Complex formation between a nanoparticle and a weak polyelectrolyte chain: Monte Carlo simulations

Understanding the complexation processes between nanoparticles and polyelectrolytes is an essential aspect in many branches of nanotechnology, nanoscience, chemistry, and biology to describe processes such as nanoparticle stabilization/destabilization and dispersion, water treatment, microencapsulation, complexation with biomolecules for example, and evolution of the interface of many natural and synthetic systems. In view of the complexity of such processes, applications are often based on empirical or semiempirical observations rather than on predictions based on theoretical or analytical models. In this study, the complex formation between an isolated weak polyelectrolyte and an oppositely charged nanoparticle is investigated using Monte Carlo simulations with screened Coulomb potentials in the grand canonical ensemble. The roles of the nanoparticle surface charge density , solution pH and ionic concentration C_i are systematically investigated. The phase diagrams of complex conformations are also presented. It is shown that the polyelectrolyte conformation at the surface of the nanoparticle is controlled by the attractive interactions with the nanoparticle but also by the repulsive interactions between the monomers. To bridge the gap with experiments titration curves are calculated. We clearly demonstrate that an oppositely charged nanoparticle can significantly modify the acid/base properties of a weak polyelectrolyte.     

On the <Emphasis Type="Italic">KO</Emphasis> Characteristic Cycle of a Spin<Superscript><Emphasis Type="Italic">c</Emphasis></Superscript> Manifold

We compute the KO-characteristic numbers of a characteristic submanifold of a Spin^c manifold in terms of its K-characteristic numbers. The proof is based on the geometry of the Thom class in K-theory and is simpler than the existing proofs of several previously known special cases.     

On almost hyperHermitian structures on Riemannian manifolds and tangent bundles

Some results concerning almost hyperHermitian structures are considered, using the notions of the canonical connection and the second fundamental tensor field h of a structure on a Riemannian manifold which were introduced by the second author. With the help of any metric connection on an almost Hermitian manifold M an almost hyperHermitian structure can be constructed in the defined way on the tangent bundle TM. A similar construction was considered in [6], [7]. This structure includes two basic anticommutative almost Hermitian structures for which the second fundamental tensor fields h ¹ and h ² are computed. It allows us to consider various classes of almost hyperHermitian structures on TM. In particular, there exists an infinite-dimensional set of almost hyperHermitian structures on TTM where M is any Riemannian manifold.     

A non-conforming finite element method with anisotropic mesh grading for the Stokes problem in domains with edges

The solution of the Stokes problem in three-dimensional domainswith edges has anisotropic singular behaviour which is treatednumerically by using anisotropic finite element meshes. Thevelocity is approximated by Crouzeix–Raviart (nonconformingP₁ ) elements and the pressure by piecewise constants. Thismethod is stable for general meshes (without minimal or maximalangle condition). Denoting by N_e the number of elements in themesh, the interpolation and consistency errors are of the optimalorder h N_e^–1/3 which is proved for tensor product meshes.As a by-product, we analyse also nonconforming prismatic elementswith P₁ [oplus ] span {x₃²} as the local space for the velocitywhere x₃ is the direction of the edge.     

Fagnano Orbits of Polygonal Dual Billiards

Given a convex n-gon P, a Fagnano periodic orbit of the respective dual billiard map is an n-gon Q whose sides are bisected by the vertices of P. For which polygons P does the ratio Area Q/Area P have the minimal value? The answer is shown to be: for affine-regular polygons.     

New trends in polylactide (PLA)-based materials: “Green” PLA-Calcium sulfate (nano)composites tailored with flame retardant properties

Starting from gypsum, a by-product of lactic acid fabrication process, novel “green” composites have been produced by melt-blending polylactide (PLA) and this filler after a previous specific dehydration to obtain anhydrite II (AII). Such a material is potentially interesting in biodegradable/rigid packaging and in technical applications requiring rigidity, heat resistance and dimensional stability. In order to obtain PLA-AII composites characterized by specific end-use flame retardant properties, the addition of selected organo-modified layered silicates (OMLS) was considered. Co-addition of AII and OMLS leads to PLA (nano)composites characterized by good (nano)filler dispersion, thermal stability and adequate mechanical resistance. The flame retardant properties as shown by cone calorimetry showed significant increase in the ignition time compared to neat PLA and a substantial decrease, i.e., ca. 40%, of the maximum rate of heat release, whereas the UL94 HB test was successfully passed revealing non-dripping effect and extensive char formation. The study represents a new approach in formulating novel PLA grades with improved characteristic features.     

Electrogenerated chemiluminescence of poly[(2,2′-bipyridyl)(4-(2-pyrrol-1-ylethyl)-4′-methyl-2,2′-bipyridyl)2]ruthenium (II) film

Elelctrogenerated chemiluminescence (ECL) of electropolymerized films based on [(2,2′-bipyridyl)(4-(2-pyrrol-1-ylethyl)-4′-methyl-2,2′-bipyridyl)₂]ruthenium (II) was firstly investigated in both organic and aqueous solution. The ECL behaviors have been explained by two typical mechanisms, namely, redox-cycling type and oxidative-reduction type. For the former, no co-reactant was required and for the latter, tripropylamine (TPA) and (NH₄)₂C₂O₄ were selected as co-reactants in the organic and aqueous system, respectively.     

A short and efficient synthesis of the NMDA glycine site antagonist: (3R,4R)-3-amino-1-hydroxy-4-methyl pyrrolidin-2-one (L-687,414)

A short and efficient synthesis of the NMDA glycine site antagonist: (3R,4R)-3-amino-1-hydroxy-4-methyl pyrrolidin-2-one (L-687,414) is described.     

Totally skew embeddings of manifolds

We study a version of Whitney’s embedding problem in projective geometry: What is the smallest dimension of an affine space that can contain an n-dimensional submanifold without any pairs of parallel or intersecting tangent lines at distinct points? This problem is related to the generalized vector field problem, existence of non-singular bilinear maps, and the immersion problem for real projective spaces. We use these connections and other methods to obtain several specific and general bounds for the desired dimension.