Forced Waves Near Resonance at a Phase-Speed Minimum

When a dispersive wave system is subject to forcing by a moving external disturbance, a maximum or minimum of the phase speed is associated with a critical forcing speed at which the linear response is resonant. Nonlinear effects can play an important part near such resonances, and the salient characteristics of the nonlinear response depend on whether the maximum or minimum of the phase speed is realized in the long-wave limit (zero wavenumber) or at a finite wavenumber. The focus here is on the latter case that, among other physical systems, applies to gravity–capillary waves on water of finite or infinite depth. The analysis, for simplicity, is based on a forced–damped fifth-order Korteweg–de Vries equation, a model problem that features a phase-speed minimum at a finite wavenumber. When damping is not too strong compared with forcing, multiple subcritical finite-amplitude steady-solution branches coexist with the small-amplitude response predicted by linear theory. For forcing speed well below critical, the transient response from rest approaches the small-amplitude state, but at speeds close to critical, jump phenomena can occur, and reaching a time-periodic state that involves shedding of wavepacket solitary waves is also possible.     

Applications of Automata and Graphs: Labeling-Operators in Hilbert Space I

We show that certain representations of graphs by operators on Hilbert space have uses in signal processing and in symbolic dynamics. Our main result is that graphs built on automata have fractal characteristics. We make this precise with the use of Representation Theory and of Spectral Theory of a certain family of Hecke operators. Let G be a directed graph. We begin by building the graph groupoid $\Bbb{G}$ induced by G, and representations of  $\Bbb{G}$ . Our main application is to the groupoids defined from automata. By assigning weights to the edges of a fixed graph G, we give conditions for $\Bbb{G}$ to acquire fractal-like properties, and hence we can have fractaloids or G-fractals. Our standing assumption on G is that it is locally finite and connected, and our labeling of G is determined by the “out-degrees of vertices”. From our labeling, we arrive at a family of Hecke-type operators whose spectrum is computed. As applications, we are able to build representations by operators on Hilbert spaces (including the Hecke operators); and we further show that automata built on a finite alphabet generate fractaloids. Our Hecke-type operators, or labeling operators, come from an amalgamated free probability construction, and we compute the corresponding amalgamated free moments. We show that the free moments are completely determined by certain scalar-valued functions.     

Performance analysis of an elevator system during up-peak

We model and analyze an elevator system during up-peak. We study the round-trip time, whose distribution depends strongly on the number of passengers waiting at the lobby, as well as the number of stops and the highest reversal floor. The distribution functions of the passenger queue length in the lobby, the round-trip time, the waiting time, the ride time and the journey time are derived.     

Tetrathiafulvalene-calix[4]pyrroles: synthesis, anion binding, and electrochemical properties

The syntheses of monotetrathiafulvalene-calix[4]pyrrole 5 and bistetrathiafulvalene-calix[4]pyrrole 6, prepared from the acid-catalyzed condensation of monopyrrolo[3,4-d]tetrathiafulvalene (MPTTF, 7) with acetone in the presence of tripyrrane 8 and dipyrromethane 9, respectively, are described. Compound 5 and the previously reported tetrathiafulvalene-calix[4]pyrrole 4 both adopt a 1,3-alternative conformation in the solid state, as determined from X-ray crystallographic analysis. The anion binding properties of the tetrathiafulvalene-calix[4]pyrroles 5 and 6, as well as those of the parent meso-octamethylcalix[4]pyrrole (1), were investigated in acetone using (1)H NMR spectroscopic and isothermal titration calorimetry (ITC) techniques and, within the error limits of the methods, were generally found to give concordant results. On the basis of the results of the ITC studies carried out in 1,2-dichloroethane, increasing the number of tetrathiafulvalene units annulated to the calix[4]pyrrole system serves to enhance the anion binding affinities substantially but at the price of lowered selectivity. Cyclic voltammetry (CV) studies, carried out in 1,2-dichloroethane, provided evidence of an anion-dependent electrochemical response with Cl(-) and Br(-) ions. This response was particularly dramatic in the case of the monotetrathiafulvalene-calix[4]pyrrole 5, with a DeltaE(max) of -145 mV being seen after the addition of approximately 1 equiv of Cl(-) ion.     

