Heat Kernel for Open Manifolds

In a 1991 paper by Buttig and Eichhorn, the existence and uniqueness of a differential forms heat kernel on open manifolds of bounded geometry was proven. In that paper, it was shown that the heat kernel obeyed certain properties, one of which was a relationship between the derivative of heat kernel of different degrees. We will give a proof of this condition for complete manifolds with Ricci curvature bounded below, and then use it to give an integral representation of the heat kernel of degree $k$

Spaces of finite element differential forms

We discuss the construction of finite element spaces of differential forms which satisfy the crucial assumptions of the finite element exterior calculus, namely that they can be assembled into subcomplexes of the de Rham complex which admit commuting projections. We present two families of spaces in the case of simplicial meshes, and two other families in the case of cubical meshes. We make use of the exterior calculus and the Koszul complex to define and understand the spaces. These tools allow us to treat a wide variety of situations, which are often treated separately, in a unified fashion.Comment: To appear in: Analysis and Numerics of Partial Differential Equations, U. Gianazza, F. Brezzi, P. Colli Franzone, and G. Gilardi, eds., Springer 2013. v2: a few minor typos corrected. v3: a few more typo correction

Hodge Theory on Metric Spaces

Hodge theory is a beautiful synthesis of geometry, topology, and analysis, which has been developed in the setting of Riemannian manifolds. On the other hand, spaces of images, which are important in the mathematical foundations of vision and pattern recognition, do not fit this framework. This motivates us to develop a version of Hodge theory on metric spaces with a probability measure. We believe that this constitutes a step towards understanding the geometry of vision. The appendix by Anthony Baker provides a separable, compact metric space with infinite dimensional \alpha-scale homology.Comment: appendix by Anthony W. Baker, 48 pages, AMS-LaTeX. v2: final version, to appear in Foundations of Computational Mathematics. Minor changes and addition

A simplicial gauge theory

We provide an action for gauge theories discretized on simplicial meshes, inspired by finite element methods. The action is discretely gauge invariant and we give a proof of consistency. A discrete Noether's theorem that can be applied to our setting, is also proved.Comment: 24 pages. v2: New version includes a longer introduction and a discrete Noether's theorem. v3: Section 4 on Noether's theorem has been expanded with Proposition 8, section 2 has been expanded with a paragraph on standard LGT. v4: Thorough revision with new introduction and more background materia

Families index theory for Overlap lattice Dirac operator. I

The index bundle of the Overlap lattice Dirac operator over the orbit space of lattice gauge fields is introduced and studied. Obstructions to the vanishing of gauge anomalies in the Overlap formulation of lattice chiral gauge theory have a natural description in this context. Our main result is a formula for the topological charge (integrated Chern character) of the index bundle over even-dimensional spheres in the orbit space. It reduces under suitable conditions to the topological charge of the usual (continuum) index bundle in the classical continuum limit (this is announced and sketched here; the details will be given in a forthcoming paper). Thus we see that topology of the index bundle of the Dirac operator over the gauge field orbit space can be captured in a finite-dimensional lattice setting.Comment: Latex, 23 pages. v4: minor improvements, results unchanged; to appear in Nucl.Phys.

Uniform existence of the integrated density of states for random Schr\"odinger operators on metric graphs over Zd\mathbb{Z}^d

We consider ergodic random magnetic Schr\"odinger operators on the metric graph $\mathbb{Z}^d$ with random potentials and random boundary conditions taking values in a finite set. We show that normalized finite volume eigenvalue counting functions converge to a limit uniformly in the energy variable. This limit, the integrated density of states, can be expressed by a closed Shubin-Pastur type trace formula. It supports the spectrum and its points of discontinuity are characterized by existence of compactly supported eigenfunctions. Among other examples we discuss percolation models.Comment: 17 pages; typos removed, references updated, definition of subgraph densities explaine

Expansion in SL_d(Z/qZ), q arbitrary

Let S be a fixed finite symmetric subset of SL_d(Z), and assume that it generates a Zariski-dense subgroup G. We show that the Cayley graphs of pi_q(G) with respect to the generating set pi_q(S) form a family of expanders, where pi_q is the projection map Z->Z/qZ

