Process Simulation Using Randomized Markov Chain and Truncated Marginal Distribution

Generating pseudo random objects is one of the key issues in computer simulation of complex systems. Most earlier simulation systems include procedures for the generation of independent and identically distributed random variables or some classical random processes, such as white noise. In this paper we propose a new approach to the generation of wide ranges of processes that are characterized by marginal distribution and autocorrelation function that are significant in many cases. The proposed algorithm is based on the use of truncated distribution that gives more simplicity and efficiency in comparison with the previous one. The effectiveness of the proposed algorithm is verified using computer simulation of various real examples.     

Novel initiating system based on AlCl3 etherate for quasiliving cationic polymerization of styrene

Summary Quasiliving cationic polymerization of styrene was obtained in the system 2-phenyl-2-propano-/AlCl₃·OBu₂/Bu₂O in a mixture of 1,2-dichloroethane and n-hexane (55:45 viv) at -15 °C. The molecular weights of the polymers (M_n) increased in direct proportion to the monomer conversion. However, the experimental M_ns are essentially higher than theoretical ones, indicating that slow initiation relative to propagation takes place. The molecular weight distributions were broad (M_w/M_n2.5), probably due to the slow initiation and slow exchange between reversibly terminated and propagating species.     

Real-time phase tracking in single-photon interferometers

A new technique for phase tracking in quantum cryptography systems is proposed that adjusts phase in an optimal way, using only as many photon counts as necessary. We derive an upper bound on the number of photons that need to be registered during phase adjustment to achieve a given phase accuracy. It turns out that most quantum cryptosystems can successfully track phase on a single-photon level, entirely with software, without any additional hardware components or extensive phase-stabilization measures. The technique is tested experimentally on a quantum cryptosystem.     

Characterization of atmospheric aerosols from infrared measurements: simulations, testing, and applications

An inversion method for the characterization of atmospheric condensed phases from infrared (IR) spectra is described. The method is tested with both synthetic IR spectra and the spectra of particles that flow in a cryogenic flow tube. The method is applied to the IR spectra recorded by the Atmospheric Trace Molecule Spectroscopy instrument carried by the Space Shuttle during three missions in 1992, 1993, and 1994. The volume density and particle size distribution for sulfate aerosol are obtained as a function of altitude. The density and size distribution of ice particles in several cirrus clouds are also retrieved. The probable radius of the ice particles in the high-altitude (10-15-km) cirrus clouds is found to be approximately 6-7 microm.     

Stabilization and activation of {alpha}-chymotrypsin in water-organic solvent systems by complex formation with oligoamines

Formation of enzyme–oligoamine complexes was suggestedas an approach to obtain biocatalysts with enhanced resistancetowards inactivation in water–organic media. Complex formationresults in broadening (by 20–40% v/v ethanol) of the rangeof cosolvent concentrations where the enzyme retains its catalyticactivity (stabilization effect). At moderate cosolvent concentrations(20–40% v/v) complex formation activates the enzyme (by3–6 times). The magnitude of activation and stabilizationeffects increases with the number of possible electrostaticcontacts between the protein surface and the molecules of oligoamines(OA). Circular dichroism spectra in the far-UV region show thatcomplex formation stabilizes protein conformation and preventsaggregation in water–organic solvent mixtures. Two populationsof the complexes with different thermodynamic stabilities werefound in -chymotrypsin (CT)–OA systems depending on theCT/OA ratio. The average dissociation constants and stoichiometriesof both low- and high-affinity populations of the complexeswere estimated. It appears that it is the low-affinity siteson the CT surface that are responsible for the activation effect.     

Lens based on the use of left-handed materials

A new lens that is a modification of the Veselago lens is proposed. It consists of a slab of the left-handed material embedded into a regular material. The materials for the new lens should have the same refractive index, unlike that of the Veselago lens in which the materials should in addition have the same impedance. Therefore the new lens should be easier to manufacture. As the Veselago lens, the new lens might be useful for the three dimensional imaging. In contrast to the Veselago lens the new lens has multiple foci, and it may image an object that is located at any large distance from the slab.     

Image-driven virtual simulation of arthroscopy

In recent years, minimally invasive arthroscopic surgery has replaced a number of conventional open orthopedic surgery procedures on joints. While this achieves a number of advantages for the patient, the surgeons have to learn very different skills, since the surgery is performed with special miniature pencil-like tools and cameras inserted through little incisions while observing the surgical field on video monitor. Therefore, virtual reality simulation becomes an alternative to traditional surgical training based on hundreds years old apprentice–master model that involves either real patients or increasingly difficult to procure cadavers. Normally, 3D simulation of the virtual surgical field requires significant efforts from the software developers but yet remains not always photorealistic. In contrast to this, for photorealistic visualization and haptic interaction with the surgical field we propose to use real arthroscopic images augmented with 3D object models. The proposed technique allows for feeling the joint cavity displayed on video monitor as real 3D objects rather than their images while various surgical procedures, such as menisectomy, are simulated in real time. In the preprocessing stage of the proposed approach, the arthroscopic images are stitched into panoramas and augmented with implicitly defined object models representing deformable menisci. In the simulation loop, depth information from the mixed scene is used for haptic rendering. The scene depth map and visual display are reevaluated only when the scene is modified.     

