A duality theorem for generalized local cohomology

We prove a duality theorem for graded algebras over a field that implies several known duality results: graded local duality, versions of Serre duality for local cohomology and of Suzuki duality for generalized local cohomology, and Herzog-Rahimi bigraded duality.

     

Super face d-antimagic labeling for disjoint union of toroidal fullerenes

The discovery of the fullerene molecules and related forms of carbon such as nanotubes has generated an explosion of activity in chemistry, physics, and materials science. Classical fullerene is an all-carbon molecule in which the atoms are arranged on a pseudospherical framework made up entirely of pentagons and hexagons. A toroidal fullerene (toroidal polyhex) is a cubic bipartite graph embedded on the torus such that each face is a hexagon. In this paper we examine the existence of entire labeling, where face-weights of all 6-sided faces of disjoint union of toroidal fullerenes form an arithmetic progression with common difference \(\hbox {d}\in \{1,2,3\}\).     

Spinor Green’s functions via spherical means on products of space forms

We explicitly compute the Green’s function of the spinor Klein–Gordon equation on the Riemannian and Lorentzian manifolds of the form _M0×?×_MN$M_0\times ?\times M_N$, with each factor being a space of constant sectional curvature. Our approach is based on an extension of the method of spherical means to the case of spinor fields and on the use of Riesz distributions.     

Rotating waves within a hollow vortex core

The rotating waves within a hollow vortex core (polygonal patterns) are generated under shallow water conditions inside a cylindrical tank by a revolving disk at its bottom. We previously reported some basic features of these polygonal patterns during transition and at the equilibrium states. The present paper includes a more comprehensive investigation into the transition process of these polygonal patterns and expands the recent partial results that have been previously reported. We show that the parent wave (or the N-gon pattern) to disk frequencies ratio is around one-third (1/3) regardless of the flow conditions. A detailed insight into the transition process from the parent wave N-gon to daughter wave (N + 1)-gon is provided, which consists of two regimes, quasi-periodic and synchronized. Based on these observations, we explained the shrinking of the disk speed subintervals over which the N-gon patterns occur, when N increases.     

An integrated solution and analysis of bioluminescence tomography and diffuse optical tomography

While diffuse optical tomography (DOT) has been studied for years, bioluminescence tomography (BLT) is emerging as a promising optical molecular imaging tool. These two modalities have different goals. DOT is for reconstruction of optical parameters of a medium such as a breast from surface measurements induced by external sources. BLT is for reconstruction of a bioluminescent source distribution in a medium such as a mouse from surface measurements induced by internal bioluminescent sources. However, an important pre-requisite for BLT reconstruction is the knowledge on the distribution of optical parameters within the medium, which is the output of DOT. In this paper, we propose a mathematical model integrating BLT and DOT at the fundamental level; that is, performing the two types of reconstructions simultaneously instead of doing them sequentially. The model is introduced through minimizing the difference between predicted quantities and boundary measurements, as well as incorporating regularization terms. Then, we show the solution existence, introduce numerical schemes and prove convergence of the numerical solution. We also present numerical results to illustrate the utility of our approach.     

A combined treatment of hydration and dynamical effects for the modeling of host–guest binding thermodynamics: the SAMPL5 blinded challenge

As part of the SAMPL5 blinded experiment, we computed the absolute binding free energies of 22 host–guest complexes employing a novel approach based on the BEDAM single-decoupling alchemical free energy protocol with parallel replica exchange conformational sampling and the AGBNP2 implicit solvation model specifically customized to treat the effect of water displacement as modeled by the Hydration Site Analysis method with explicit solvation. Initial predictions were affected by the lack of treatment of ionic charge screening, which is very significant for these highly charged hosts, and resulted in poor relative ranking of negatively versus positively charged guests. Binding free energies obtained with Debye–Hückel treatment of salt effects were in good agreement with experimental measurements. Water displacement effects contributed favorably and very significantly to the observed binding affinities; without it, the modeling predictions would have grossly underestimated binding. The work validates the implicit/explicit solvation approach employed here and it shows that comprehensive physical models can be effective at predicting binding affinities of molecular complexes requiring accurate treatment of conformational dynamics and hydration.     

Preparation of conductive,flexible and transparent films by in situ deposition of polypyrrole nanoparticles on polyethylene terephthalate

In this study polypyrrole (PPy) nanoparticles were deposited as a thin film on the modified surface of polyethyleneterephthalate (PET) by in situ chemical polymerization in the presence of sodium dodecylsulfate (SDS), sodium dodecylbenzenesulfonate (DBSNa) and mixture of them as the surfactant. The surface of PET was modified by KOH before deposition and was investigated for conductivity and adhesion of PPy nanoparticles to PET. Resulting conductive flexible films were characterized by UV–Vis spectroscopy, fieldemission scanning electron microscopy, contact angle measurements and four-point-probe technique for conductivity. Direct morphological observation (FESEM) and electrical measurements indicated that the morphology, conductivity and the nature of deposited PPy films depend on surfactant, surface modification of PET and monomer concentration. In optimized process condition, uniform conductive films of PPy were obtained with good adhesion to PET.     

Sodium chloride nanorods from nanorods of one-dimensional pencil-shaped sodium coordination polymer

By considering the structure of one-dimensional pencil-shaped organometallic coordination polymer that was previously reported, we designed and synthesized [Na(μ₂-Hdcpa)(μ₃-dcpa)] _n (1), [Hdcpa = 2,4-dichlorophenoxyacetic acid], which has one-dimensional pencil-shaped structure too. The Na atoms are surrounded with the aromatic phenyl rings of Hdcpa similar to graphite of a pencil. Metalophilic interactions also exists in 1 between Na(I) ions similar to argentophilic interaction in our previous compound which results in formation of chain structure similar to graphite structure of a pencil. Compound 1 nanorods were formed under ultrasonic irradiation and applied as template to fabricate sodium chloride nanorods. The interesting feature of our work is the formation of sodium chloride nanorods from compound 1 nanorods which have one-dimensional structure in the solid state.     

Prediction of mixed-mode fracture based on an elasto–plastic energy balance criterion

The maximum energy release rate criterion, i.e., G _max criterion, is commonly used for crack propagation analysis. This fracture criterion is based on the elastic macroscopic strength of materials. In the present investigation, however, the G _max criterion has been modified in order to accommodate the consideration of plastic strain energy. This modified criterion is extended to study the fatigue crack growth characteristics of mixed-mode cracks. To predict crack propagation due to fatigue loads, a new elasto–plastic energy model is presented. This new model includes the effects of material properties such as strain hardening exponent n, yield strength σ _y , and fracture toughness and stress intensity factor ranges. The results obtained are compared with those obtained using the commonly employed crack growth law and the experimental data.