Cloud dispersion models

A new technique has been developed to compute mean and fluctuating concentrations in complex turbulent flows. An initial distribution of material is discretised into any small clouds which are advected by a combination of the mean flow and large scale turbulence. The turbulence can be simulated either by Kinematic Simulation or by a stochastic model for the motion of each cloud centroid. The clouds also diffuse relative to their centroids; the statistics for this are obtained from a separate calculation of the growth of individual clouds in small scale turbulence, generated by Kinematic Simulation. The ensemble of discrete clouds is periodically rediscretised, to limit the size of the small clouds and prevent overlapping. The model is illustrated with simulations of dispersion in uniform flow and in a coastal flow, and the results are compared with analytic, steady state solutions where available.     

Design, synthesis and biological characterization of novel inhibitors of CD38

Human CD38 is a novel multi-functional protein that acts not only as an antigen for B-lymphocyte activation, but also as an enzyme catalyzing the synthesis of a Ca(2+) messenger molecule, cyclic ADP-ribose, from NAD(+). It is well established that this novel Ca(2+) signaling enzyme is responsible for regulating a wide range of physiological functions. Based on the crystal structure of the CD38/NAD(+) complex, we synthesized a series of simplified N-substituted nicotinamide derivatives (Compound 1-14). A number of these compounds exhibited moderate inhibition of the NAD(+) utilizing activity of CD38, with Compound 4 showing the highest potency. The crystal structure of CD38/Compound 4 complex and computer simulation of Compound 7 docking to CD38 show a significant role of the nicotinamide moiety and the distal aromatic group of the compounds for substrate recognition by the active site of CD38. Biologically, we showed that both Compounds 4 and 7 effectively relaxed the agonist-induced contraction of muscle preparations from rats and guinea pigs. This study is a rational design of inhibitors for CD38 that exhibit important physiological effects, and can serve as a model for future drug development.     

The importance of the N-H bond in Ru/TsDPEN complexes for asymmetric transfer hydrogenation of ketones and imines

Ru(II) complexes of TsDPEN containing two alkyl groups on the non-tosylated nitrogen atom are poor catalysts for asymmetric transfer hydrogenation of ketones and imines; this observation provides direct evidence for the importance of the N-H interaction in the transition state for ketone reduction.     

A study of the reaction K−p→Λπ+π− at c.m. energies in the range 1.65 to 1.72 GeV

Results are presented of a study of the reaction K^?p→Λπ⁺π^? in the c.m. energy region of 1.65 to 1.72 GeV. Dalitz plots indicate that the reaction proceeds primarily through the intermediate states Σ^?(1385)π⁺ and Σ^?(1385)π⁺, but the resonance bands intersect inside the kinematic ellipse and a simple quasi-two-body interpretation is not possible. Legendre coefficients are presented for the angular distributions of the Λπ⁺ and Λπ^? sub-systems in the overall c.m. frame. Analogous coefficients as suggested by Deler and Valladas, which describe the angular distribution of the final three-body state are also presented.     

Microscopic theory of quantum fluid at nonzero temperature. The momentum distribution,liquid-structure factor and ground-state energy of liquid4He

Summary Employing theU-matrix theory in the present form we have presented a microscopic theory of an interactingN-boson system at nonzero temperature. The Hamiltonian includes a term describing the external influence, a term for a two-particle interaction and one pertaining to the dipole-type interaction. To study the ground state of liquid⁴He, only the two-particle interaction is included. Based on scattering data, we have deduced the two-particle potential function. With that we calculate numerically the momentum atT=1.1 K for several sets of parameters. It is shown that the theoretical curves agree well with the observed results. The corresponding liquid-structure-factor curves fit the measured data very well and the best result for the ground-state energy is −7.12K.

