Single chain properties of polyelectrolytes in poor solvent

Using molecular dynamics simulations we study the behavior of a dilute solution of strongly charged polyelectrolytes in poor solvents, where we take counterions explicitly into account. We focus on the chain conformational properties under conditions where chain-chain interactions can be neglected, but the counterion concentration remains finite. We investigate the conformations with regard to the parameters chain length, Coulomb interaction strength, and solvent quality, and explore in which regime the competition between short range hydrophobic interactions and long range Coulomb interactions leads to pearl-necklace like structures. We observe that large number and size fluctuations in the pearls and strings lead to only small direct signatures in experimental observables like the single chain form factor. Furthermore we do not observe the predicted first order collapse of the necklace into a globular structure when counterion condensation sets in. We will also show that the pearl-necklace regime is rather small for strongly charged polyelectrolytes at finite densities. Even small changes in the charge fraction of the chain can have a large impact on the conformation due to the delicate interplay between counterion distribution and chain conformation.Comment: 20 pages, 27 figures, needs jpc.sty (included), to appear in Jour. Phys. Chem

Continuous and discrete Clebsch variational principles

The Clebsch method provides a unifying approach for deriving variational principles for continuous and discrete dynamical systems where elements of a vector space are used to control dynamics on the cotangent bundle of a Lie group \emph{via} a velocity map. This paper proves a reduction theorem which states that the canonical variables on the Lie group can be eliminated, if and only if the velocity map is a Lie algebra action, thereby producing the Euler-Poincar\'e (EP) equation for the vector space variables. In this case, the map from the canonical variables on the Lie group to the vector space is the standard momentum map defined using the diamond operator. We apply the Clebsch method in examples of the rotating rigid body and the incompressible Euler equations. Along the way, we explain how singular solutions of the EP equation for the diffeomorphism group (EPDiff) arise as momentum maps in the Clebsch approach. In the case of finite dimensional Lie groups, the Clebsch variational principle is discretised to produce a variational integrator for the dynamical system. We obtain a discrete map from which the variables on the cotangent bundle of a Lie group may be eliminated to produce a discrete EP equation for elements of the vector space. We give an integrator for the rotating rigid body as an example. We also briefly discuss how to discretise infinite-dimensional Clebsch systems, so as to produce conservative numerical methods for fluid dynamics

The free rigid body dynamics: generalized versus classic

In this paper we analyze the normal forms of a general quadratic Hamiltonian system defined on the dual of the Lie algebra $\mathfrak{o}(K)$ of real $K$ - skew - symmetric matrices, where $K$ is an arbitrary $3\times 3$ real symmetric matrix. A consequence of the main results is that any first-order autonomous three-dimensional differential equation possessing two independent quadratic constants of motion which admits a positive/negative definite linear combination, is affinely equivalent to the classical "relaxed" free rigid body dynamics with linear controls.Comment: 12 page

Recent History Provides Sustainable African Water Quality Project Insight

Small-scale projects to provide clean drinking water undertaken in the developing world can contribute to significantly improving the livelihood of rural communities. There has been a historical tendency to poorly plan such projects leading to an unsustainable future. Recent history indicates three simple steps to ensuring successful and enduring clean water projects. First, identification of need by the indigenous community provides ownership in the project. Second, a partnership between key individuals in the indigenous community with the donor provides for ambassadors on both sides of the project. Finally, an exit strategy by the donors for the indigenous communities ensures local sustainability for the future. The study site is the village of Geisha in northern Malawi, Africa. Sustainable implementation approaches are discussed in this case study as well as the various lessons learned. Improved project processes ensure sustainable small-scale water quality projects by donor organizations in developing countries

Tilting mutation of weakly symmetric algebras and stable equivalence

We consider tilting mutations of a weakly symmetric algebra at a subset of simple modules, as recently introduced by T. Aihara. These mutations are defined as the endomorphism rings of certain tilting complexes of length 1. Starting from a weakly symmetric algebra A, presented by a quiver with relations, we give a detailed description of the quiver and relations of the algebra obtained by mutating at a single loopless vertex of the quiver of A. In this form the mutation procedure appears similar to, although significantly more complicated than, the mutation procedure of Derksen, Weyman and Zelevinsky for quivers with potentials. By definition, weakly symmetric algebras connected by a sequence of tilting mutations are derived equivalent, and hence stably equivalent. The second aim of this article is to study these stable equivalences via a result of Okuyama describing the images of the simple modules. As an application we answer a question of Asashiba on the derived Picard groups of a class of self-injective algebras of finite representation type. We conclude by introducing a mutation procedure for maximal systems of orthogonal bricks in a triangulated category, which is motivated by the effect that a tilting mutation has on the set of simple modules in the stable category.Comment: Description and proof of mutated algebra made more rigorous (Prop. 3.1 and 4.2). Okuyama's Lemma incorporated: Theorem 4.1 is now Corollary 5.1, and proof is omitted. To appear in Algebras and Representation Theor

