689 research outputs found

    Multipolar representation of protein structure

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    BACKGROUND: That the structure determines the function of proteins is a central paradigm in biology. However, protein functions are more directly related to cooperative effects at the residue and multi-residue scales. As such, current representations based on atomic coordinates can be considered inadequate. Bridging the gap between atomic-level structure and overall protein-level functionality requires parameterizations of the protein structure (and other physicochemical properties) in a quasi-continuous range, from a simple collection of unrelated amino acids coordinates to the highly synergistic organization of the whole protein entity, from a microscopic view in which each atom is completely resolved to a "macroscopic" description such as the one encoded in the three-dimensional protein shape. RESULTS: Here we propose such a parameterization and study its relationship to the standard Euclidian description based on amino acid representative coordinates. The representation uses multipoles associated with residue Cα coordinates as shape descriptors. We demonstrate that the multipoles can be used for the quantitative description of the protein shape and for the comparison of protein structures at various levels of detail. Specifically, we construct a (dis)similarity measure in multipolar configuration space, and show how such a function can be used for the comparison of a pair of proteins. We then test the parameterization on a benchmark set of the protein kinase-like superfamily. We prove that, when the biologically relevant portions of the proteins are retained, it can robustly discriminate between the various families in the set in a way not possible through sequence or conventional structural representations alone. We then compare our representation with the Cartesian coordinate description and show that, as expected, the correlation with that representation increases as the level of detail, measured by the highest rank of multipoles used in the representation, approaches the dimensionality of the fold space. CONCLUSION: The results described here demonstrate how a granular description of the protein structure can be achieved using multipolar coefficients. The description has the additional advantage of being immediately generalizable for any residue-specific property therefore providing a unitary framework for the study and comparison of the spatial profile of various protein properties

    The Lerch Zeta Function II. Analytic Continuation

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    This is the second of four papers that study algebraic and analytic structures associated with the Lerch zeta function. In this paper we analytically continue it as a function of three complex variables. We that it is well defined as a multivalued function on the manifold M equal to C^3 with the hyperplanes corresponding to integer values of the two variables a and c removed. We show that it becomes single valued on the maximal abelian cover of M. We compute the monodromy functions describing the multivalued nature of this function on M, and determine various of their properties.Comment: 29 pages, 3 figures; v2 notation changes, homotopy action on lef

    Detecting Neutrino Magnetic Moments with Conducting Loops

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    It is well established that neutrinos have mass, yet it is very difficult to measure those masses directly. Within the standard model of particle physics, neutrinos will have an intrinsic magnetic moment proportional to their mass. We examine the possibility of detecting the magnetic moment using a conducting loop. According to Faraday's Law of Induction, a magnetic dipole passing through a conducting loop induces an electromotive force, or EMF, in the loop. We compute this EMF for neutrinos in several cases, based on a fully covariant formulation of the problem. We discuss prospects for a real experiment, as well as the possibility to test the relativistic formulation of intrinsic magnetic moments.Comment: 6 pages, 4 b/w figures, uses RevTe

    Spin-dependent electron-impurity scattering in two-dimensional electron systems

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    We present a theoretical study of elastic spin-dependent electron scattering caused by a charged impurity in the vicinity of a two-dimensional electron gas. We find that the symmetry properties of the spin-dependent differential scattering cross section are different for an impurity located in the plane of the electron gas and for one at a finite distance from the plane. We show that in the latter case asymmetric (`skew') scattering can arise if the polarization of the incident electron has a finite projection on the plane spanned by the normal vector of the two-dimensional electron gas and the initial propagation direction. In specially preparated samples this scattering mechanism may give rise to a Hall-like effect in the presence of an in-plane magnetic field.Comment: 4.1 pages, 2 figure

    Birational Mappings and Matrix Sub-algebra from the Chiral Potts Model

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    We study birational transformations of the projective space originating from lattice statistical mechanics, specifically from various chiral Potts models. Associating these models to \emph{stable patterns} and \emph{signed-patterns}, we give general results which allow us to find \emph{all} chiral qq-state spin-edge Potts models when the number of states qq is a prime or the square of a prime, as well as several qq-dependent family of models. We also prove the absence of monocolor stable signed-pattern with more than four states. This demonstrates a conjecture about cyclic Hadamard matrices in a particular case. The birational transformations associated to these lattice spin-edge models show complexity reduction. In particular we recover a one-parameter family of integrable transformations, for which we give a matrix representationComment: 22 pages 0 figure The paper has been reorganized, splitting the results into two sections : results pertaining to Physics and results pertaining to Mathematic

    Comparison between two cases study on water kiosks

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    Bottled water consumption in Europe began in the 70s. Environmental impact derived from water production chain is very significant: for example plastic bottles use, oil consumption for bottle production, air emission from vehicles transporting bottles, not recycled plastic packages, etc. In this research an environmental and economic impact evaluation was presented for two case studies, regarding water kiosk design with the aim of supplying controlled natural and sparkling water with better organoleptic quality compared to water directly supplied from aqueduct

    Some remarks on the visible points of a lattice

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    We comment on the set of visible points of a lattice and its Fourier transform, thus continuing and generalizing previous work by Schroeder and Mosseri. A closed formula in terms of Dirichlet series is obtained for the Bragg part of the Fourier transform. We compare this calculation with the outcome of an optical Fourier transform of the visible points of the 2D square lattice.Comment: 9 pages, 3 eps-figures, 1 jpeg-figure; updated version; another article (by M. Baake, R. V. Moody and P. A. B. Pleasants) with the complete solution of the spectral problem will follow soon (see math.MG/9906132

    AdS_3 Partition Functions Reconstructed

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    For pure gravity in AdS_3, Witten has given a recipe for the construction of holomorphically factorizable partition functions of pure gravity theories with central charge c=24k. The partition function was found to be a polynomial in the modular invariant j-function. We show that the partition function can be obtained instead as a modular sum which has a more physical interpretation as a sum over geometries. We express both the j-function and its derivative in terms of such a sum.Comment: 9 page
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