High-amplitude elastic solitary wave propagation in 1-D granular chains with preconditioned beads: Experiments and theoretical analysis

Elastic solitary waves resulting from Hertzian contact in one-dimensional (1-D) granular chains have demonstrated promising properties for wave tailoring such as amplitude-dependent wave speed and acoustic band gap zones. However, as load increases, plasticity or other material nonlinearities significantly affect the contact behavior between particles and hence alter the elastic solitary wave formation. This restricts the possible exploitation of solitary wave properties to relatively low load levels (up to a few hundred Newtons). In this work, a method, which we term preconditioning, based on contact pre-yielding is implemented to increase the contact force elastic limit of metallic beads in contact and consequently enhance the ability of 1-D granular chains to sustain high-amplitude elastic solitary waves. Theoretical analyses of single particle deformation and of wave propagation in a 1-D chain under different preconditioning levels are presented, while a complementary experimental setup was developed to demonstrate such behavior in practice. The experimental results show that 1-D granular chains with preconditioned beads can sustain high amplitude (up to several kN peak force) solitary waves. The solitary wave speed is affected by both the wave amplitude and the preconditioning level, while the wave spatial wavelength is still close to 5 times the preconditioned bead size. Comparison between the theoretical and experimental results shows that the current theory can capture the effect of preconditioning level on the solitary wave speed.     

Early warning detection of runaway initiation using non-linear approaches

We present a method for early detection of runaway initiation in chemical reactors using only temperature measurements and based on the calculation of the divergence of the system. The method is based on state space reconstruction techniques and is illustrated using simulated as well as experimental datasets. The results show that the method is able to distinguish between runaway and non-runaway situations and it does not produce false alarms during controlled heating/cooling experiments.     

Simulating the fluid forces and fluid-elastic instabilities of a clamped–clamped cylinder in turbulent axial flow

In this paper, the fluid forces and the dynamics of a flexible clamped–clamped cylinder in turbulent axial flow are computed numerically. In the presented numerical model, there is no need to tune parameters for each specific case or to obtain coefficients from experiments. The results are compared with the dynamics measured in experiments available in the literature. The specific case studied here consists of a silicone cylinder mounted in axial water flow. Computationally it is found that the cylinder loses stability first by buckling. The threshold for buckling is in quantitative agreement with experimental results and weakly nonlinear theory. At higher flow speed a fluttering motion is predicted, in agreement with experimental results. It is also shown that even a small misalignment between the flow and the structure can have a significant impact on the dynamical behavior. To provide insight in the results of these fluid–structure interaction simulations, forces are computed on rigid inclined and curved cylinders, showing the existence of two different flow regimes. Furthermore it is shown that the inlet turbulence state has a non-negligible effect on these forces and thus on the dynamics of the cylinder.     

Spectroscopic Investigation on the Formation of a Dinuclear Me2SO–Ru2-Mercaptopyridine Bridged Complex: [Ru2Cl3(μ-pyS)(μ-dmso)(dmso)4]?·?2H2O

Abstract  A dinuclear ruthenium(II) complex double-bridged by an N-aromatic ligand 2-mercaptopyridine (2-pyridinethiol or 2-pyridyl mercaptan) and a methyl sulfoxide (dmso) have been characterized by X-ray crystallography. The reported compound with formula [Ru₂Cl₃(μ-pyS)(μ-dmso)(dmso)₄] · 2H₂O, [C₁₅H₃₆Cl₃NO₇S₆Ru₂] (P2/c, a = 13.8175(2) ?, b = 10.5608(2) ?, c = 21.3544(3) ?, β = 106.090(1)°, V = 2,994.05(8) ?³, Z = 4) represents a seven-membered ring system with both rutheniums in an octahedral geometry. All the hydrogen bonds (C–H–Cl) and the van der Waals contacts give rise to three-dimensional network in the structure and add stability to the dinuclear compound. To our knowledge, this is the first time that the formation of a dinuclear ruthenium(II) complex double-bridged by an N-aromatic ligand 2-mercaptopyridine and dmso have been reported. The study also provided valuable insight into bioinorganic chemistry as continuing efforts are being made to develop metal-based cancer chemotherapeutics. A major feature of this paper is the resolution of a double bridged ruthenium structure which contributes to a better understanding of ruthenium reactivity. Index Abstract  A major feature of this paper is the resolution of a double bridged ruthenium structure which contributes to a better understanding of ruthenium reactivity.      

Energy methods for a parabolic-hyperbolic interface problem arising in electromagnetism

We consider a two-dimensional problem arising from the interaction of electromagnetic waves traveling in air with a metallic body. This problem leads to a parabolic equation inside the body and a hyperbolic equation outside; the two equations interact through jump relations across the boundary of the body. We prove the existence of solutions using energy estimates in conjunction with a Galerkin argument. We also remark on how to obtain similar results in the three-dimensional case.

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Zusammenfassung Wir betrachten ein zweidimensionales Problem, welches bei der Wechselwirkung einer sich in Luft ausbreitenden elektromagnetischen Welle mit einem metallischen Objekt auftritt. Dieses Problem führt auf eine parabolische Gleichung innerhalb des Objekts und eine hyperbolische Gleichung außerhalb; die beiden Gleichungen sind durch Sprungbedingungen an der Grenzfläche gekoppelt. Wir zeigen die Existenz von Lösungen mittels Energieabschätzungen in Verbindung mit einem Galerkin-Argument. Es wird auch angedeutet, wie man ähnliche Resultate im dreidimensionalen Falle erhält.

