Structure of enantiopure and racemic alanine adlayers on Cu(1 1 0)

Plane wave density functional theory has been employed to analyze the structure of alanine adlayers on the Cu(1 1 0) surface. Alanine forms (3 × 2) adlayers on Cu(1 1 0) that are closely related to the structures of glycine on the same surface. There is essentially no energy difference between the most stable racemic and enantiopure alanine adlayers. This observation implies that adsorption of racemic alanine on Cu(1 1 0) will result in a pseudoracemate adlayer.     

Combined-modality treatment of adductor spasmodic dysphonia with botulinum toxin and voice therapy

A combined-modality treatment program consisting of botulinum toxin injection (Botox) and voice therapy was used to treat 17 subjects diagnosed with adductor spasmodic dysphonia (ADD SD). Ten subjects with ADD SD served as the control and were given Botox only. Voice therapy after Botox injection was directed toward reducing the hyperfunctional vocal behaviors, primarily glottal overpressure at voice onset and anterior-posterior squeezing. The results indicated that subjects who underwent combined-modality treatment maintained significantly higher mean airflow rates for significantly longer periods. Moreover, there was a carryover effect in these patients when they received Botox only. Adductor spasmodic dysphonia is treated most effectively when intrinsic laryngeal muscle spasms are reduced or eliminated by Botox injection and extrinsic hyperfunctional vocal behaviors are treated with voice therapy     

Quantitative Impact of a Cognitive Modeling Intelligent Tutoring System on Student Performance in Balancing Chemical Equations

The need for improved interactive tutoring capabilities in educational software for chemistry problem solving is an important one clearly articulated by teachers and students. To deliver the next generation of individualized interactive capabilities users demand, it is necessary to go beyond the conventional computer-assisted instruction methodology. The focus of this paper is the assessment with first-semester general chemistry students of a recently developed artificial intelligence (AI) tutor for balancing chemical equations. This is the first such assessment of an AI-based learning tool in chemistry. Students in CHEM 121 in the Fall 2001 semester at Duquesne University (N = 273) participated in the study. Students were divided into a test group that used the AI tutor as part of their study activities and a control group that did not use the tutor. It was found that the tutor improved the performance of the test group students to a statistically significant degree, helping the weakest students the most. This study establishes the feasibility of an AI-based approach to creating advanced new tutoring software for chemistry problem solving. Access to a Web-based demonstration of the equation-balancing tutor may be obtained by emailing the corresponding author.     

Microdrilling for fabricating micrometer-scale holes in soft matter

Probing the response of soft materials at small scales requires examining fundamental behaviors that are often distinct from large-scale interactions. In the development of micrometer- and nanometer-sized holes in soft materials, understanding failure modes becomes essential. We observe fracture behavior in a soft material through a novel method, which leads to the fabrication of small-scale holes in polydimethylsiloxane. We utilize an ultra-sharp tungsten needle to drill this soft elastomeric polymer; this results in controlled hole size and exhibits fracture characteristics observed in brittle materials at larger length scales. We also examine the macroscopic characteristics known to contribute to brittleness and hardness for this material’s response with respect to curing times. This understanding will contribute to many applications including the development of porous materials and DNA sequencing efforts. PACS 81.05.Lg; 81.40.Np; 82.35.Lr     

Cooperative Strategies for Solving the Bicriteria Sparse Multiple Knapsack Problem

For hard optimization problems, it is difficult to design heuristic algorithms which exhibit uniformly superior performance for all problem instances. As a result it becomes necessary to tailor the algorithms based on the problem instance. In this paper, we introduce the use of a cooperative problem solving team of heuristics that evolves algorithms for a given problem instance. The efficacy of this method is examined by solving six difficult instances of a bicriteria sparse multiple knapsack problem. Results indicate that such tailored algorithms uniformly improve solutions as compared to using predesigned heuristic algorithms.     

Online weighted flow time and deadline scheduling

In this paper we study some aspects of weighted flow time. We first show that the online algorithm Highest Density First is an O(1)-speed O(1)-approximation algorithm for P|r_i,pmtn|∑w_iF_i. We then consider a related Deadline Scheduling Problem that involves minimizing the weight of the jobs unfinished by some unknown deadline D on a uniprocessor. We show that any c-competitive online algorithm for weighted flow time must also be c-competitive for deadline scheduling. We then give an O(1)-competitive algorithm for deadline scheduling.     

The chemisorption of pentacene on Si(0 0 1)-2 × 1

Adsorption structures of the pentacene (C₂₂H₁₄) molecule on the clean Si(0 0 1)-2 × 1 surface were investigated by scanning tunneling microscopy (STM) in conjunction with density functional theory calculations and STM image simulations. The pentacene molecules were found to adsorb on four major sites and four minor sites. The adsorption structures of the pentacene molecules at the four major sites were determined by comparison between the experimental and the simulated STM images. Three out of the four theoretically identified adsorption structures are different from the previously proposed adsorption structures. They involve six to eight Si-C covalent chemical bonds. The adsorption energies of the major four structures are calculated to be in the range 67-128 kcal/mol. It was also found that the pentacene molecule hardly hopped on the surface when applying pulse bias voltages on the molecule, but was mostly decomposed.     

Asymptotic expansions for Markov processes with lévy generators

This paper considers a deterministic flow inn-dimensional space, perturbed by a Markov jump process with small variance. Asymptotic expansions are obtained for certain functionals of Feynman—Kac type, in powers of a small parameter representing a noise intensity. The methods are analytical rather than probabilistic.The research of the first author was partly supported by AFOSR under Contract No. 91-0116-0, by ONR under Contract No. N0014-83-K-0542, and by the Institute for Mathematics and Its Applications with funds provided by the NSF and ONR. The second author's research was partly supported by NSF under Contract No. DMS-8702537, and by the Institute for Mathematics and Its Applications with funds provided by the NSF and ONR.     

Palladium-Catalyzed Buchwald-Hartwig Type Amination of Fluorous Arylsulfonates

Palladium-catalyzed cross-coupling reactions of aryl perfluorooctanesulfonates with amines are introduced. Application of the fluorous tag in multistep synthesis of triaryl-substituted pyrimidine is also described.