972 resultados para Circular-dichroism Spectra


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We demonstrate diffusing-wave spectroscopy (DWS) in a localized region of a viscoelastically inhomogeneous object by measurement of the intensity autocorrelation g(2)(tau)] that captures only the decay introduced by the temperature-induced Brownian motion in the region. The region is roughly specified by the focal volume of an ultrasound transducer which introduces region specific mechanical vibration owing to insonification. Essential characteristics of the localized non-Markovian dynamics are contained in the decay of the modulation depth M(tau)], introduced by the ultrasound forcing in the focal volume selected, on g(2)(tau). The modulation depth M(tau(i)) at any delay time tau(i) can be measured by short-time Fourier transform of g(2)(tau) and measurement of the magnitude of the spectrum at the ultrasound drive frequency. By following the established theoretical framework of DWS, we are able to connect the decay in M(tau) to the mean-squared displacement (MSD) of scattering centers and the MSD to G*(omega), the complex viscoelastic spectrum. A two-region composite polyvinyl alcohol phantom with different viscoelastic properties is selected for demonstrating local DWS-based recovery of G*(omega) corresponding to these regions from the measured region specific M(tau(i))vs tau(i). The ultrasound-assisted measurement of MSD is verified by simulating, using a generalized Langevin equation (GLE), the dynamics of the particles in the region selected as well as by the usual DWS experiment without the ultrasound. It is shown that whereas the MSD obtained by solving the GLE without the ultrasound forcing agreed with its experimental counterpart covering small and large values of tau, the match was good only in the initial transients in regard to experimental measurements with ultrasound.

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The boxicity (resp. cubicity) of a graph G(V, E) is the minimum integer k such that G can be represented as the intersection graph of axis parallel boxes (resp. cubes) in R-k. Equivalently, it is the minimum number of interval graphs (resp. unit interval graphs) on the vertex set V, such that the intersection of their edge sets is E. The problem of computing boxicity (resp. cubicity) is known to be inapproximable, even for restricted graph classes like bipartite, co-bipartite and split graphs, within an O(n(1-epsilon))-factor for any epsilon > 0 in polynomial time, unless NP = ZPP. For any well known graph class of unbounded boxicity, there is no known approximation algorithm that gives n(1-epsilon)-factor approximation algorithm for computing boxicity in polynomial time, for any epsilon > 0. In this paper, we consider the problem of approximating the boxicity (cubicity) of circular arc graphs intersection graphs of arcs of a circle. Circular arc graphs are known to have unbounded boxicity, which could be as large as Omega(n). We give a (2 + 1/k) -factor (resp. (2 + log n]/k)-factor) polynomial time approximation algorithm for computing the boxicity (resp. cubicity) of any circular arc graph, where k >= 1 is the value of the optimum solution. For normal circular arc (NCA) graphs, with an NCA model given, this can be improved to an additive two approximation algorithm. The time complexity of the algorithms to approximately compute the boxicity (resp. cubicity) is O(mn + n(2)) in both these cases, and in O(mn + kn(2)) = O(n(3)) time we also get their corresponding box (resp. cube) representations, where n is the number of vertices of the graph and m is its number of edges. Our additive two approximation algorithm directly works for any proper circular arc graph, since their NCA models can be computed in polynomial time. (C) 2014 Elsevier B.V. All rights reserved.

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Pure rotational spectra of the propargyl alcohol dimer and its three deuterium isotopologues have been observed in the 4 to 13 GHz range using a pulsed-nozzle Fourier transform microwave spectrometer. For the parent dimer, a total of 51 transitions could be observed and fitted within experimental uncertainty. For two mono-substituted and one bi-substituted deuterium isotopologues, a total of 14, 17, and 19 transitions were observed, respectively. The observed rotational constants for the parent dimer A = 2321.8335(4) MHz, B = 1150.4774(2) MHz, and C = 1124.8898(2) MHz] are close to those of the most stable structure predicted by ab initio calculations. Spectra of the three deuterated isotopologues and Kraitchman analysis positively confirm this structure. Geometrical parameters and ``Atoms in Molecules'' analysis on the observed structure reveal that the two propargyl alcohol units in the dimer are bound by three different types of hydrogen bonds: O-H center dot center dot center dot O, O-H center dot center dot center dot pi, and C-H center dot center dot center dot pi. To the best of our knowledge, propargyl alcohol seems to be the smallest molecule forming a homodimer with three different points of contact. (C) 2014 AIP Publishing LLC.