     

Application of the facility location problem to the problem of locating concentrators on an FAA microwave system

The FAA has decided to install, operate, and maintain its own national microwave network called the Radio Communications Link (RCL) network. With this network and its capability to provide concentration points at any one of its microwave repeater locations, the FAA can substantially reduce its leased line budget. This paper addresses the problem of determining the most cost-effective mix of point-to-point leased lines and tail circuits to RCL concentrators for connecting communicating pairs of FAA facilities. The problem, formulated as an integer programming (IP) problem, is shown to be similar to the facility location problem. Also, like the facility problem, integral optimal solutions are frequently obtained. (The reason integral optimal solutions are frequently obtained for the facility location problem is not known.) Thus it is an example, more complex than the facility location problem, where such a phenomenon occurs. Also, the dimensionality of the problem precludes its being solved all in one piece. In this paper we formulate the problem, relate it to the facility location problem, and provide the partitioning and reduction techniques used to solve it in a reasonable amount of time. The partitioning and reduction techniques are independent of any particular formulation for this type of problem, and the solution methodology that would be applied to any subproblem.     

Comparison of different search engines using validated MS/MS test datasets

Massive amounts of tandem mass spectra are produced in high-throughput proteomics studies. The manual interpretation of these spectra is not feasible. Instead, search engines are used to match the tandem mass spectra with sequence information contained in proteomics and genomics databases. Typically, these search engines provide a list of the best matching peptide sequences for an individual tandem mass spectrum. As well, they provide scores that are somewhat related to the confidence level in the match. Many peptide tandem mass spectra search engines have been reported. These search engines provide very different results depending on the type of mass spectrometers used and their input parameters. Here we describe a comparative analysis of different search engines using validated test sets of tandem mass spectra. We have defined test sets of MS/MS spectra derived from high throughput proteomics experiments performed by HPLC-ESI-MS/MS on ion trap (LCQ) and tandem quadrupole time-of-flight instruments with a pulsar functionality (Qstar Pulsar) mass spectrometers. We analyzed the ability of the different search engines to identify the correct peptides, and the cross-validations of the different search engines.     

Sensitive detection of beryllium using a fiber optic liquid waveguide cell

The metallochromic chelating agent, Chromazurol S, has been utilized in conjunction with a fiber optic liquid waveguide capillary cell to enable the sensitive detection of beryllium in solution (30 ng l⁻¹ detection limit) and following extraction from a contaminated plexiglas surface (0.5 ng cm⁻² detection limit). The addition of a cationic surfactant, cetylpyridinium chloride, to Chromazurol S at pH 10 in Tris-HCl buffer results in the formation of two bathochromic peaks in the visible spectrum following metal chelation by beryllium. The first absorbance band, at 515 nm, is intermediate in nature, permitting maximal sensitivity for low beryllium concentrations, but diminishing in intensity at concentrations above 100 μg l⁻¹. The second absorbance band, centered at 610 nm, dominates for beryllium concentrations of 100 μg l⁻¹ and above. Experimental conditions including pH, buffer type, additive surfactants, masking agents, and dye concentration were investigated in order to optimize detection sensitivity and selectivity. A fiber optic spectrometer is used with both a liquid waveguide capillary cell and 1 cm cuvette cell, to give a sensitive and broad dynamic range for beryllium detection that capitalizes on both beryllium metal chelate absorbance bands formed under these conditions.     

Measurement of nanomechanical properties of biomolecules using atomic force microscopy

The capabilities of atomic force microscopy (AFM) have been rapidly expanding beyond topographical imaging to now allow for the analysis of a wide range of properties of diverse materials. The technique of nanoindentation, traditionally performed via dedicated indenters can now be reliably achieved using AFM instrumentation, enabling mechanical property determination at the nanoscale using the high spatial and force resolutions of the AFM. In the study of biological systems, from biomolecules to complexes, this technique provides insight into how mesoscale properties and functions may arise from a myriad of single biomolecules. In vivo and in situ analyses of native structures under physiological conditions as well as the rapid analysis of molecular species under a variety of experimental treatments are made possible with this technique. As a result, AFM nanoindentation has emerged as a critical tool for the study of biological systems in their natural state, further contributing to both biomaterial design and pharmacological research. In this review, we detail the theory and progression of AFM-based nanoindentation, and present several applications of this technique as it has been used to probe biomolecules and biological nanostructures from single proteins to complex assemblies. We further detail the many challenges associated with mechanical models and required assumptions for model validity. AFM nanoindentation capabilities have provided an excellent improvement over conventional nanomechanical tools and by integration of topographical data from imaging, enabled the rapid extraction and presentation of mechanical data for biological samples.     

The reactivity of human serum albumin toward trans-4-hydroxy-2-nonenal

Mass spectrometry was used to probe the preferred locations of trans-4-hydroxy-2-nonenal (HNE) addition to the cysteine, histidine, and lysine residues of human serum albumin (HSA). Considering only those modified peptides supported by high mass accuracy Orbitrap precursor ion measurements (high confidence hits), with HNE:HSA ratios of 1:1 and 10:1, 3 and 15 addition sites, respectively, were identified. Using less stringent criteria, a total of 34 modifications were identified at the higher concentration. To gain quantitative data, iTRAQ labeling studies were completed. Previous work had identified Cys(34) , the only free cysteine, as the most reactive residue in HSA, and we have found that Lys(199) , His(242/7) , and His(288) are the next most reactive residues. Although the kinetic data indicate that the lysines and histidines can react at relatively similar rates, the results show that lysine addition is much less favorable thermodynamically; under our reaction conditions, lysine addition generally does not go to completion. This suggests that under physiological conditions, HNE addition to lysine is only relevant in situations where unusually high HNE concentrations or access to irreversible secondary reactions are found.