolf; Heitjans, P., (2001) 'Li+ Diffusion and its Structural Basis in the Nanocrystalline and Amorphous Forms of Two-dimensionally Ion-conducting LixTiS2', Journal of Physical Chemistry B 105(26) pp.6108-6115 RAE2008

Coronavirus Main Proteinase (3CLpro) Structure: Basis for Design of Anti-SARS Drugs

A novel coronavirus has been identified as the causative agent of severe acute respiratory syndrome (SARS). The viral main proteinase (Mpro, also called 3CLpro), which controls the activities of the coronavirus replication complex, is an attractive target for therapy. We determined crystal structures for human coronavirus (strain 229E) Mpro and for an inhibitor complex of porcine coronavirus [transmissible gastroenteritis virus (TGEV)] Mpro, and we constructed a homology model for SARS coronavirus (SARS-CoV) Mpro. The structures reveal a remarkable degree of conservation of the substrate-binding sites, which is further supported by recombinant SARS-CoV Mpro-mediated cleavage of a TGEV Mpro substrate. Molecular modeling suggests that available rhinovirus 3Cpro inhibitors may be modified to make them useful for treating SARS.

Multi-state CDW approximation to electron capture during slow p-H collisions

The first complete multi-state CDW close coupling calculations which use a fully normalized basis set are performed. The results obtained at impact energies in the region of 10 keV for total and n = 2 capture cross sections are in reasonably good accord with experiment despite the fact that only the ground states of both species and the n = 2 states of the projectile are incorporated into the model. The theory has significant advantages over other atomic and molecular expansions which may require extensive bases to obtain similar accuracy.