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The ultimate bearing capacity of a circular footing, placed over a soil mass which is reinforced with horizontal layers of circular reinforcement sheets, has been determined by using the upper bound theorem of the limit analysis in conjunction with finite elements and linear optimization. For performing the analysis, three different soil media have been separately considered, namely, (i) fully granular, (ii) cohesive frictional, and (iii) fully cohesive with an additional provision to account for an increase of cohesion with depth. The reinforcement sheets are assumed to be structurally strong to resist axial tension but without having any resistance to bending; such an approximation usually holds good for geogrid sheets. The shear failure between the reinforcement sheet and adjoining soil mass has been considered. The increase in the magnitudes of the bearing capacity factors (N-c and N-gamma) with an inclusion of the reinforcement has been computed in terms of the efficiency factors eta(c) and eta(gamma). The results have been obtained (i) for different values of phi in case of fully granular (c=0) and c-phi soils, and (ii) for different rates (m) at which the cohesion increases with depth for a purely cohesive soil (phi=0 degrees). The critical positions and corresponding optimum diameter of the reinforcement sheets, for achieving the maximum bearing capacity, have also been established. The increase in the bearing capacity with an employment of the reinforcement increases continuously with an increase in phi. The improvement in the bearing capacity becomes quite extensive for two layers of the reinforcements as compared to the single layer of the reinforcement. The results obtained from the study are found to compare well with the available theoretical and experimental data reported in literature. (C) 2014 The Japanese Geotechnical Society. Production and hosting by Elsevier B.V. All rights reserved.

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The use of Projection Reconstruction (PR) to obtain two-dimensional (2D) spectra from one-dimensional (1D) data in the solid state is illustrated. The method exploits multiple 1D spectra obtained using magic angle spinning and off-magic angle spinning. The spectra recorded under the influence of scaled heteronuclear scalar and dipolar couplings in the presence of homonuclear dipolar decoupling sequences have been used to reconstruct J/D Resolved 2D-NMR spectra. The use of just two 1D spectra is observed sufficient to reconstruct a J-resolved 2D-spectrum while a Separated Local Field (SLF) 2D-NMR spectrum could be obtained from three 1D spectra. The experimental techniques for recording the 10 spectra and procedure of reconstruction are discussed and the reconstructed results are compared with 20 experiments recorded in traditional methods. The application of the technique has been made to a solid polycrystalline sample and to a uniaxially oriented liquid crystal. Implementation of PR-NMR in solid state provides high-resolution spectra as well as leads to significant reduction in experimental time. The experiments are relatively simple and are devoid of several technical complications involved in performing the 2D experiments.

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A method is presented for determining the ultimate bearing capacity of a circular footing reinforced with a horizontal circular sheet of reinforcement placed over granular and cohesive-frictional soils. It was assumed that the reinforcement sheet could bear axial tension but not the bending moment. The analysis was performed based on the lower-bound theorem of the limit analysis in combination with finite elements and linear optimization. The present research is an extension of recent work with strip foundations reinforced with different layers of reinforcement. To incorporate the effect of the reinforcement, the efficiency factors eta(gamma) and eta(c), which need to be multiplied by the bearing capacity factors N-gamma and N-c, were established. Results were obtained for different values of the soil internal friction angle (phi). The optimal positions of the reinforcements, which would lead to a maximum improvement in the bearing capacity, were also determined. The variations of the axial tensile force in the reinforcement sheet at different radial distances from the center were also studied. The results of the analysis were compared with those available from literature. (C) 2014 American Society of Civil Engineers.

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The entropy generation due to mixed convective heat transfer of nanofluids past a rotating circular cylinder placed in a uniform cross stream is investigated via streamline upwind Petrov-Galerkin based finite element method. Nanosized copper (Cu) particles suspended in water are used with Prandtl number (Pr)=6.9. The computations are carried out at a representative Reynolds number (Re) of 100. The dimensionless cylinder rotation rate, a, is varied between 0 and 2. The range of nanoparticle volume fractions (phi) considered is 0 <= phi <= 5%. Effect of aiding buoyancy is brought about by considering two fixed values of the Richardson number (Ri) as 0.5 and 1.0. A new model for predicting the effective viscosity and thermal conductivity of dilute suspensions of nanoscale colloidal particles is presented. The model addresses the details of the agglomeration-deagglomeration in tune with the pertinent variations in the effective particulate dimensions, volume fractions, as well as the aggregate structure of the particulate system. The total entropy generation is found to decrease sharply with cylinder rotation rates and nanoparticle volume fractions. Increase in nanoparticle agglomeration shows decrease in heat transfer irreversibility. The Bejan number falls sharply with increase in alpha and phi.

