Photo-​induced proton coupled electron transfer from a benzophenone 'antenna' to an isoindoline nitroxide

The current study reports the synthesis and properties of a novel isoindoline nitroxide contg. a benzophenone chromophore fused into the carbon framework. When exposed to UV light, rather than undergoing traditional benzophenone photochem. pathways, the presence of the nitroxide enables an energy transfer process whereby the nitroxide enters an excited state which induces an efficient hydrogen atom transfer from unactivated alkanes.

Transient state work fluctuation theorem for a classical harmonic oscillator linearly coupled to a harmonic bath

Based on a Hamiltonian description we present a rigorous derivation of the transient state work fluctuation theorem and the Jarzynski equality for a classical harmonic oscillator linearly coupled to a harmonic heat bath, which is dragged by an external agent. Coupling with the bath makes the dynamics dissipative. Since we do not assume anything about the spectral nature of the harmonic bath the derivation is not restricted only to the Ohmic bath, rather it is more general, for a non-Ohmic bath. We also derive expressions of the average work done and the variance of the work done in terms of the two-time correlation function of the fluctuations of the position of the harmonic oscillator. In the case of an Ohmic bath, we use these relations to evaluate the average work done and the variance of the work done analytically and verify the transient state work fluctuation theorem quantitatively. Actually these relations have far-reaching consequences. They can be used to numerically evaluate the average work done and the variance of the work done in the case of a non-Ohmic bath when analytical evaluation is not possible.

Hydrodynamics from the D1-brane

We study the hydrodynamic properties of strongly coupled SU(N) Yang-Mills theory of the D1-brane at finite temperature in the framework of gauge/gravity duality. The only non-trivial viscous transport coefficient in 1+1 dimensions is the bulk viscosity. We evaluate the bulk viscosity by isolating the quasi-normal mode corresponding to the sound channel for the gravitational background of the D1-brane. We find that the ratio of the bulk viscosity to the entropy density to be 1/4 pi. This ratio continues to be 1/4 pi also in the regime when the D1-brane Yang-Mills theory is dual to the gravitational background of the fundamental string. Our analysis shows that this ratio is equal to 1/4 pi for a class of gravitational backgrounds dual to field theories in 1+1 dimensions obtained by considering D1-branes at cones over Sasaki-Einstein 7-manifolds.

Climate response to physiological forcing of carbon dioxide simulated by the coupled Community Atmosphere Model (CAM3.1) and Community Land Model (CLM3.0)

Increasing concentrations of atmospheric CO2 decrease stomatal conductance of plants and thus suppress canopy transpiration. The climate response to this CO2-physiological forcing is investigated using the Community Atmosphere Model version 3.1 coupled to Community Land Model version 3.0. In response to the physiological effect of doubling CO2, simulations show a decrease in canopy transpiration of 8%, a mean warming of 0.1K over the land surface, and negligible changes in the hydrological cycle. These climate responses are much smaller than what were found in previous modeling studies. This is largely a result of unrealistic partitioning of evapotranspiration in our model control simulation with a greatly underestimated contribution from canopy transpiration and overestimated contributions from canopy and soil evaporation. This study highlights the importance of a realistic simulation of the hydrological cycle, especially the individual components of evapotranspiration, in reducing the uncertainty in our estimation of climatic response to CO2-physiological forcing. Citation: Cao, L., G. Bala, K. Caldeira, R. Nemani, and G.Ban-Weiss (2009), Climate response to physiological forcing of carbon dioxide simulated by the coupled Community Atmosphere Model (CAM3.1) and Community Land Model (CLM3.0).

Temporal expression of G-protein-coupled receptor 54 (GPR54), gonadotropin-releasing hormones (GnRH), and dopamine receptor D2 (drd2) in pubertal female grey mullet, Mugil cephalus.

The G-protein-coupled receptor 54 (muGPR54) cDNA was cloned from the brain of the grey mullet, and its expression level, as well as those of the gonadotropin-releasing hormones (GnRH1, GnRH2, GnRH3) and dopamine receptor D2 (drd2), in the brain, pituitary and ovary of pubertal fish (early, intermediate, advanced) were determined by real-time quantitative RT-PCR (QPCR). The muGPR54 cDNA has an open reading frame of 1140 bp with a predicted 380 amino acid peptide, containing seven putative transmembrane domains and putative N-glycosylation and protein kinase C phosphorylation sites. QPCR results showed that the early stage of puberty in grey mullet is characterized by significantly high levels of expression of GPR54, GnRH and drd2 in the brain relative to the intermediate and advanced stages, except for GnRH1 that increased at the advanced stage of puberty. In the pituitary, drd2 expression declined significantly at the advanced stage relative to levels at the intermediate stage. Ovarian expression of GPR54 significantly increased from the intermediate stage of puberty relative to the early stage while that of GnRH1 acutely increased at the advanced stage of puberty. The ovarian expression of drd2 decreased as puberty progressed, but the changes were not significant. The results suggest the possible role of GPR54 and GnRH in positively regulating pubertal development in grey mullet and the dopaminergic inhibition of reproductive function mediated by drd2.