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Riassunto Impiegando la teoria della matriceU nella forma presente, abbiamo presentato una teoria microscopica di un sistema interagente diN bosoni a temperatura non nulla. L'hamiltoniana include un termine che descrive l'influenza esterna, un termine per un'interazione a 2 particelle e une che riguarda l'interazione di tipo dipolare. Per studiare lo stato fondamentale dell'⁴He liquido s'include solo l'interazione a 2 particelle. Basandoci su dati di scattering, abbiamo dedotto la funzione potenziale a 2 particelle. Con quella, calcoliamo numericamente la distribuzione dell'impulso aT=1.1K per diversi gruppi di parametri. Si mostra che le curve teoriche sono in buon accordo con i risultati osservati. Le corrispondenti curve del fattore di struttura del liquido si adattano benissimo ai dati misurati e il risultato migliore per l'energia dello stato fondamentale è − 7.12K.

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Резюме Используь теориюU-матрицы, мы предлагаем микроскопическую теорию взаимодеюствующейN-бозонной системы при ненулевых температурах. Гамильтониан включает член, описывающий внешнее влияние, член двух-частичного взаимодействия и член, относящийся к дипольному типу взаимодействия. При исследовании основного состояния шидкого⁴He учитяватся только двух-частичное взаимодействие. Основываясь на данных по рассеянию, мы выводим двух-частичную потенциальную функцию. Мы численно определяем распределение по импульсам приT=1.1K для некоторых систем параметров. Показывается, что теоретические кривые согласуются с наблюденными результатами. Соответст вующий структурный фактор зидкости хорошо согласуется с экспериментальными данными. Полученная величина энергии основного состояния составляет −7.12 K.

     

Emission from a Rayleigh layer with irregular boundaries

A theory of microwave emission from an irregular layer of Rayleigh scatterers is developed by combining an existing matrix doubling method for volume scattering with the Kirchhoff method in surface scattering. Effects of the layer boundaries are illustrated by comparing layers with plane boundaries vs layers with rough top or bottom boundaries and irregular layers. It is found that the major effect of an irregular top layer boundary is to slow down the variation of the layer emission as a function of the nadir angle and the major effect of an irregular bottom boundary is to increase the level of the layer emission. Comparisons of the developed layer model with snow emission indicate the potential use of such models in data interpretation.     

Diffraction dissociation in the reaction p+p→Λ°+K++p at the CERN ISR

The exclusive reaction pp→Λ°K⁺p has been studied at 0.1<?t_pp<0.6 GeV² and energies √s=45 GeV and 53 GeV at the CERN ISR. Diffractive excitation p→Λ°K⁺ occurs predominantly in the mass range M(Λ°K⁺)≈2.1 GeV and peaks at 1.7 GeV. The cross section for pp→Λ°K⁺p is 10±3μb for M(Λ°K⁺)<2.5 GeV, and the t_pp dependence is exp (bt) with b=7.0±0.5 GeV^?2.     

Protein micropatterning using surfaces modified by self-assembled polystyrene microspheres

A technique for micropatterning of proteins on a nonplanar surface to improve the coverage and functionality of biomolecules is demonstrated. A nonplanar microstructure is created by the self-assembly of polystyrene microspheres into an array of microwells on a silicon wafer to allow the integration of a nonplanar spot on a planar chip. After the microspheres were deposited into the microwells, they were conjugated with proteins. The curve surfaces of the microspheres present more surface area for attaching biomolecules which will increase the density of biomolecules and, hence, the sensitivity for detection. Moreover, proteins immobilized on a curved surface can retain their native structures and function better than on a planar surface because of a smaller area of interaction between the protein and the substrate. Patterning of biomolecules was tested with two model fluorescent proteins. The results show that precise patterning of biomolecules on a nonplanar spot can be achieved with this technique.     

Theory of cross polarized power returned from a random surface

Summary Cross polarized power resulting from depolarization of electromagnetic waves by a statistically rough surface is calculated. This is done for a circularly polarized incident wave and a homogeneous dielectric surface with either a Gaussian or an exponential correlation function. The polarized return power is also obtained so that comparison between the two could be made.