Search results for " Integration"

Characterizing cavities in model inclusion molecules: a comparative study

1998

We have selected fullerene-60 and -70 cavities as model systems in order to test several methods for characterizing inclusion molecules. The methods are based on different technical foundations such as a square and triangular tessellation of the molecule taken as a unitary sphere, spherical tessellation of the molecular surface, numerical integration of the atomic volumes and surfaces, triangular tessellation of the molecular surface, and a cubic lattice approach to a molecular space. Accurate measures of the molecular volume and surface area have been performed with the pseudo-random Monte Carlo (MCVS) and uniform Monte Carlo (UMCVS) methods. These calculations serve as a reference for the…

Multiple time step integrators and momentum conservation

1997

Abstract By use of the standard Liouville operator formalism, we derive a new symplectic multiple time step integrator for Hamiltonian systems with disparate masses, which, in contrast to previous algorithms, conserves the total momentum exactly, and is only moderately slower. The new scheme is tested numerically by application to Molecular Dynamics simulations of a polymer melt whose monomers have different masses, and compared to earlier algorithms.

Ideal and physical barrier problems for non-linear systems driven by normal and Poissonian white noise via path integral method

2016

Abstract In this paper, the probability density evolution of Markov processes is analyzed for a class of barrier problems specified in terms of certain boundary conditions. The standard case of computing the probability density of the response is associated with natural boundary conditions, and the first passage problem is associated with absorbing boundaries. In contrast, herein we consider the more general case of partially reflecting boundaries and the effect of these boundaries on the probability density of the response. In fact, both standard cases can be considered special cases of the general problem. We provide solutions by means of the path integral method for half- and single-degr…

Identification of Synaptic Integration Mode in CA3 Pyramidal Neuron Model

2019

International audience; A morphologically realistic and anisotropic model of CA3 pyramidal neuron was developed to determine the synaptic integration modes the neuron is able to perform. Linearity and nonlinearity were identified in different synaptic locations with varying active mechanisms such as the presence of ionic channels in the dendritic arbor and the types of receptors in the synapse. Quantification of synaptic integration was performed using paired-pulse stimulation protocol and subthreshold input/output (sI/O) transformation. Results show that the mode of synaptic integration is location-dependent while the linearity or nonlinearity in the integration is mainly influenced by the…

Students' school performance, task-focus, and situation-specific motivation

2015

Going beyond studies of individual differences in and profiles of students' motivation, we investigated situation-specific (intra-personal) experiences of autonomous (enjoyment, interest, and task choice) and controlled (having to do, and the teacher wanting them to do a task) motivation across learning situations during one week, and how these were related to student characteristics (teacher rated academic performance and task-focus). Three-hundred and fourteen primary school students (Years 5 and 6) completed electronic questionnaires on Personal Digital Assistants, on an average of 11.2 learning episodes during a week. Multilevel Structural Equation Models provided support for a model ba…

2015

We examined the effects of spatial frequency similarity and dissimilarity on human contour integration under various conditions of uncertainty. Participants performed a temporal 2AFC contour detection task. Spatial frequency jitter up to 3.0 octaves was applied either to background elements, or to contour and background elements, or to none of both. Results converge on four major findings. (1) Contours defined by spatial frequency similarity alone are only scarcely visible, suggesting the absence of specialized cortical routines for shape detection based on spatial frequency similarity. (2) When orientation collinearity and spatial frequency similarity are combined along a contour, performa…

What Can International Finance Add to International Strategy?

2011

This chapter focuses on the role of corporate financial strategies to improve firms’ market valuations, and thus lower their cost of capital. The identification of successful strategies is accomplished within an overall strategic framework and related to how the firm perceives the degree of international financial integration. Five strategies for how to break out of a segmented, thin domestic capital market are highlighted together with historical success cases. The chapter illustrates the linkages between business strategy, firm motivation, and various financial strategies. JEL: F21, F23, F36, G32, G34.

Psychosocial adjustment in aggressive popular and aggressive rejected adolescents at school+

2014

AbstractThe purpose of the present study was to compare the profiles of aggressive adolescents who differed in social status in the classroom, popular vs. rejected, with those of adolescents of average sociometric status without documented behavior problems. The characteristics compared related to intra-individual, family, school, and social domains. A sample of 457 adolescents, aged 11 to 18 years old (48% girls), participated in the study. Differences between groups were examined via a series of multivariate analyses of variance and discriminant function analyses. Results indicated that although aggressive popular adolescents revealed more academic involvement and social integration in th…

Dendritic Ih selectively blocks temporal summation of unsynchronized distal inputs in CA1 pyramidal neurons.

2004

The active dendritic conductances shape the input-output properties of many principal neurons in different brain regions, and the various ways in which they regulate neuronal excitability need to be investigated to better understand their functional consequences. Using a realistic model of a hippocampal CA1 pyramidal neuron, we show a major role for the hyperpolarization-activated current, I-h, in regulating the spike probability of a neuron when independent synaptic inputs are activated with different degrees of synchronization and at different distances from the soma. The results allowed us to make the experimentally testable prediction that the I-h in these neurons is needed to reduce ne…

Synergistic targeting of FLT3 mutations in AML via combined menin-MLL and FLT3 inhibition

2020

Abstract The interaction of menin (MEN1) and MLL (MLL1, KMT2A) is a dependency and provides a potential opportunity for treatment of NPM1-mutant (NPM1mut) and MLL-rearranged (MLL-r) leukemias. Concomitant activating driver mutations in the gene encoding the tyrosine kinase FLT3 occur in both leukemias and are particularly common in the NPM1mut subtype. In this study, transcriptional profiling after pharmacological inhibition of the menin-MLL complex revealed specific changes in gene expression, with downregulation of the MEIS1 transcription factor and its transcriptional target gene FLT3 being the most pronounced. Combining menin-MLL inhibition with specific small-molecule kinase inhibitors…