Representations and properties of para-Bose oscillator operators. I. Energy position and momentum eigenstates

Para-Bose commutation relations are related to the SL(2,R) Lie algebra. The irreducible representation [script D]alpha of the para-Bose system is obtained as the direct sum Dbeta[direct-sum]Dbeta+1/2 of the representations of the SL(2,R) Lie algebra. The position and momentum eigenstates are then obtained in this representation [script D]alpha, using the matrix mechanical method. The orthogonality, completeness, and the overlap of these eigenstates are derived. The momentum eigenstates are also derived using the wave mechanical method by specifying the domain of the definition of the momentum operator in addition to giving it a formal differential expression. By a careful consideration in this manner we find that the two apparently different solutions obtained by Ohnuki and Kamefuchi in this context are actually unitarily equivalent. Journal of Mathematical Physics is copyrighted by The American Institute of Physics.

Strong-coupling expansion for the momentum distribution of the Bose-Hubbard model with benchmarking against exact numerical results

A strong-coupling expansion for the Green's functions, self-energies, and correlation functions of the Bose-Hubbard model is developed. We illustrate the general formalism, which includes all possible (normal-phase) inhomogeneous effects in the formalism, such as disorder or a trap potential, as well as effects of thermal excitations. The expansion is then employed to calculate the momentum distribution of the bosons in the Mott phase for an infinite homogeneous periodic system at zero temperature through third order in the hopping. By using scaling theory for the critical behavior at zero momentum and at the critical value of the hopping for the Mott insulator–to–superfluid transition along with a generalization of the random-phase-approximation-like form for the momentum distribution, we are able to extrapolate the series to infinite order and produce very accurate quantitative results for the momentum distribution in a simple functional form for one, two, and three dimensions. The accuracy is better in higher dimensions and is on the order of a few percent relative error everywhere except close to the critical value of the hopping divided by the on-site repulsion. In addition, we find simple phenomenological expressions for the Mott-phase lobes in two and three dimensions which are much more accurate than the truncated strong-coupling expansions and any other analytic approximation we are aware of. The strong-coupling expansions and scaling-theory results are benchmarked against numerically exact quantum Monte Carlo simulations in two and three dimensions and against density-matrix renormalization-group calculations in one dimension. These analytic expressions will be useful for quick comparison of experimental results to theory and in many cases can bypass the need for expensive numerical simulations.

Multiple-quantum artifacts in single-quantum two-dimensional correlated NMR spectra of strongly coupled spins

Artifacts in the form of cross peaks have been observed along two- and three-quantum diagonals in single-quantum two-dimensional correlated (COSY) spectra of several peptides and oligonucleotides. These have been identified as due to the presence of a non-equilibrium state of kind I (a state describable by populations which differ from equilibrium) of strongly coupled spins carried over from one experiment to the next in the COSY algorithm.

Indian Ocean sea surface salinity variations in a coupled model

The variability of the sea surface salinity (SSS) in the Indian Ocean is studied using a 100-year control simulation of the Community Climate System Model (CCSM 2.0). The monsoon-driven seasonal SSS pattern in the Indian Ocean, marked by low salinity in the east and high salinity in the west, is captured by the model. The model overestimates runoff int the Bay of Bengal due to higher rainfall over the Himalayan-Tibetan regions which drain into the Bay of Bengal through Ganga-Brahmaputra rivers. The outflow of low-salinity water from the Bay of Bengal is to strong in the model. Consequently, the model Indian Ocean SSS is about 1 less than that seen in the climatology. The seasonal Indian Ocean salt balance obtained from the model is consistent with the analysis from climatological data sets. During summer, the large freshwater input into the Bay of Bengal and its redistribution decide the spatial pattern of salinity tendency. During winter, horizontal advection is the dominant contributor to the tendency term. The interannual variability of the SSS in the Indian Ocean is about five times larger than that in coupled model simulations of the North Atlantic Ocean. Regions of large interannual standard deviations are located near river mouths in the Bay of Bengal and in the eastern equatorial Indian Ocean. Both freshwater input into the ocean and advection of this anomalous flux are responsible for the generation of these anomalies. The model simulates 20 significant Indian Ocean Dipole (IOD) events and during IOD years large salinity anomalies appear in the equatorial Indian Ocean. The anomalies exist as two zonal bands: negative salinity anomalies to the north of the equator and positive to the south. The SSS anomalies for the years in which IOD is not present and for ENSO years are much weaker than during IOD years. Significant interannual SSS anomalies appear in the Indian Ocean only during IOD years.

