Parametric model of the BAW resonator phase-noise

Excepted for the very short terms the frequency stability of ultra-stable oscillators is mainly limited by the resonator noise. In this work we proposed a parametric model of the bulk acoustic wave (BAW) resonator phase noise based on an equivalent circuit. This model explains phase noise generated by a BAW crystal from a point of view of parametric fluctuations and proves the f⁻¹ dependences of the crystal noise. The model performance is verified with simulation. Simulation results are compared to experimental data and discussed. Comparison of three existing models is made.     

Complex formation between a nanoparticle and a weak polyelectrolyte chain: Monte Carlo simulations

Understanding the complexation processes between nanoparticles and polyelectrolytes is an essential aspect in many branches of nanotechnology, nanoscience, chemistry, and biology to describe processes such as nanoparticle stabilization/destabilization and dispersion, water treatment, microencapsulation, complexation with biomolecules for example, and evolution of the interface of many natural and synthetic systems. In view of the complexity of such processes, applications are often based on empirical or semiempirical observations rather than on predictions based on theoretical or analytical models. In this study, the complex formation between an isolated weak polyelectrolyte and an oppositely charged nanoparticle is investigated using Monte Carlo simulations with screened Coulomb potentials in the grand canonical ensemble. The roles of the nanoparticle surface charge density , solution pH and ionic concentration C_i are systematically investigated. The phase diagrams of complex conformations are also presented. It is shown that the polyelectrolyte conformation at the surface of the nanoparticle is controlled by the attractive interactions with the nanoparticle but also by the repulsive interactions between the monomers. To bridge the gap with experiments titration curves are calculated. We clearly demonstrate that an oppositely charged nanoparticle can significantly modify the acid/base properties of a weak polyelectrolyte.     

Flat Complex Vector Bundles,the Beltrami Differential and W-Algebras

Since the appearance of the paper by Bilal et al. in 1991, it has been widely assumed that W-algebras originating from the Hamiltonian reduction of an SL(n,C)-bundle over a Riemann surface give rise to a flat connection, in which the Beltrami differential may be identified. In this Letter, it is shown that the use of the Beltrami parametrization of complex structures on a compact Riemann surface over which flat complex vector bundles are considered, allows the construction of the above mentioned flat connection. It is stressed that the modulus of the Beltrami differential is of necessity less than one, and that solutions of the so-called Beltrami equation give rise to an orientation-preserving smooth change of local complex coordinates. In particular, the latter yields a smooth equivalence between flat complex vector bundles. The role of smooth diffeomorphisms which induce equivalent complex structures is specially emphasized. Furthermore, it is shown that, while the construction given here applies to the special case of the Virasoro algebra, the extension to flat complex vector bundles of arbitrary rank does not provide generalizations of the Beltrami differential usually considered as central objects for such non-linear symmetries.     

Real-time acoustic classification of sperm whale clicks and shipping impulses from deep-sea observatories

The automated real-time detection and classification of cetacean and anthropogenic sounds from deep-sea observatories can play a key role to study cetaceans in the field, to quantify the impact of anthropogenic sounds or to initiate mitigation measures during potentially harmful human activities. In the area of the NEMO-ONDE deep-sea observatory, sperm whales are often present together with heavy shipping. The spatial coincidence of both sound sources allows for the long term monitoring of their interaction. Some ships produce impulsive sounds and the automated separation of these impulses from sperm whale clicks is not a trivial task. As part of a detection, classification and localisation system for acoustic data from marine observatories, we present four modules performing the automated real-time classification of clicks from sperm whales and impulsive sounds produced by ships. First, two modules detect segments that contain impulsive sounds within a specifiable frequency band and return the impulses’ positions. Then, two modules classify the detected impulses as sperm whale clicks or ship impulses. Finally, at the level of 22 s segments, the classification outputs from individual impulses are combined into a decision on the presence of sperm whale clicks or ship impulses. The modules’ reliability was tested on data from the NEMO-ONDE observatory. Training and testing data were separated by more than 2 months, enabling to assess the consistency of the predictions over the long term. The automated separation between segments of the two classes was high with area under the ROC curve (AUC) values between 0.94 and 0.98.     