Direct determination of acylcarnitines in amniotic fluid by column-switching liquid chromatography with electrospray tandem mass spectrometry

A direct, simple, and simultaneous determination of acylcarnitines in amniotic fluid was developed using column-switching liquid chromatography/tandem mass spectrometry (LC/MS/MS). The analytes can be assayed within 20 min without any sample preparation process, and we monitored separated acylcarnitines with positive electrospray ionization (ESI)-MS/MS. The calibration ranges of acylcarnitines were 1 to 100 nmol/L. The linearity of the method was 0.992 to 0.999, and the limits of detection at a signal-to-noise ratio of 3 were 1 nmol/L. The coefficients of variation were in the range of 5.2 to 13.3% for within-day variation and 6.7 to 11.9% for day-to-day, respectively. We detected acylcarnitines in the amniotic fluid of 22 women in the early stages of their pregnancies in the range of 2.2 to 17.2 nmol/L. The proposed method could be applied to diagnosis, monitoring, and biomedical investigations of inborn errors of the organic acid and fatty acid metabolism of the embryo.     

Fully flexible unit cell simulation with recursive thermostat chains

The recursive thermostat chained fully flexible cell molecular dynamic simulation (NsigmaT ensemble) is performed. The ensemble is based on the metric tensor, whose components are used as extended variables. These variables are combined with Nosé-Poincaré recursive thermostat chains. This extended Hamiltonian approach preserves Hamiltonian in structure, and the partition function satisfies the NsigmaT ensemble state in phase space. In the present study, the generalized leap frog method was employed for time integration. The resulting molecular dynamics simulation was performed for bulk and thin film solid materials in the face-centered-cubic crystal structure. Uniaxial tension test and simple shear test are performed to predict the behaviors of a solid material in the bulk state and nanoscale thin film state. The proposed flexible cell method should serve as a powerful tool for the prediction of mechanical and thermal properties of solid materials including nanoscale behavior.     

Catalytic one-pot synthesis of cyclic amidines by virtue of tandem reactions involving intramolecular hydroamination under mild conditions

A new synthetic methodology for the generation of cyclic amidines has been developed by the reaction of 1,n-aminoalkynes with electron-deficient azides using a ruthenium catalyst at ambient temperature. The reaction proceeds most likely via a tandem sequence of intramolecular hydroamination of aminoalkynes, cycloaddition of azides with the resulting enamines, and rearrangement of triazoline intermediates. It demonstrates, as the proof-of-principle, that an equilibria cascade sequence can be favorably driven by an irreversible step, thus enabling a facile one-pot synthetic route to deliver molecular complexity under unprecedented mild conditions without relying on the traditional linear approaches.     

Conducting block copolymer for simple micro- to nanopatterns

To use conducting polymers as substitutes for metals and conventional semiconductors in device fabrication, a cost-effective process for the reproducible deposition of the conducting polymers is needed. In this letter, we report a simple solution casting method for the fabrication of micro- to nanopatterns using the conducting block copolymer, poly(thiophene-block-ethyleneoxide), which shows rectifying characteristics dependent on the pattern width.     

ADAAPT: Amgen's data access, analysis, and prediction tools

The Amgenȁ9s Data Access Analysis Prediction Tools (ADAAPT) system is a desktop decision support tool developed to provide flexible access and analysis of chemical and biological data. The system is platform independent, adaptable, easily deployed, and scalable. It consists of four main modules: access, analysis, prediction, and tools. The access module contains numerous user interfaces designed to retrieve data easily. The analysis module provides standard computational tools to perform property calculation, QSAR/QSPR, and statistical analyses. The prediction module contains in-house models to calculate a drug-likeness score and absorption index. Finally, the tools module provides a wide array of features that are of general interest to our scientists.