Clarification of the role of protein in carbonmonoxy myoglobin by investigating electronic states

This article reports the proton tautomerization effects of distal histidine residues in carbonmonoxy myoglobin according to the density functional calculations of the whole protein. The electron eigenstates and electrostatic potential (ESP) distributed around heme and its pocket vary significantly depending on the protonation positions of the distal histidine residues. To investigate the range over which the electronic structures are affected by the proton tautomerization, the quantum mechanics/molecular mechanics (QM/MM) method is applied to probe the QM size to reproduce the atomic partial charges and ESP around the active center. Consequently, we show that these properties converged for the 300 pm QM/MM system in this study. During the analysis, we also find that amino residues such as Phe43, Val68, and Phe138 interact strongly with heme through orbital mixing, indicating that the protein is a medium not only interacting with the reaction center, but also buffering on electrons. © 2013 Wiley Periodicals, Inc.     

Positively regular homeomorphisms of Euclidean spaces

A homeomorphism of Rⁿ onto itself is called positively regular (or EC⁺) iff its family of non-negative iterates is pointwise equicontinuous. For EC⁺ homeomorphism of Rⁿ such that some point of Rⁿ has bounded positive semi-orbit, the nucleus M is defined, and the following theorems are proved.Theorem 1. If such a homeomorphism h:Rⁿ→Rⁿ has compact nucleus M, then M is a fully invariant compact AR. Further, for n≠4,5,h:Rⁿ/M→Rⁿ/M is conjugate to a contraction on Rⁿ.Theorem 2. In Rⁿ,n≠4,5,M compact iff there existsa disk D such that h(D)?IntD.Theorem 3. In R², either M is a disk and h|M is a rotation, or h|M is periodic. The relationship between M and the irregular set of ? is also studied.     

A Relation Between Almost Automorphic and Levitan Almost Periodic Points in Compact Minimal Flows

We establish relations between the notions of almost automorphic, Levitan almost periodic and regularly almost periodic points in compact minimal flows for the case of the acting groups whose all continuous characters have syndetic kernels. In particular, we generalize and give a new proof of a theorem by Bronstein.      

Branching Numbers for Euclidean Projections onto Convex Polyhedra

The purpose of this note is to give a short proof of the theorem of Ralph in Linear Algebra Appl. 178 (1993), 249–260, on the geometry of projection maps. This theorem implies that the so-called normal maps derived from projections satisfy a general geometric criterion for bijectivity of piecewise affine maps given by Kuhn and Löwen in Linear Algebra Appl. 96 (Section 5.3), (1987), 109–129. As a consequence, one obtains Robinson's characterization of bijectivity of normal maps.     

Generalized Alexandroff Duplicates and CD 0(K) spaces

We define and investigateCD _Σ,Γ(K, E)-type spaces, which generalizeCD ₀-type Banach lattices introduced in [1]. We state that the space CD _Σ,Γ(K, E) can be represented as the space of E-valued continuous functions on the generalized Alexandroff Duplicate of K. As a corollary we obtain the main result of [6, 8].     

Topological classification of linear hyperbolic cocycles

In this paper linear hyperbolic cocycles are classified by the relation of topological conjugacy. Roughly speaking, two linear cocycles are conjugate if there exists a homeomorphism which maps their trajectories into each other. The problem of classification of discrete-time deterministic hyperbolic dynamical systems was investigated by Robbin (1972). He proved that there exist 4d classes ofd-dimensional deterministic discrete hyperbolic dynamical systems. We obtain a criterion for topological conjugacy of two linear hyperbolic cocycles and show that the number of classes depends crucially on the ergodic properties of the metric dynamical system over which they are defined. Our result is a generalization of the deterministic theorem of Robbin.     

关于Teichmuller空间中一个问题的注记

本文指出了Ara Basmajian在美国数学会出版的“Contemporary Mathematics”第221卷中提出的一个关于Teichmuller空间的问题的答案是完全否定的。     

On the topological equivalence of flows of Brouwer homeomorphisms

We prove that the set of all regular points of a flow of Brouwer homeomorphisms is invariant under topological equivalence of flows. We also show that a similar result holds for the first prolongational limit set.     

Estimation for the Dilatation of the Generalized Beurling-Ahlfors' Extension

51.IntroductionLethbeahomeomorphismontherealaxisR,andsatisfyh(lco)=loo.Wecallaquasisymmetricfunction.lfthereexistsa'constantMsuchthatM-1Sp(x,t)SM,x,teR,(l.2)then(1.2)iscalledtheM-condition-Byvirtueoftheclassicresultofpaper[lj,ifp(x,t)sat-isfiestheM-condition,thenthereexistsaK(M')-quasiconformaIextensiononthel1alfplaneH,whichisthewell-knownBeurling-Ahlfors'extension:ytz)=u(x,y) iv(x,y),whereAfterpaper[lj,manyworkshavebeendoneforestimatingK-Particularly,itshouldbere-markedheretl1atM.Leht…     

A new continuation method for complementarity problems with uniformP-functions

The complementarity problem with a nonlinear continuous mappingf from the nonnegative orthantR ₊ ⁿ ofR ⁿ intoR ⁿ can be written as the system of equationsF(x, y) = 0 and(x, y) R ₊ ²ⁿ , whereF denotes the mapping from the nonnegative orthantR ₊ ²ⁿ ofR ²ⁿ intoR ₊ ⁿ × Rⁿ defined byF(x, y) = (x ₁y₁,,x_ny_n, f₁(x) – y₁,, f_n(x) – y_n) for every(x, y) R ₊ ²ⁿ . Under the assumption thatf is a uniformP-function, this paper establishes that the mappingF is a homeomorphism ofR ₊ ²ⁿ ontoR ₊ ⁿ × Rⁿ. This result provides a theoretical basis for a new continuation method of tracing the solution curve of the one parameter family of systems of equationsF(x, y) = tF(x ⁰, y⁰) and(x, y) R ₊ ²ⁿ from an arbitrary initial point(x ⁰, y⁰) R ₊ ²ⁿ witht = 1 until the parametert attains 0. This approach is an extension of the one used in the polynomially bounded algorithm recently given by Kojima, Mizuno and Yoshise for solving linear complementarity problems with positive semi-definite matrices.