Exact solutions of coupled multispecies linear reaction–diffusion equations on a uniformly growing domain

Embryonic development involves diffusion and proliferation of cells, as well as diffusion and reaction of molecules, within growing tissues. Mathematical models of these processes often involve reaction–diffusion equations on growing domains that have been primarily studied using approximate numerical solutions. Recently, we have shown how to obtain an exact solution to a single, uncoupled, linear reaction–diffusion equation on a growing domain, 0 < x < L(t), where L(t) is the domain length. The present work is an extension of our previous study, and we illustrate how to solve a system of coupled reaction–diffusion equations on a growing domain. This system of equations can be used to study the spatial and temporal distributions of different generations of cells within a population that diffuses and proliferates within a growing tissue. The exact solution is obtained by applying an uncoupling transformation, and the uncoupled equations are solved separately before applying the inverse uncoupling transformation to give the coupled solution. We present several example calculations to illustrate different types of behaviour. The first example calculation corresponds to a situation where the initially–confined population diffuses sufficiently slowly that it is unable to reach the moving boundary at x = L(t). In contrast, the second example calculation corresponds to a situation where the initially–confined population is able to overcome the domain growth and reach the moving boundary at x = L(t). In its basic format, the uncoupling transformation at first appears to be restricted to deal only with the case where each generation of cells has a distinct proliferation rate. However, we also demonstrate how the uncoupling transformation can be used when each generation has the same proliferation rate by evaluating the exact solutions as an appropriate limit.

Direct estimation of an element of order matrix from H-1 NMR spectra of strongly dipolar coupled spins

NMR spectra of molecules oriented in thermotropic liquid crystalline media provide information on the molecular structure and order. The spins are generally strongly dipolar coupled and the spectral analyse require the tedious and time consuming numerical iterative calculations. The present study demonstrates the application of multiple quantum spin state selective detection of single quantum transitions for mimicking the homonuclear decoupling and the direct estimation of an element of ordering matrix. This information is utilized to estimate the nearly accurate starting dipolar couplings for iterative calculations. The studies on the spectra of strongly dipolar coupled five and six interacting spin systems are reported.

A coupled SPH-DEM approach to model the interactions between multiple red blood cells in motion in capillaries

Red blood cells (RBCs) are the most common type of blood cells in the blood and 99% of the blood cells are RBCs. During the circulation of blood in the cardiovascular network, RBCs squeeze through the tiny blood vessels (capillaries). They exhibit various types of motions and deformed shapes, when flowing through these capillaries with diameters varying between 5 10 µm. RBCs occupy about 45 % of the whole blood volume and the interaction between the RBCs directly influences on the motion and the deformation of the RBCs. However, most of the previous numerical studies have explored the motion and deformation of a single RBC when the interaction between RBCs has been neglected. In this study, motion and deformation of two 2D (two-dimensional) RBCs in capillaries are comprehensively explored using a coupled smoothed particle hydrodynamics (SPH) and discrete element method (DEM) model. In order to clearly model the interactions between RBCs, only two RBCs are considered in this study even though blood with RBCs is continuously flowing through the blood vessels. A spring network based on the DEM is employed to model the viscoelastic membrane of the RBC while the inside and outside fluid of RBC is modelled by SPH. The effect of the initial distance between two RBCs, membrane bending stiffness (Kb) of one RBC and undeformed diameter of one RBC on the motion and deformation of both RBCs in a uniform capillary is studied. Finally, the deformation behavior of two RBCs in a stenosed capillary is also examined. Simulation results reveal that the interaction between RBCs has significant influence on their motion and deformation.

Numerical modelling of deformation behaviour of red blood cells in microvessels using the coupled SPH-DEM method

This thesis developed an advanced computational model to investigate the motion and deformation properties of red blood cells in capillaries. The novel model is based on the meshfree particle methods and is capable of modelling the large deformation of red blood cells moving through blood vessels. The developed model was employed to simulate the deformation behaviour of healthy and malaria infected red blood cells as well as the motion of red blood cells in stenosed capillaries.

Albert Einstein; Princeton, New Jersey Portraits; Men

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Albert Einstein; Princeton, New Jersey Portraits; Men

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