A theory of topological separation of linear and star-shaped polymers by two-dimensional chromatography

Topology influences the size of macromolecules, but polymers are usually distributed with respect to molar mass, which also results in the size distribution within a polymeric sample. Due to this fact size-exclusion chromatography (SEC) is not able to separate even moderately polydisperse polymers by topology; the same is also true for the adsorption chromatography (AC). The full separation by molar mass and topology is not possible by any single mode of chromatography. These problems can be solved by means of two-dimensional chromatography which combines SEC and AC mechanisms. A theory of interactive chromatography of linear and star-shaped ideal-chain polymers is used to analyze two-dimensional chromatographic separation of polydisperse linear and star polymers. Basing on this theory, we simulate 2D-chromatograms for model mixtures of polydisperse linear and star-shaped polymers of equal average molar mass, and demonstrate that 2D-separation of such polymers by topology is possible. A possibility to separate symmetric and very asymmetric stars by 2D-chromatography is predicted. The influence of the molar-mass heterogeneity, pore size and adsorption interaction parameter on the 2D chromatographic pattern is analysed, and the conditions for a good separation of linear and star polymers are formulated. The theoretical results are in a qualitative agreement with the experimental data, which have been reported previously by Gerber and Radke.     

Effect of chitosan glutamate,carbomer 974P,and EDTA on the in vitro Caco-2 permeability and oral pharmacokinetic profile of acyclovir in rats

Background: Chitosan glutamate and polyacrylic acid (e.g., carbomer 974P) are known to modulate the tight junctions in the intestinal wall and increase permeability and blood exposure of drugs absorbed orally by the paracellular route. Aim: To assess the impact of chitosan glutamate and carbomer 974P on the absorption of paracellularly absorbed model drug, acyclovir, in vitro and in rat in vivo. Methods: The influence of chitosan glutamate and carbomer 974P (alone and in combination with EDTA–Na2) on the in vitro Caco-2 permeability and oral pharmacokinetic profile in the rat of acyclovir was investigated. Results: In the presence of chitosan glutamate, the apparent permeability of acyclovir across Caco2 monolayer increased 4.1 times relative to control. This increase was accompanied by a significant (～60%) decrease in transepithelial electrical resistance values indicating opening of the tight junctions in the cell monolayer. In rat, chitosan glutamate doubled oral bioavailability of acyclovir and tripled the amount of acyclovir excreted unchanged into urine. In contrast, the effect of carbomer 974P was not statistically significant at 5% level. Conclusions: In conclusion, chitosan glutamate (1–3%) and chitosan glutamate (1%)/EDTA–Na2 (0.01%) are effective excipients to increase permeability of acyclovir across Caco-2 cell monolayers and the oral absorption in the rat in vivo.     

Processing of Soot by Controlled Sulphuric Acid and Water Condensation—Mass and Mobility Relationship

The effects of atmospheric processing on soot particle morphology were studied in the laboratory using the Differential Mobility Analyzer-Aerosol Particle Mass Analyzer (DMA-APM) and the DMA-DMA (Tandem DMA) techniques. To simulate atmospheric processing, combustion soot agglomerates were altered by sulphuric acid vapor condensation, relative humidity (RH) cycling, and evaporation of the sulphuric acid and water by heating. Primary investigated properties were particle mobility size and mass. Secondary properties, derived from these, include effective density, fractal dimension, dynamic shape factor, and the mass fraction of condensed material. A transformation of the soot particles to more compact forms occurs as sulphuric acid and water condense onto fresh soot. The particle mass increases and initially the mobility diameter decreases, indicating restructuring of the soot core, likely due to surface tension forces. For a given soot source and condensing liquid, the degree of compaction depends strongly on the mass (or volume) fraction of condensed material. For water and sulphuric acid condensing on combustion soot, a mass increase of 2–3 times is needed for a transformation to spherical particles. In the limit of spherical particles without voids, the effective density then approaches the inherent material density, the fractal dimension approaches 3 and the dynamic shape factor approaches 1. Our results indicate that under typical atmospheric conditions, soot particles will be fully transformed to spherical droplets on a time scale of several hours. It is expected that the morphology changes and addition of soluble material to soot strongly affect the optical and hygroscopic properties of soot.