Phase transitions in lattice gas models for water

Water-like lattice gases on the triangular and body-centered cubic lattices are investigated. Molecules may reside on the lattice sites in either of two possible orientations, a hydrogen bond being formed between molecules on neighboring sites if they have the proper orientation with respect to one another. For a range of chemical potential at sufficiently low temperatures, the models are shown to have an ordered phase consisting of an open, hydrogen-bonded, icelike structure. The models are shown to be transitionfree at sufficiently high temperature, indicating the existence of a critical point.Research supported in part by the U.S. National Science Foundation, Grant CHE-7726177, and by The Robert A. Welch Foundation, Grant P-446.     

Intraoperative contrast-enhanced MR-imaging as predictor of tissue damage during cryoablation of porcine liver

This study evaluate intraoperative Magnetic Resonance Imaging (MRI) as predictor of tissue damage following cryoablation of porcine liver with and without concomitant hepatic vascular inflow occlusion.Inflow occlusion was used during freezing in 6 of 12 pigs included. The volumes of the procedural ice-balls were estimated from MR images. Immediately after thawing contrast (MnDPDP) enhanced MRI was performed to estimate the volume of the cryolesion. Four days after ablation MRI was repeated of the in-vivo and the ex-vivo liver. Photography was performed of the sliced liver specimens to estimate the volumes of the lesions. The intraoperative volume of the cryolesion as shown by contrast enhanced MRI corresponded well to the ice-ball volume for lesions made without vascular occlusion (difference 0.3 +/- 0.9 cm(3), p = 0.239). For lesions made during occlusion the volume of the intraoperative cryolesion was larger than the corresponding ice-ball (difference 7.5 +/- 3.3 cm(3), p = 0.003). The volume of the cryolesions as estimated from histopathology four days after freezing and contrast enhanced MRI immediately after freezing corresponded well for lesions made with (difference -2.6 +/- 4.5 cm(3), p = 0.110) and without vascular occlusion (difference -0.5 +/- 2.3 cm(3), p = 0.695).Intraoperative MnDPDP-enhanced MRI of the cryolesion is predictive of the tissue damage induced during cryoablation of porcine liver. The procedural ice-ball is not, if induced during inflow occlusion.     

Directional synthesis of a dye-linked conducting homopolymer

We report a new synthesis of a 10,20-diphenyl-5,15-bis(4-cyanophenyl)porphyrin (1) and its reduction to give 10,20-diphenyl-5,15-bis(4-formylphenyl)porphyrin (2). When the conducting polymer poly(2',5'-dioctyl-4,4' '-terphenylenecyanovinylene) was prepared in the presence of 2, we obtained a three-domain structure, compound 3, consisting of two homopolymer blocks (J domains) with the porphyrin dye molecule (P domain) in the middle. The JPJ assembly was subjected to photophysical studies where we showed that the J domain could serve as a light-harvesting antenna for the P domain.     

Weyl-Heisenberg frames for subspaces of

A Weyl-Heisenberg frame

for allows every function to be written as an infinite linear combination of translated and modulated versions of the fixed function . In the present paper we find sufficient conditions for to be a frame for , which, in general, might just be a subspace of . Even our condition for to be a frame for is significantly weaker than the previous known conditions. The results also shed new light on the classical results concerning frames for , showing for instance that the condition A>0$">is not necessary for to be a frame for . Our work is inspired by a recent paper by Benedetto and Li, where the relationship between the zero-set of the function and frame properties of the set of functions is analyzed.

     

Finite-dimensional approximation of the inverse frame operator

A frame in a Hilbert space allows every element in to be written as a linear combination of the frame elements, with coefficients called frame coefficients. Calculations of those coefficients and many other situations where frames occur, requires knowledge of the inverse frame operator. But usually it is hard to invert the frame operator if the underlying Hilbert space is infinite dimensional. In the present paper we introduce a method for approximation of the inverse frame operator using finite subsets of the frame. In particular this allows to approximate the frame coefficients (even inl ²) using finite-dimensional linear algebra. We show that the general method simplifies in the important cases of Weil-Heisenberg frames and wavelet frames.     

Effects of inorganic and organic lead compounds on chromosomal length in human lymphocytes

In vitro exposure of human lymphocyte cultures to spindle inhibitors reduce the average chromosome length^1,2. In this report chromosome length measurements were used for indirect but quantitative evaluation of the effects of inorganic and organic lead compounds on spindle function. The data indicate that organic compounds are much more powerful spindle inhibitors than inorganic lead compounds, almost as potent as colchicine. Occupational exposure to organic lead compounds may result in partial spindle inhibition, leading to a high probability of nondisjunction.     

The measurement of the absorption spectra of chlorine e 6 photosensitizer and hemoglobin in whole blood by multiple light scattering

The potential of using multiple light scattering methods to monitor the state and concentration of photosensitizer and hemoglobin in whole blood is demonstrated. Samples of whole blood with various contents of chlorine e ₆ photosensitizer were studied in the spectral region of 620–850 nm. On the basis of experimentally measured coefficients of diffuse reflection and transmission, absorption spectra of blood with and without the photosensitizer and the concentrations of oxy-, deoxy-, and methemoglobin in the samples are calculated. On the basis of this information, the absorption spectrum of chlorine e ₆ in whole blood is reconstructed and its state and concentration are estimated for the first time. It is found that chlorine e ₆ in whole blood occurs mainly in the monomer form.     

Topology optimization of microfluidic mixers

This paper demonstrates the application of the topology optimization method as a general and systematic approach for microfluidic mixer design. The mixing process is modeled as convection dominated transport in low Reynolds number incompressible flow. The mixer performance is maximized by altering the layout of flow/non‐flow regions subject to a constraint on the pressure drop between inlet and outlet. For a square cross‐sectioned pipe the mixing is increased by 70% compared with a straight pipe at the cost of a 2.5 fold increase in pressure drop. Another example where only the bottom profile of the channel is a design domain results in intricate herring bone patterns that confirm findings from the literature. Copyright © 2008 John Wiley & Sons, Ltd.     

Gold(III) six-membered N^C^N pincer complexes: synthesis, structure, reactivity and theoretical calculations

The first six-membered gold(III) N^C^N pincer complex was obtained in good yield, under very mild conditions, by transmetalation of [Hg(κC-N^C^N)Cl] (N^CH^N = 1,3-bis(pyridin-2-ylmethyl)benzene, HL(1)) with Na[AuCl(4)]. The X-ray crystal structure of [Au(N^C^N)Cl][PF(6)] showed that the fused six-membered metallacycles each exist in a strongly puckered boat conformation. As shown by the (1)H NMR spectra in various solvents, the same structure is also retained in solution: no inversion of the six-membered metallacycles is observed in DMSO up to 95 °C. This correlates well with a reaction barrier of 17.5 kcal/mole, as determined by quantum chemical calculations. The reactivity of the present pincer complex is compared to that of the analogous 1,3-bis(2-pyridyl)benzene, HL(2), derivative, which has five-membered fused metallacycles. Sharp differences are found in the reactions with phosphines, such as PPh(3) and dppe (1,2-bis-diphenylphosphino-ethane), and with silver salts. Theoretical calculations were carried out on the two pincer complexes in order to try to understand these differences, and we found that the gold-chlorine bond is significantly stronger in the case of the complex containing five-membered metallacyclic rings.