Search results for "integral"
showing 10 items of 902 documents
Nuclear quantum effects in liquid water from path-integral simulations using anab initioforce-matching approach
2014
We have applied path integral simulations, in combination with new ab initio based water potentials, to investigate nuclear quantum effects in liquid water. Because direct ab initio path integral simulations are computationally expensive, a flexible water model is parameterized by force-matching to density functional theory-based molecular dynamics simulations. The resulting effective potentials provide an inexpensive replacement for direct ab inito molecular dynamics simulations and allow efficient simulation of nuclear quantum effects. Static and dynamic properties of liquid water at ambient conditions are presented and the role of nuclear quantum effects, exchange-correlation functionals…
Activity mediated phase separation: Can we understand phase behavior of the nonequilibrium problem from an equilibrium approach?
2016
We present results for structure and dynamics of mixtures of active and passive particles, from molecular dynamics (MD) simulations and integral equation theory (IET) calculations, for a physically motivated model. The perfectly passive limit of the model corresponds to the phase-separating Asakura-Oosawa model for colloid-polymer mixtures in which, for the present study, the colloids are made self-propelling by introducing activity in accordance with the well known Vicsek model. Such activity facilitates phase separation further, as confirmed by our MD simulations and IET calculations. Depending upon the composition of active and passive particles, the diffusive motion of the active specie…
Expression of a higher plant light-harvesting chlorophyll a/b-binding protein in Synechocystis sp. PCC 6803
1999
A chimeric lhcb gene, coding for Lhcb, a higher plant chlorophyll a/b-binding light-harvesting complex of photosystem II (LHCII), was constructed using the Synechocystis sp. PCC 6803 psbA3 promoter and a modified lhcb gene from pea. This construct drives synthesis of full-length, mature Lhcb under the control of the strong psbA3 promoter that usually drives expression of the D1 protein of photosystem II. This chimeric gene was transformed into a photosystem I-less/chlL(-) Synechocystis sp. PCC 6803 strain that is unable to synthesize chlorophyll in darkness. In the resulting strain, a high level of lhcb transcript was detected and transcript accumulation was enhanced by addition of exogenou…
IM30 triggers membrane fusion in cyanobacteria and chloroplasts
2015
The thylakoid membrane of chloroplasts and cyanobacteria is a unique internal membrane system harbouring the complexes of the photosynthetic electron transfer chain. Despite their apparent importance, little is known about the biogenesis and maintenance of thylakoid membranes. Although membrane fusion events are essential for the formation of thylakoid membranes, proteins involved in membrane fusion have yet to be identified in photosynthetic cells or organelles. Here we show that IM30, a conserved chloroplast and cyanobacterial protein of approximately 30 kDa binds as an oligomeric ring in a well-defined geometry specifically to membranes containing anionic lipids. Triggered by Mg2+, membr…
Gelchromatographische refraktionierung, 1. Ein verfahren zur korrektur von gelchromatogrammen
1979
A mathematical method is proposed for calculating the gel chromatogram w(v0) after correction with the instrument spreading function D(v, v0) and for calculating D(v,v0) using experimental data on the basis, that a gel chromatographic polymer fraction of the chromatogram e(v) is collected and injected again. The chromatogram of this fraction c(v) can be described by the integral equation: where v0 is the elution volume and v1 is the volume at which the fraction is collected. The solution of this equation simultaneously with Tung's equation by way of minimizing is suggested.
A New Approach to the Generalization of Darbo’s Fixed Point Problem by Using Simulation Functions with Application to Integral Equations
2019
We investigate the existence of fixed points of self-mappings via simulation functions and measure of noncompactness. We use different classes of additional functions to get some general contractive inequalities. As an application of our main conclusions, we survey the existence of a solution for a class of integral equations under some new conditions. An example will be given to support our results.
Positivity, complex FIOs, and Toeplitz operators
2018
International audience; We establish a characterization of complex linear canonical transformations that are positive with respect to a pair of strictly plurisubharmonic quadratic weights. As an application, we show that the boundedness of a class of Toeplitz operators on the Bargmann space is implied by the boundedness of their Weyl symbols.
Classification and non-existence results for weak solutions to quasilinear elliptic equations with Neumann or Robin boundary conditions
2021
Abstract We classify positive solutions to a class of quasilinear equations with Neumann or Robin boundary conditions in convex domains. Our main tool is an integral formula involving the trace of some relevant quantities for the problem. Under a suitable condition on the nonlinearity, a relevant consequence of our results is that we can extend to weak solutions a celebrated result obtained for stable solutions by Casten and Holland and by Matano.
On an Inequality for Trigonometric Polynomials In Several Variables
1990
Publisher Summary This chapter presents trigonometric polynomials in n variables. Using the methods of approximation theory, an inequality can be extended to almost periodic functions and to still more general classes of functions as in the case for Bohr's inequality. However, no analogous result exists in the case of two variables. For the solution of problems containing small divisors, the estimate has to be completed by theorems concerning the best approximation of holomorphic functions by trigonometric polynomials in polystrips. The chapter also presents equations to provide an estimate for a differential operator.
Blow-up collocation solutions of nonlinear homogeneous Volterra integral equations
2011
In this paper, collocation methods are used for detecting blow-up solutions of nonlinear homogeneous Volterra-Hammerstein integral equations. To do this, we introduce the concept of "blow-up collocation solution" and analyze numerically some blow-up time estimates using collocation methods in particular examples where previous results about existence and uniqueness can be applied. Finally, we discuss the relationships between necessary conditions for blow-up of collocation solutions and exact solutions.