Search results for "Topology"
showing 10 items of 2892 documents
Synthesis and properties of an Au6 cluster supported by a mixed N-heterocyclic carbene–thiolate ligand
2020
The preparation of a novel Au6 cluster bearing a bidentate mixed carbene–thiolate ligand is presented. The length of linker between the central benzimidazole and thiolate has a strong effect on the formation of cluster products, with a C2 chain giving an Au6 cluster, while a C3 chain results in no evidence of cluster formation. Density functional theory analysis predicts a non-metallic cluster with a large HOMO–LUMO (3.2–3.6 eV) and optical gap.
Trial Methods for Nonlinear Bernoulli Problem
1997
In this article we consider a free boundary problem which is related to formation of waves on a fluid surface (for example the ship waves). We study the possibility to construct ‘trial’ methods where one solves a sequence of standard flow problems formulated in different geometries that converge to the final free boundary. Furthermore, we use the shape optimization techniques to analyse the convergence of the fixed point iteration near a fixed point. For stream function case we conclude that the fast convergence can be obtained by using non-standard boundary conditions and we present numerical results to confirm the analysis.
Finite Size Effects in Thin Film Simulations
2003
Phase transitions in thin films are discussed, with an emphasis on Ising-type systems (liquid-gas transition in slit-like pores, unmixing transition in thin films, orderdisorder transitions on thin magnetic films, etc.) The typical simulation geometry then is a L xL x D system, where at the low confining L x L surfaces appropriate boundary “fields” are applied, while in the lateral directions periodic boundary conditions are used. In the z-direction normal to the film, the order parameter always is inhomogeneous, due to the boundary “fields” at the confining surfaces. When one varies the temperature T from the region of the bulk disordered phase to a temperature below the critical temperatu…
Monte carlo studies of phase transitions in polymer blends and block copolymer melts
1994
The unmixing transition of both symmetrical polymer blends AB (i.e. chain lengthsNA=NB=N) and asymmetrical ones (NB/NA=2,3) is studied by large-scale Monte Carlo simulations of the bond fluctuation model. Combination of semi-grand-canonical simulation techniques, «histogram reweighting» and finitesize scaling allows an accurate location of the coexistence curve in the critical region. The variation of the critical temperature with chain length (N) is studied and compared to theoretical predictions. For the symmetrical case, use of chain lengths up toN=512 allows a rough estimation of crossover scaling functions for the crossover from Ising to mean-field exponents. The order-disorder transit…
A Coclustering Approach for Mining Large Protein-Protein Interaction Networks
2012
Several approaches have been presented in the literature to cluster Protein-Protein Interaction (PPI) networks. They can be grouped in two main categories: those allowing a protein to participate in different clusters and those generating only nonoverlapping clusters. In both cases, a challenging task is to find a suitable compromise between the biological relevance of the results and a comprehensive coverage of the analyzed networks. Indeed, methods returning high accurate results are often able to cover only small parts of the input PPI network, especially when low-characterized networks are considered. We present a coclustering-based technique able to generate both overlapping and nonove…
A photoswitchable helical peptide with light-controllable interface/transmembrane topology in lipidic membranes
2021
Summary The spontaneous insertion of helical transmembrane (TM) polypeptides into lipid bilayers is driven by three sequential equilibria: solution-to-membrane interface (MI) partition, unstructured-to-helical folding, and MI-to-TM helix insertion. A bottleneck for understanding these three steps is the lack of experimental approaches to perturb membrane-bound hydrophobic polypeptides out of equilibrium rapidly and reversibly. Here, we report on a 24-residues-long hydrophobic α-helical polypeptide, covalently coupled to an azobenzene photoswitch (KCALP-azo), which displays a light-controllable TM/MI equilibrium in hydrated lipid bilayers. FTIR spectroscopy reveals that trans KCALP-azo folds…
Membrane topology of gp41 and amyloid precursor protein: Interfering transmembrane interactions as potential targets for HIV and Alzheimer treatment
2009
AbstractThe amyloid precursor protein (APP), that plays a critical role in the development of senile plaques in Alzheimer disease (AD), and the gp41 envelope protein of the human immunodeficiency virus (HIV), the causative agent of the acquired immunodeficiency syndrome (AIDS), are single-spanning type-1 transmembrane (TM) glycoproteins with the ability to form homo-oligomers. In this review we describe similarities, both in structural terms and sequence determinants of their TM and juxtamembrane regions. The TM domains are essential not only for anchoring the proteins in membranes but also have functional roles. Both TM segments contain GxxxG motifs that drive TM associations within the li…
Insertion and Topology of a Plant Viral Movement Protein in the Endoplasmic Reticulum Membrane
2002
Virus-encoded movement proteins (MPs) mediate cell-to-cell spread of viral RNA through plant membranous intercellular connections, the plasmodesmata. The molecular pathway by which MPs interact with viral genomes and target plasmodesmata channels is largely unknown. The 9-kDa MP from carnation mottle carmovirus (CarMV) contains two potential transmembrane domains. To explore the possibility that this protein is in fact an intrinsic membrane protein, we have investigated its insertion into the endoplasmic reticulum membrane. By using in vitro translation in the presence of dog pancreas microsomes, we demonstrate that CarMV p9 inserts into the endoplasmic reticulum without the aid of any addi…
Experimental study of electrical FitzHugh-Nagumo neurons with modified excitability
2006
International audience; We present an electronical circuit modelling a FitzHugh-Nagumo neuron with a modified excitability. To characterize this basic cell, the bifurcation curves between stability with excitation threshold, bistability and oscillations are investigated. An electrical circuit is then proposed to realize a unidirectional coupling between two cells, mimicking an inter-neuron synaptic coupling. In such a master-slave configuration, we show experimentally how the coupling strength controls the dynamics of the slave neuron, leading to frequency locking, chaotic behavior and synchronization. These phenomena are then studied by phase map analysis. The architecture of a possible ne…
Excision technique in constrained formulations of Einstein equations: collapse scenario
2015
We present a new excision technique used in constrained formulations of Einstein equations to deal with black hole in numerical simulations. We show the applicability of this scheme in several scenarios. In particular, we present the dynamical evolution of the collapse of a neutron star to a black hole, using the CoCoNuT code and this excision technique.