An Analysis of the Induced Linear Operators Associated to Divide and Color Models

Journal of Theoretical Probability - We study the natural linear operators associated to divide and color (DC) models. The degree of nonuniqueness of the random partition yielding a DC model is...     

Joint quasimodes,positive entropy,and quantum unique ergodicity

We study joint quasimodes of the Laplacian and one Hecke operator on compact congruence surfaces, and give conditions on the orders of the quasimodes that guarantee positive entropy on almost every ergodic component of the corresponding semiclassical measures. Together with the measure classification result of (Lindenstrauss, Ann Math (2) 163(1):165–219, 2006), this implies Quantum Unique Ergodicity for such functions. Our result is optimal with respect to the dimension of the space from which the quasi-mode is constructed. We also study equidistribution for sequences of joint quasimodes of the two partial Laplacians on compact irreducible quotients of \({\mathbb {H}}\times {\mathbb {H}}\) .     

Dynamic nuclear polarization assisted spin diffusion for the solid effect case

The dynamic nuclear polarization (DNP) process in solids depends on the magnitudes of hyperfine interactions between unpaired electrons and their neighboring (core) nuclei, and on the dipole-dipole interactions between all nuclei in the sample. The polarization enhancement of the bulk nuclei has been typically described in terms of a hyperfine-assisted polarization of a core nucleus by microwave irradiation followed by a dipolar-assisted spin diffusion process in the core-bulk nuclear system. This work presents a theoretical approach for the study of this combined process using a density matrix formalism. In particular, solid effect DNP on a single electron coupled to a nuclear spin system is considered, taking into account the interactions between the spins as well as the main relaxation mechanisms introduced via the electron, nuclear, and cross-relaxation rates. The basic principles of the DNP-assisted spin diffusion mechanism, polarizing the bulk nuclei, are presented, and it is shown that the polarization of the core nuclei and the spin diffusion process should not be treated separately. To emphasize this observation the coherent mechanism driving the pure spin diffusion process is also discussed. In order to demonstrate the effects of the interactions and relaxation mechanisms on the enhancement of the nuclear polarization, model systems of up to ten spins are considered and polarization buildup curves are simulated. A linear chain of spins consisting of a single electron coupled to a core nucleus, which in turn is dipolar coupled to a chain of bulk nuclei, is considered. The interaction and relaxation parameters of this model system were chosen in a way to enable a critical analysis of the polarization enhancement of all nuclei, and are not far from the values of (13)C nuclei in frozen (glassy) organic solutions containing radicals, typically used in DNP at high fields. Results from the simulations are shown, demonstrating the complex dependences of the DNP-assisted spin diffusion process on variations of the relevant parameters. In particular, the effect of the spin lattice relaxation times on the polarization buildup times and the resulting end polarization are discussed, and the quenching of the polarizations by the hyperfine interaction is demonstrated.     

Changes in Intestinal Permeability Ex Vivo and Immune Cell Activation by Three Commonly Used Emulsifiers

Food additives such as emulsifiers are used in increasing quantities in the food industry. The aim of this study was to compare three different emulsifiers (polysorbate 80 (P80), carboxymethyl cellulose (CMC), and β-lactoglobulin (β-lac) with regards to their effect on the stimulation of immune cells and intestinal permeability. The immune stimulatory effects were studied in the myeloid cell line MUTZ-3-cells, while the change in intestinal permeability was studied in the Caco-2 cell line and ex vivo in the Ussing chamber system using small intestinal fragments from rats. The tested concentrations of the emulsifiers ranged from 0.02% up to 1%, which are concentrations commonly used in the food industry. The results showed that P80 affected both the myeloid cells and the intestinal permeability more than CMC (p < 0.05) and β-lac (p < 0.05) at the highest concentration. CMC was found to neither affect the permeability in the intestine nor the MUTZ-3 cells, while β-lac changed the permeability in the total part of the small intestine in rats. These findings indicate that P80 might be more cytotoxic compared to the other two emulsifiers.     

System with Potential Dual Modes of Metal–Ligand Cooperation: Highly Catalytically Active Pyridine‐Based PNNH–Ru Pincer Complexes

Metal–ligand cooperation (MLC) plays an important role in catalysis. Systems reported so far are generally based on a single mode of MLC. We report here a system with potential for MLC by both amine–amide and aromatization–dearomatization ligand transformations, based on a new class of phosphino–pyridyl ruthenium pincer complexes, bearing sec‐amine coordination. These pincer complexes are effective catalysts under unprecedented mild conditions for acceptorless dehydrogenative coupling of alcohols to esters at 35 °C and hydrogenation of esters at room temperature and 5 atm H₂. The likely actual catalyst, a novel, crystallographically characterized monoanionic de‐aromatized enamido–Ru^II complex, was obtained by deprotonation of both the N?H and the methylene proton of the N‐arm of the pincer ligand.     

Interactions of glucose and polyacrylamide in solutions and gels

The swelling of polyacrylamide (PAAm) gels increased with rising glucose concentrations, and so did the osmotic pressure of the soluble polymer and its intrinsic viscosity. A Flory–Huggins‐based model for the osmotic pressure of a nonionic hydrophilic polymer in a ternary solution consisting of a main solvent, a polymer, and a nondissociating low‐molecular‐weight cosolute was developed and examined. The model‐calculated values were in reasonably good agreement with experimental results for the water–PAAm–glucose system studied when PAAm–water and glucose–water interaction coefficients from the binary systems were used, and only the PAAm–glucose interaction coefficient was adjusted. Its negative value suggested a favorable interaction of glucose and PAAm, supporting the notion of glucose being a good cosolvent for PAAm. Isothermal titration microcalorimetry results showed no evidence for the binding of glucose to PAAm, but an exothermic interaction was indicated between glucose and PAAm. Microcalorimetrically determined enthalpic contributions to the Flory–Huggins interaction coefficients showed enthalpically favorable binary interactions, particularly the enthalpic component of the PAAm–glucose interaction coefficient (χ_H23), which was slightly negative. The enthalpically favorable interaction between glucose and PAAm may explain the increased osmotic pressure of PAAm in glucose solutions. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 3053–3063, 2003     

Trifluoromethanesulfonic acid as a catalyst for the formation of dansylhydrazone derivatives

Trifluoromethanesulfonic acid (TFMSA) is presented as a new, efficient catalyst in the pre-column fluorescent derivatization of the 3-ketosteroid budesonide with dansylhydrazine and compared to the commonly used catalyst trifluoroacetic acid. With TFMSA the derivatization reaction may be carried out at room temperature, with a considerably higher reaction rate compared to previously used acids. The chromatograms also show that TMFSA results in less formation of spurious peaks from the reagent. Derivatization of steroid solutions ranging from 0.5 to 64 μM could be performed using identical reaction conditions.     

Implementation of artificial intelligence for automatic drug design. I. Stepwise computation of the interactive drug-design sequence

In this article we represent the development of an artificial-intelligence-based method for the automatic design of valid chemical structures (AISD). The key feature of the proposed algorithm is its ability to mimic many decision-making processes carried by the human drug designer during a design session. The manual drug-design process is analyzed and transformed into a computerized form by associating a weight factor with each term. These weights enable the translation of the drug designer's intution into probabilities that control the flow of the design process. The input required to initiate a design session might be as minimal as the geometry of a previously existed pharmacophoric model, up to the three-dimensional geometry of the host receptor. A design application is demonstrated by the implementation of the proposed algorithm for the design of new potent sweeteners. © 1994 by John Wiley & Sons, Inc.