Molecular dynamics simulations were carried out on a series of Lennard-Jones binary mixtures of rigid, asymmetric, dumbbell-shaped molecules. Below an onset temperature, the rotational and translational dynamics split into the slow structural α relaxation and a higher-frequency Johari-Goldstein β relaxation. Both processes are dynamically heterogeneous, having broad distributions of relaxation ...

BACKGROUND New insight into the 3D dynamic behavior of the mitral valve has prompted a reevaluation of annuloplasty ring designs. Force balance analysis indicates correlation between annulus forces and stresses in leaflets and chords. Improving this stress distribution can intuitively enhance the durability of mitral valve repair. We tested the hypothesis that saddle-shaped annuloplasty rings h...

The first component of the bacterial phosphotransferase system, enzyme I (EI), is a multidomain 128 kDa dimer that undergoes large rigid-body conformational transitions during the course of its catalytic cycle. Here we investigate the solution structure of a non-phosphorylatable active-site mutant in which the active-site histidine is substituted by glutamine. We show that perturbations in the ...

The exponential and Cayley maps on SE(3) are the prevailing coordinate used in Lie group integration schemes for rigid body flexible systems. Such geometric integrators Munthe–Kaas generalized- α schemes, which involve differential its directional derivative of respective map. Relevant closed form expressions, were reported over last two decades, scattered literature, some without proof. This p...

In order to study the influence of compliance parts on spatial multibody systems, a rigid-flexible coupling dynamic equation crank-slider mechanism is established based finite element method. Specifically, absolute node coordinate formulation (ANCF) used formulate three-dimensional, two-node flexible cable element. The derived by Lagrange multiplier method and solved generalized α Newton–Raphso...

Abstract. Given an n-tuple of positive real numbers (α1, . . . , αn), Konno [K2] defines the hyperpolygon space X(α), a hyperkähler analogue of the Kähler variety M(α) parametrizing polygons in R3 with edge lengths (α1, . . . , αn). The polygon space M(α) can be interpreted as the moduli space of stable representations of a certain quiver with fixed dimension vector; from this point of view, X(...

A series of iron(II) chloride complexes of pentadentate ligands related to α,α,α',α'-tetra(pyrazolyl)-2,6-lutidine, pz(4)lut, has been prepared to evaluate whether pyrazolyl substitution has any systematic impact on the electronic properties of the complexes. For this purpose, the new tetrakis(3,4,5-trimethylpyrazolyl)lutidine ligand, pz**(4)lut, was prepared via a CoCl(2)-catalyzed rearrangeme...

The mechanical behavior of endovascular coronary stents influences their therapeutic efficacy. Through computational studies, researchers can analyze device performance and improve designs. We developed a 1-dimensional finite element method, net-based algorithm and used it to analyze the effects of radial loading and bending in commercially available stents. Our computational study included des...