43,428 research outputs found

    Heisenberg and Modular Invariance of N=2 Conformal Field Theory

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    We present a theta function representation of the twisted characters for the rational N=2 superconformal field theory, and discuss the Jacobi-form like functional properties of these characters for a fixed central charge under the action of a finite Heisenberg group and modular transformations.Comment: 21 pages, Latex, 1 figure; minor typos corrected--Journal versio

    New Method for Numerically Solving the Chemical Potential Dependence of the Dressed Quark Propagator

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    Based on the rainbow approximation of Dyson-Schwinger equation and the assumption that the inverse dressed quark propagator at finite chemical potential is analytic in the neighborhood of μ=0\mu=0, a new method for obtaining the dressed quark propagator at finite chemical potential μ\mu from the one at zero chemical potential is developed. Using this method the dressed quark propagator at finite chemical potential can be obtained directly from the one at zero chemical potential without the necessity of numerically solving the corresponding coupled integral equations by iteration methods. A comparison with previous results is given.Comment: Revtex, 14 pages, 5 figure

    Pocket2Drug: An Encoder-Decoder Deep Neural Network For The Target-Based Drug Design

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    Computational modeling is an essential component of modern drug discovery. One of its most important applications is to select promising drug candidates for pharmacologically relevant target proteins. Because of continuing advances in structural biology, putative binding sites for small organic molecules are being discovered in numerous proteins linked to various diseases. These valuable data offer new opportunities to build efficient computational models predicting binding molecules for target sites through the application of data mining and machine learning. In particular, deep neural networks are powerful techniques capable of learning from complex data in order to make informed drug binding predictions. In this communication, we describe Pocket2Drug, a deep graph neural network model to predict binding molecules for a given a ligand binding site. This approach first learns the conditional probability distribution of small molecules from a large dataset of pocket structures with supervised training, followed by the sampling of drug candidates from the trained model. Comprehensive benchmarking simulations show that using Pocket2Drug significantly improves the chances of finding molecules binding to target pockets compared to traditional drug selection procedures. Specifically, known binders are generated for as many as 80.5% of targets present in the testing set consisting of dissimilar data from that used to train the deep graph neural network model. Overall, Pocket2Drug is a promising computational approach to inform the discovery of novel biopharmaceuticals

    The non-centrosymmetric lamellar phase in blends of ABC triblock and ac diblock copolymers

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    The phase behaviour of blends of ABC triblock and ac diblock copolymers is examined using self-consistent field theory. Several equilibrium lamellar structures are observed, depending on the volume fraction of the diblocks, phi_2, the monomer interactions, and the degrees of polymerization of the copolymers. For segregations just above the order-disorder transition the triblocks and diblocks mix together to form centrosymmetric lamellae. As the segregation is increased the triblocks and diblocks spatially separate either by macrophase-separating, or by forming a non-centrosymmetric (NCS) phase of alternating layers of triblock and diblock (...ABCcaABCca...). The NCS phase is stable over a narrow region near phi_2=0.4. This region is widest near the critical point on the phase coexistence curve and narrows to terminate at a triple point at higher segregation. Above the triple point there is two-phase coexistence between almost pure triblock and diblock phases. The theoretical phase diagram is consistent with experiments.Comment: 9 pages, 8 figures, submitted to Macromolecule

    The shape of disorder broadened Landau subbands in graphene

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    Density of states (DOS) of graphene under a high uniform magnetic field and white-noise random potential is numerically calculated. The disorder broadened zero-energy Landau band has a Gaussian shape whose width is proportional to the random potential variance and the square root of magnetic field. Wegner-type calculation is used to justify the results

    Energy transfer, pressure tensor and heating of kinetic plasma

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    Kinetic plasma turbulence cascade spans multiple scales ranging from macroscopic fluid flow to sub-electron scales. Mechanisms that dissipate large scale energy, terminate the inertial range cascade and convert kinetic energy into heat are hotly debated. Here we revisit these puzzles using fully kinetic simulation. By performing scale-dependent spatial filtering on the Vlasov equation, we extract information at prescribed scales and introduce several energy transfer functions. This approach allows highly inhomogeneous energy cascade to be quantified as it proceeds down to kinetic scales. The pressure work, −(P⋅∇)⋅u-\left( \boldsymbol{P} \cdot \nabla \right) \cdot \boldsymbol{u}, can trigger a channel of the energy conversion between fluid flow and random motions, which is a collision-free generalization of the viscous dissipation in collisional fluid. Both the energy transfer and the pressure work are strongly correlated with velocity gradients.Comment: 28 pages, 10 figure

    Pentaquark Magnetic Moments In Different Models

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    We calculate the magnetic moments of the pentaquark states from different models and compare our results with predictions of other groups.Comment: 17 pages, no figur

    Microbubble Cavitation Imaging

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    Ultrasound cavitation of microbubble contrast agents has a potential for therapeutic applications such as sonothrombolysis (STL) in acute ischemic stroke. For safety, efficacy, and reproducibility of treatment, it is critical to evaluate the cavitation state (moderate oscillations, stable cavitation, and inertial cavitation) and activity level in and around a treatment area. Acoustic passive cavitation detectors (PCDs) have been used to this end but do not provide spatial information. This paper presents a prototype of a 2-D cavitation imager capable of producing images of the dominant cavitation state and activity level in a region of interest. Similar to PCDs, the cavitation imaging described here is based on the spectral analysis of the acoustic signal radiated by the cavitating microbubbles: ultraharmonics of the excitation frequency indicate stable cavitation, whereas elevated noise bands indicate inertial cavitation; the absence of both indicates moderate oscillations. The prototype system is a modified commercially available ultrasound scanner with a sector imaging probe. The lateral resolution of the system is 1.5 mm at a focal depth of 3 cm, and the axial resolution is 3 cm for a therapy pulse length of 20 mu s. The maximum frame rate of the prototype is 2 Hz. The system has been used for assessing and mapping the relative importance of the different cavitation states of a microbubble contrast agent. In vitro (tissue-mimicking flow phantom) and in vivo (heart, liver, and brain of two swine) results for cavitation states and their changes as a function of acoustic amplitude are presented
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