Two-component {CH} system: Inverse Scattering, Peakons and Geometry

An inverse scattering transform method corresponding to a Riemann-Hilbert problem is formulated for CH2, the two-component generalization of the Camassa-Holm (CH) equation. As an illustration of the method, the multi - soliton solutions corresponding to the reflectionless potentials are constructed in terms of the scattering data for CH2.Comment: 22 pages, 3 figures, draft, please send comment

Lagrangian Reduction, the Euler--Poincar\'{e} Equations, and Semidirect Products

There is a well developed and useful theory of Hamiltonian reduction for semidirect products, which applies to examples such as the heavy top, compressible fluids and MHD, which are governed by Lie-Poisson type equations. In this paper we study the Lagrangian analogue of this process and link it with the general theory of Lagrangian reduction; that is the reduction of variational principles. These reduced variational principles are interesting in their own right since they involve constraints on the allowed variations, analogous to what one finds in the theory of nonholonomic systems with the Lagrange d'Alembert principle. In addition, the abstract theorems about circulation, what we call the Kelvin-Noether theorem, are given.Comment: To appear in the AMS Arnold Volume II, LATeX2e 30 pages, no figure

Lattice Models of Quantum Gravity

Standard Regge Calculus provides an interesting method to explore quantum gravity in a non-perturbative fashion but turns out to be a CPU-time demanding enterprise. One therefore seeks for suitable approximations which retain most of its universal features. The $Z_2$-Regge model could be such a desired simplification. Here the quadratic edge lengths $q$ of the simplicial complexes are restricted to only two possible values $q=1+\epsilon\sigma$, with $\sigma=\pm 1$, in close analogy to the ancestor of all lattice theories, the Ising model. To test whether this simpler model still contains the essential qualities of the standard Regge Calculus, we study both models in two dimensions and determine several observables on the same lattice size. In order to compare expectation values, e.g. of the average curvature or the Liouville field susceptibility, we employ in both models the same functional integration measure. The phase structure is under current investigation using mean field theory and numerical simulation.Comment: 4 pages, 1 figure

Controlled DNA compaction within chromatin: the tail-bridging effect

We study the mechanism underlying the attraction between nucleosomes, the fundamental packaging units of DNA inside the chromatin complex. We introduce a simple model of the nucleosome, the eight-tail colloid, consisting of a charged sphere with eight oppositely charged, flexible, grafted chains that represent the terminal histone tails. We demonstrate that our complexes are attracted via the formation of chain bridges and that this attraction can be tuned by changing the fraction of charged monomers on the tails. This suggests a physical mechanism of chromatin compaction where the degree of DNA condensation can be controlled via biochemical means, namely the acetylation and deacetylation of lysines in the histone tails.Comment: 4 pages, 5 figures, submitte

Can a precast pit latrine concrete floor withstand emptying operations? An investigation from Malawi

For fecal sludge from households in low- and middle-income countries to be treated offsite it needs to be removed, which can be greatly affected by the pit latrine floor design. However, it is unclear whether precast pit latrine concrete floors (latrine slabs) can withstand emptiers and their equipment. To investigate this issue, 28 prefabricated latrine slabs were purchased in two cities of Malawi. They were first visually evaluated, and then their compression strength was tested. Additionally, each seller was asked a series of questions to better understand their business, training, and construction practices. Results showed that households should perform due diligence to ensure that they are purchasing a safe precast latrine slab. Commonly reported problems included nonstandard reinforcement material and spacing, in addition to slabs that were not thick enough or were not large enough in diameter. The results of this research illustrate the inherent complexity in ensuring high-quality decentralized sanitation solutions and how one component, the user interface, if implemented poorly, can affect the rest of the value chain. The findings from this work can help inform training and initiatives that engage artisans and suppliers who play a role in the provision of onsite sanitation service delivery