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NMR-based approach to metabolomics typically involves the collection of two-dimensional (2D) heteronuclear correlation spectra for identification and assignment of metabolites. In case of spectral overlap, a 3D spectrum becomes necessary, which is hampered by slow data acquisition for achieving sufficient resolution. We describe here a method to simultaneously acquire three spectra (one 3D and two 2D) in a single data set, which is based on a combination of different fast data acquisition techniques such as G-matrix Fourier transform (GFT) NMR spectroscopy, parallel data acquisition and non-uniform sampling. The following spectra are acquired simultaneously: (1) C-13 multiplicity edited GFT (3,2)D HSQC-TOCSY, (2) 2D H-1- H-1] TOCSY and (3) 2D C-13- H-1] HETCOR. The spectra are obtained at high resolution and provide high-dimensional spectral information for resolving ambiguities. While the GFT spectrum has been shown previously to provide good resolution, the editing of spin systems based on their CH multiplicities further resolves the ambiguities for resonance assignments. The experiment is demonstrated on a mixture of 21 metabolites commonly observed in metabolomics. The spectra were acquired at natural abundance of C-13. This is the first application of a combination of three fast NMR methods for small molecules and opens up new avenues for high-throughput approaches for NMR-based metabolomics.

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The ultimate bearing capacity of a circular footing, placed over rock mass, is evaluated by using the lower bound theorem of the limit analysis in conjunction with finite elements and nonlinear optimization. The generalized Hoek-Brown (HB) failure criterion, but by keeping a constant value of the exponent, alpha = 0.5, was used. The failure criterion was smoothened both in the meridian and pi planes. The nonlinear optimization was carried out by employing an interior point method based on the logarithmic barrier function. The results for the obtained bearing capacity were presented in a non-dimensional form for different values of GSI, m(i), sigma(ci)/(gamma b) and q/sigma(ci). Failure patterns were also examined for a few cases. For validating the results, computations were also performed for a strip footing as well. The results obtained from the analysis compare well with the data reported in literature. Since the equilibrium conditions are precisely satisfied only at the centroids of the elements, not everywhere in the domain, the obtained lower bound solution will be approximate not true. (C) 2015 Elsevier Ltd. All rights reserved.

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The bearing capacity of a circular footing lying over fully cohesive strata, with an overlaying sand layer, is computed using the axisymmetric lower bound limit analysis with finite elements and linear optimization. The effects of the thickness and the internal friction angle of the sand are examined for different combinations of c(u)/(gamma b) and q, where c(u)=the undrained shear strength of the cohesive strata, gamma=the unit weight of either layer, b=the footing radius, and q=the surcharge pressure. The results are given in the form of a ratio (eta) of the bearing capacity with an overlaying sand layer to that for a footing lying directly over clayey strata. An overlaying medium dense to dense sand layer considerably improves the bearing capacity. The improvement continuously increases with decreases in c(u)/(gamma b) and increases in phi and q/(gamma b). A certain optimum thickness of the sand layer exists beyond which no further improvement occurs. This optimum thickness increases with an increase in 0 and q and with a decrease in c(u)/(gamma b). Failure patterns are also drawn to examine the inclusion of the sand layer. (C) 2015 The Japanese Geotechnical Society. Production and hosting by Elsevier B.V. All rights reserved.