Vibrational spectra in cyclopropane series: II. Symmetry and conformation in the gas phase of the monomer and dimer of cyclopropanecarboxylic acid

Infrared and Raman spectra of gaseous cyclopropanecarboxylic acid (C₃H₅COOH and C₃H₅COOD) were measured from 250 to 4000 cm^?1. The bands were assigned respectively to the monomer and to an associate. The depolarization ratio measurement, the vib—rot envelope study and the detailed analysis of the v(CO) and v(CH) regions enabled the symmetry and the conformation of the molecular entities in equilibrium to be determined. The monomer belongs to the C_s symmetry group and the conformation of its predominant fraction is trans/trans. The associate is a centrosymmetrical dimer (C_i symmetry) having (trans/cis)₂ conformation. Some features of the geometry of the pseudocycle are discussed.     

Synthesis of a New Bivalent Hirudin Analog (hirufos), which includes a stable 4′-phosphono-L-phenylalanine mimic of (L-tyrosine O4-sulfate)-63

The synthesis on solid phase of a new derivative of the anticoagulant protein hirudin is described (see Scheme and Fig.1, I ). The henicosapeptide is a bivalent conjugate of the C-terminus of hirudin and of the active-site-binding tetrapeptide D -Phe-Pro-Arg-Pro linked via a tetraglycine spacer. The peptide, for which the name hirufos was coined, incorporates a stable phosphono derivative of L -phenylalanine which, combined with the other structural modifications, leads to a potent anticoagulant agent. Synthesis was readily achieved by the (9H-fluoren-9-yl)-methoxycarbonyl (Fmoc) strategy followed by acidolytic cleavage from the resin and deprotection, including the liberation of the crucial phosphonic group on L -phenylalanine.     

Stereoselectivity of the Radical Reductive Alkylation of Enamines: Importance of the Allylic 1,3-Strain Model

Radical addition to enamines using Bu₃SnH as reducing agent are reported (Schemes 2 and 4). The diastereoselectivity of these reactions was examined in different systems (Tables 1 and 2). Enamines derived from cyclic ketones such as cyclohexanone were alkylated with high diastereoselectivity with preferential formation of the cis-disubstituted cycloalkanes. In acyclic systems such as enamines derived from propiophenone and diethyl ketone, moderate to high stereoselectivities were observed in the H-abstraction step. A model based principally on minimization of allylic 1,3-strain (A^1,3 strain) was deduced from the experimental results and semi-empirical (AM1) calculations.     

Group-theoretical approach to the investigation of reaction graphs for highly degenerate rearrangements of chemical compounds I. Criterion of the connectivity of a graph

We give a necessary and sufficient condition for a reaction graph of a degenerate rearrangement to be connected. This condition is formulated in terms of vertex stabilizers of the automorphism group of a molecular graph. The condition is illustrated on several examples, including the reaction graph of bullvalene. We consider different mathematical models for the construction of reaction graphs and state the problem: which of the models is more adequate?     

Efficient synthesis of substituted 1‐dimethylamino or 1‐methylthio but‐3‐enylidene‐bis‐phosphonates,via the [2,3]‐sigmatropic rearrangement of related transient ammonium or sulfonium ylides

New variously substituted 1‐dimethylamino or 1‐methylthio but‐3‐enylidene‐bis‐phosphonates have been prepared from readily availableα‐dimethylamino or α‐methylthio methylene‐bis‐phosphonates by postulated [2,3]‐Wittig rearrangements of the corresponding N‐ or S‐allylic intermediate ylides. © 1999 John Wiley & Sons, Inc. Heteroatom Chem 10: 281–289, 1999     

Highly fluorinated thermotropic liquid crystals: an update

Fluorine is used in liquid crystal materials in order to give them particular properties as compared to their hydrocarbon homologues. This leads to use of the new compounds as materials mainly in display devices such as Twisted Nematic Liquid Crystals Display (TNLCD) or for the development of Surface Stabilized Ferroelectric smectic C* display (SSFLCDs). In this paper, we describe recent studies and research effort concerning the liquid crystalline behavior of compounds incorporating a highly fluorinated part with more than one fluoromethylene units. We examine some of their mesophase properties and the impact of molecular shape on the resulting liquid crystal behavior.