Monte Carlo Methods for Estimating Interfacial Free Energies and Line Tensions

Excess contributions to the free energy due to interfaces occur for many problems encountered in the statistical physics of condensed matter when coexistence between different phases is possible (e.g. wetting phenomena, nucleation, crystal growth, etc.). This article reviews two methods to estimate both interfacial free energies and line tensions by Monte Carlo simulations of simple models, (e.g. the Ising model, a symmetrical binary Lennard-Jones fluid exhibiting a miscibility gap, and a simple Lennard-Jones fluid). One method is based on thermodynamic integration. This method is useful to study flat and inclined interfaces for Ising lattices, allowing also the estimation of line tensions of three-phase contact lines, when the interfaces meet walls (where “surface fields” may act). A generalization to off-lattice systems is described as well. The second method is based on the sampling of the order parameter distribution of the system throughout the two-phase coexistence region of the model. Both the interface free energies of flat interfaces and of (spherical or cylindrical) droplets (or bubbles) can be estimated, including also systems with walls, where sphere-cap shaped wall-attached droplets occur. The curvature-dependence of the interfacial free energy is discussed, and estimates for the line tensions are compared to results from the thermodynamic integration method. Basic limitations of all these methods are critically discussed, and an outlook on other approaches is given.     

Characterization and activity of sonochemically-prepared BSA microspheres containing Taxol--an anticancer drug

Proteinaceous microspheres of BSA (Bovine Serum Albumin) containing an anticancer drug, Taxol (paclitaxel) were fabricated using a sonochemical procedure and then assayed for chemical and biological activity. The sonochemical reaction did not compromise the drug, which became encapsulated in the BSA microspheres. The amount of the anticancer drug in the microspheres was determined by HPLC. Anticancer activity of the proteinaceous microspheres encapsulating the Taxol was tested on Mouse Multiple Myeloma cell line MPC-11. The influence of the Taxol microspheres on the cancer cells was different from pristine Taxol. It was found that Taxol in combination with the organic solvent causes the death of cancer cells.     

Spectral- and frequency-encoded fluorescence imaging

A method for obtaining fluorescence images with a high number of resolvable points by using spectral and frequency encoding is presented. Broadband excitation light is encoded with a wavelength-dependent frequency modulation and dispersed onto the sample with a grating to simultaneously illuminate an entire image line. The Fourier transform of the frequency-encoded fluorescence emission provides one line of the image. Mechanical scanning along a direction orthogonal to the wavelength-encoded axis allows creation of the two-dimensional fluorescent image. This method is applicable for developing submillimeter diameter endoscopes. The principles of the technique are validated by imaging indocyanine green fluorescence in microfluidic channels.     

The semiclassical regime of the chaotic quantum-classical transition

An analysis of the semiclassical regime of the quantum-classical transition is given for open, bounded, one-dimensional chaotic dynamical systems. Environmental fluctuations-characteristic of all realistic dynamical systems-suppress the development of a fine structure in classical phase space and damp nonlocal contributions to the semiclassical Wigner function, which would otherwise invalidate the approximation. This dual regularization of the singular nature of the semiclassical limit is demonstrated by a numerical investigation of the chaotic Duffing oscillator.     

Evidence for the exclusive decay B(c)+- --> J/psi pi+- and measurement of the mass of the B(c)+- meson

We report the first evidence for a fully reconstructed decay mode of the B(c)+- meson in the channel B(c)+- --> J/psi pi+-, with J/psi --> mu+ mu-. The analysis is based on an integrated luminosity of 360 pb(-1) in pp collisions at 1.96 TeV center of mass energy collected by the Collider Detector at Fermilab. We observe 14.6 +/- 4.6 signal events with a background of 7.1 +/- 0.9 events, and a fit to the J/psi pi+-mass spectrum yields a B(c)+- mass of 6285.7 +/- 5.3(stat) +/- 1.2(syst) MeV/c2. The probability of a peak of this magnitude occurring by random fluctuation in the search region is estimated as 0.012%.     

Measurement of the inclusive jet cross section using the kT algorithm in pp collisions at (square root s)=1.96 TeV

We report on a measurement of the inclusive jet production cross section as a function of the jet transverse momentum in pp collisions at (square root s)=1.96 TeV using data collected with the upgraded Collider Detector at Fermilab in run II, corresponding to an integrated luminosity of 385 pb-1. The measurement is carried out for jets with rapidity 0.1相似文献   

Conformational Isomerism in Monomeric,Low‐Coordinate Group 12 Complexes Stabilized by a Naphthyl‐Substituted m‐Terphenyl Ligand

The synthesis and characterization of the first series of low‐coordinate bis(terphenyl) complexes of the Group 12 metals, [Zn(2,6‐Naph₂C₆H₃)₂] ( 1 ), [Cd(OEt₂)(2,6‐Naph₂C₆H₃)₂] ( 2 ) and [Hg(OEt₂)(2,6‐Naph₂C₆H₃)₂] ( 3 ) (Naph=1‐C₁₀H₇) are described. The naphthyl substituents of the terphenyl ligands confer considerable steric bulk, and as a result of limited flexibility introduce multiple conformations to these unusual systems. In the solid state, complex 1 features a two‐coordinate Zn centre with the ligands oriented in a syn/anti conformation, whereas the three‐coordinate distorted T‐shaped complexes 2 and 3 feature the ligands in the syn/syn configurations. The results of DFT calculations are in good agreement with the solid‐state configurations for these complexes and support the spectroscopic measurements, which indicate several conformers in solution.