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Assemblages of circular tubes and circular honeycombs in close packed arrangement are presently both competing and complementing regular honeycomb structures (HCS). The intrinsic isotropy of bundled tubes/rings in hexagonal arrays restricts their use to applications with isotopic need. With the aim of extending the utility of tubes/rings assemblages to anisotropic needs, this paper explores the prospects of bundled tubes and circular honeycombs in a general diamond array structure (DAS) to cater these needs. To this end, effective transverse Young's moduli and Poisson's ratio for thick/thin DAS are obtained theoretically. Analysis frameworks including thin ring theory (TRT), curved beam theory (CBT) and elasticity formulations are tested and corroborated by FEA employing contact elements. Results indicate that TRT and CBT are reasonable for thin tubes and honeycombs. Nevertheless, TRT yields compact formulae to study the anisotropy ratio, moduli spectrum and sensitivity of the assemblage as a function of thicknesses and array structure. These formulae supplement designers as a guide to tailor the structures. On the other hand, elasticity formulation can estimate over a larger range including very thick tubes/rings. In addition, this formulation offers to estimate refined transverse strengths of assemblages. (C) 2015 Elsevier Ltd. All rights reserved.

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Use of circular hexagonal honeycomb structures and tube assemblies in energy absorption systems has attracted a large number of literature on their characterization under crushing and impact loads. Notwithstanding these, effective shear moduli (G*) required for complete transverse elastic characterization and in analyses of hierarchical structures have received scant attention. In an attempt to fill this void, the present study undertakes to evaluate G* of a generalized circular honeycomb structures and tube assemblies in a diamond array structure (DAS) with no restriction on their thickness. These structures present a potential to realize a spectrum of moduli with minimal modifications, a point of relevance for manufactures and designers. To evaluate G* in this paper, models based on technical theories - thin ring theory and curved beam theory - and rigorous theory of elasticity are investigated and corroborated with FEA employing contact elements. Technical theories which give a good match for thin HCS offer compact expressions for moduli which can be harvested to study sensitivity of moduli on topology. On the other hand, elasticity model offers a very good match over a large range of thickness along with exact analysis of stresses by employing computationally efficient expressions. (C) 2015 Elsevier Ltd. All rights reserved.

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Most often the measurement of VHF from the conventional 1D H-1 NMR spectrum is severely hindered consequent to similar magnitudes of JHF and JHH couplings and the spectral multiplicity pattern. The present study reports a new 1D NMR technique based on real time spin edition, which removes all JHF and JHH while retaining only VHF of a chosen fluorine. The obtained spectrum is significantly simplified and permits straightforward determination of all possible VHF values of a chosen fluorine. Due to one dimensional nature, the method is much faster compared to 2D GET-SERF by 1-2 orders of magnitude. (C) 2015 Elsevier B.V. All rights reserved.

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Nonlinear acoustic wave propagation is considered in an infinite orthotropic thin circular cylindrical waveguide. The modes are non-planar having small but finite amplitude. The fluid is assumed to be ideal and inviscid with no mean flow. The cylindrical waveguide is modeled using the Donnell's nonlinear theory for thin cylindrical shells. The approximate solutions for the acoustic velocity potential are found using the method of multiple scales (MMS) in space and time. The calculations are presented up to the third order of the small parameter. It is found that at some frequencies the amplitude modulation is governed by the Nonlinear Schrodinger Equation (NLSE). The first objective is to study the nonlinear term in the NLSE, as the sign of the nonlinear term determines the stability of the amplitude modulation. On the other hand, at other specific frequencies, interactions occur between the primary wave and its higher harmonics. Here, the objective is to identify the frequencies of the higher harmonic interactions. Lastly, the linear terms in the NLSE obtained using the MMS calculations are validated. All three objectives are met using an asymptotic analysis of the dispersion equation. (C) 2015 Acoustical Society of America.

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A Circular Economy (CE) values material, technical or biological, as nutrient. CE thinking seeks to accelerate the conversion of technical nutrient cycles along the lines of biological nutrient cycles by re-designing systems till the scale of the economy. Though the notion of products being technical nutrient exists, its situation as an outcome of design intent is not contextually made. One objective of this article is to situate design and nutrient cycles of the earth system as and within natural cycles. This situation emphasizes the mechanism by which design affects nutrient availability to vital earth systems and draws attention to the functions that nutrients afford and serve by default before being embodied in products by human intent. The first principle of CE seeks to eliminate waste and re-purpose nutrients with minimal energy. Towards this, the historic trend of perceiving waste is drawn and Gestalts identified to arrive at the concept of tenancy and inform design. Tenancy is defined as the duration for which the nutrient embodied serves some purpose. Identifying the 6R scenarios as nutrient re-purposing functions, corresponding design strategies are stated.