Self-avoiding walks and connective constants

The connective constant $\mu(G)$ of a quasi-transitive graph $G$ is the asymptotic growth rate of the number of self-avoiding walks (SAWs) on $G$ from a given starting vertex. We survey several aspects of the relationship between the connective constant and the underlying graph $G$. $\bullet$ We present upper and lower bounds for $\mu$ in terms of the vertex-degree and girth of a transitive graph. $\bullet$ We discuss the question of whether $\mu\ge\phi$ for transitive cubic graphs (where $\phi$ denotes the golden mean), and we introduce the Fisher transformation for SAWs (that is, the replacement of vertices by triangles). $\bullet$ We present strict inequalities for the connective constants $\mu(G)$ of transitive graphs $G$, as $G$ varies. $\bullet$ As a consequence of the last, the connective constant of a Cayley graph of a finitely generated group decreases strictly when a new relator is added, and increases strictly when a non-trivial group element is declared to be a further generator. $\bullet$ We describe so-called graph height functions within an account of "bridges" for quasi-transitive graphs, and indicate that the bridge constant equals the connective constant when the graph has a unimodular graph height function. $\bullet$ A partial answer is given to the question of the locality of connective constants, based around the existence of unimodular graph height functions. $\bullet$ Examples are presented of Cayley graphs of finitely presented groups that possess graph height functions (that are, in addition, harmonic and unimodular), and that do not. $\bullet$ The review closes with a brief account of the "speed" of SAW.Comment: Accepted version. arXiv admin note: substantial text overlap with arXiv:1304.721

NMR and molecular modelling studies on the interaction of fluconazole with β-cyclodextrin

<p>Abstract</p> <p>Background</p> <p>Fluconazole (FLZ) is a synthetic, bistriazole antifungal agent, effective in treating superficial and systemic infections caused by <it>Candida </it>species. Major challenges in formulating this drug for clinical applications include solubility enhancement and improving stability in biological systems. Cyclodextrins (CDs) are chiral, truncated cone shaped macrocyles, and can easily encapsulate fluconazole inside their hydrophobic cavity. NMR spectroscopy has been recognized as an important tool for the interaction study of cyclodextrin and pharmaceutical compounds in solution state.</p> <p>Results</p> <p>Inclusion complex of fluconazole with β-cyclodextrins (β-CD) were investigated by applying NMR and molecular modelling methods. The 1:1 stoichiometry of FLZ:β-CD complex was determined by continuous variation (Job's plot) method and the overall association constant was determined by using Scott's method. The association constant was determined to be 68.7 M^-1which is consistent with efficient FLZ:β-CD complexation. The shielding of cavity protons of β-CD and deshielding of aromatic protons of FLZ in various¹H-NMR experiments show complexation between β-CD and FLZ. Based on spectral data obtained from 2D ROESY, a reasonable geometry for the complex could be proposed implicating the insertion of the <it>m</it>-difluorophenyl ring of FLZ into the wide end of the torus cavity of β-CD. Molecular modelling studies were conducted to further interpret the NMR data. Indeed the best docked complex in terms of binding free energy supports the model proposed from NMR experiments and the <it>m</it>-difluorophenyl ring of FLZ is observed to enter into the torus cavity of β-CD from the wider end.</p> <p>Conclusion</p> <p>Various NMR spectroscopic studies of FLZ in the presence of β-CD in D₂O at room temperature confirmed the formation of a 1:1 (FLZ:β-CD) inclusion complex in which <it>m</it>-difluorophenyl ring acts as guest. The induced shift changes as well as splitting of most of the signals of FLZ in the presence of β-CD suggest some chiral differentiation of guest by β-CD.</p

Expansion in perfect groups

Let Ga be a subgroup of GL_d(Q) generated by a finite symmetric set S. For an integer q, denote by Ga_q the subgroup of Ga consisting of the elements that project to the unit element mod q. We prove that the Cayley graphs of Ga/Ga_q with respect to the generating set S form a family of expanders when q ranges over square-free integers with large prime divisors if and only if the connected component of the Zariski-closure of Ga is perfect.Comment: 62 pages, no figures, revision based on referee's comments: new ideas are explained in more details in the introduction, typos corrected, results and proofs unchange