The work function of hydrothermally synthesized UO2 and the implications for semiconductor device fabrication

The photoelectric work function of nearly stoichiometric (111) and (100) hydrothermally grown UO₂ was measured to be 6.28 ± 0.36 eV and 5.80 ± 0.36 eV, respectively. Candidate metals for electrical contacts are identified for both rectifying and non‐rectifying contacts based on work function, lattice compatibility, and electrical conductivity.     

On the development of a triple‐preserving Maxwell's equations solver in non‐staggered grids

We present in this paper a finite difference solver for Maxwell's equations in non‐staggered grids. The scheme formulated in time domain theoretically preserves the properties of zero‐divergence, symplecticity, and dispersion relation. The mathematically inherent Hamiltonian can be also retained all the time. Moreover, both spatial and temporal terms are approximated to yield the equal fourth‐order spatial and temporal accuracies. Through the computational exercises, modified equation analysis and Fourier analysis, it can be clearly demonstrated that the proposed triple‐preserving solver is computationally accurate and efficient for use to predict the Maxwell's solutions. Copyright © 2009 John Wiley & Sons, Ltd.     

Design and synthesis of new C-nucleosides as potential adenosine deaminase inhibitors

A number of new pyrazolo[3,4-c] and [4,3-b]pyridine C-nucleosides, which can be viewed as 4- or 6-deazaformycin analogues were synthesized and examined as potential adenosine deaminase (ADA) inhibitors. The compounds were prepared through the condensation of a suitably substituted, lithiated 2- or 4-methylpyridine with tri-O-benzyl-d-ribonolactone, followed by borohydride reduction of the resulting hemiacetals, intramolecular Mitsunobu cyclisation of the derived diols, formation of the pyrazolopyridine ring system and subsequent removal of the protecting groups. These derivatives were designed on the structural basis provided by docking simulations performed within the enzyme catalytic site, however they demonstrated weak ADA inhibitory activity. Theoretical calculations assisted in the interpretation of the obtained biological data, thus providing guidance for rational structural modifications within this molecular scaffold.     

Effect of sp-hybridized defects on the oscillatory behavior of carbon nanotube oscillators

Using molecular dynamics simulations, we investigate the oscillatory behaviors of carbon nanotube oscillators containing sp³-hybridized defects formed by hydrogen chemisorption. It is found that the presence of these defects significantly affects the kinetic and potential energies of the nanotube systems, which in turn affects their oscillation periods and frequencies. We have also studied the oscillatory characteristics of the oscillators containing sp³-hybridized Stone-Wales defects. Our results show that it is possible to control the motion of the inner nanotube by introducing sp³-hybridized defects on the outer nanotube, which provides a potential way to tune the oscillatory behavior of nanotube oscillators.     

Time and Spacetime: The Crystallizing Block Universe

The nature of the future is completely different from the nature of the past. When quantum effects are significant, the future shows all the signs of quantum weirdness, including duality, uncertainty, and entanglement. With the passage of time, after the time-irreversible process of state-vector reduction has taken place, the past emerges, with the previous quantum uncertainty replaced by the classical certainty of definite particle identities and states. The present time is where this transition largely takes place, but the process does not take place uniformly: evidence from delayed choice and related experiments shows that isolated patches of quantum indeterminacy remain, and that their transition from probability to certainty only takes place later. Thus, when quantum effects are significant, the picture of a classical Evolving Block Universe (‘EBU’) cedes place to one of a Crystallizing Block Universe (‘CBU’), which reflects this quantum transition from indeterminacy to certainty, while nevertheless resembling the EBU on large enough scales.     

Derivations on Real and Complex JB*-Triples

At the regional conference held at the University of California,Irvine, in 1985 [24], Harald Upmeier posed three basic questionsregarding derivations on JB*-triples: (1) Are derivations automatically bounded? (2) When are all bounded derivations inner? (3) Can bounded derivations be approximated by inner derivations? These three questions had all been answered in the binary cases.Question 1 was answered affirmatively by Sakai [17] for C*-algebrasand by Upmeier [23] for JB-algebras. Question 2 was answeredby Sakai [18] and Kadison [12] for von Neumann algebras andby Upmeier [23] for JW-algebras. Question 3 was answered byUpmeier [23] for JB-algebras, and it follows trivially fromthe Kadison–Sakai answer to question 2 in the case ofC*-algebras. In the ternary case, both question 1 and question 3 were answeredby Barton and Friedman in [3] for complex JB*-triples. In thispaper, we consider question 2 for real and complex JBW*-triplesand question 1 and question 3 for real JB*-triples. A real orcomplex JB*-triple is said to have the inner derivation propertyif every derivation on it is inner. By pure algebra, every finite-dimensionalJB*-triple has the inner derivation property. Our main results,Theorems 2, 3 and 4 and Corollaries 2 and 3 determine whichof the infinite-dimensional real or complex Cartan factors havethe inner derivation property.     

Analysis of the pi-pi stacking interactions between the aminoglycoside antibiotic kinase APH(3')-IIIa and its nucleotide ligands

A key contact in the active site of an aminoglycoside phosphotransferase enzyme (APH(3')-IIIa) is a pi-pi stacking interaction between Tyr42 and the adenine ring of bound nucleotides. We investigated the prevalence of similar Tyr-adenine contacts and found that many different protein systems employ Tyr residues in the recognition of the adenine ring. The geometry of these stacking interactions suggests that electrostatics play a role in the attraction between these aromatic systems. Kinetic and calorimetric experiments on wild-type and mutant forms of APH(3')-IIIa yielded further experimental evidence of the importance of electrostatics in the adenine binding region and suggested that the stacking interaction contributes approximately 2 kcal/mol of binding energy. This type of information concerning the forces that govern nucleotide binding in APH(3')-IIIa will facilitate inhibitor design strategies that target the nucleotide binding site of APH-type enzymes.     

New spectroscopy solves an old puzzle: the Kondo scale in heavy fermions

Resonant inelastic x-ray scattering (RIXS) yields clear evidence of spectroscopic Kondo scales in heavy fermions. In YbInCu4 and YbAgCu4 RIXS probes the Yb2+ component of the hybrid ground state and the temperature dependence of the Yb 4f occupation. We report a sudden valence change at a phase transition in YbInCu4, but a continuous temperature dependence in YbAgCu4, consistent with the predictions of the Anderson impurity model, for a Kondo temperature T(K) = 70 K. These results solve a long-standing controversy and establish RIXS as a quantitative probe of the electronic structure of strongly correlated electron systems.     

Electro-optic detection of femtosecond electromagnetic pulses by use of poled polymers

We report the generation and coherent detection of freely propagating ultrashort baseband electromagnetic pulses. Using optical rectification in ?110? GaAs for wideband emission and electro-optic sampling in a poled polymer for wideband detection, we demonstrate spectral sensitivity that extends from the far infrared (lambda~100 mum) to ~33 THz(lambda = 9 mum) . Over a band of nearly 20 THz, a relatively flat frequency response is observed. We discuss issues that limit the response bandwidth.