Search results for "Interaction"
showing 10 items of 5710 documents
An AMI System for User Daily Routine Recognition and Prediction
2014
Ambient Intelligence (AmI) defines a scenario involving people living in a smart environment enriched by pervasive sensory devices with the goal of assisting them in a proactive way to satisfy their needs. In a home scenario, an AmI system controls the environment according to a user’s lifestyle and daily routine. To achieve this goal, one fundamental task is to recognize the user’s activities in order to generate his daily activities profile. In this chapter, we present a simple AMI system for a home scenario to recognize and predict users’ activities. With this predictive capability, it is possible to anticipate their actions and improve their quality of life. Our approach uses a Hidden M…
Effect of host plant quality on male sexual performances and consequences on female reproductive output in a phytophagous moth
2016
The abundance of phytophagous insects is determined by numerous interacting biotic and abiotic factors. In capital-breeding phytophagous insects, larval host plant quality is a key determinant of the adult phenotype and the performance of both males and females. Curiously, if the effect of host plant quality on female reproductive success is well-established, little effort has been conducted to determine this effect on male reproductive success. Moreover, in Lepidoptera, males transfer to females a spermatophore containing sperm and accessory gland products rich in nutrients that could be reinvested into female reproduction. The aim of this thesis was to evaluate how male larval nutrition o…
Ferrochirality: a simple theoretical model of interacting, dynamically invertible, helical polymers, 2. Molecular field approach: supports and the de…
1995
Using a molecular field approach, the effect of interaction between reversibly invertible, helical polymers is investigated theoretically. The helices are modelled by nearest-neighbour statistical thermodynamics. If the interaction energy between two helices of common handedness is lower than that of oppositely handed ones, a critical temperature Tc exists, below which the system spontaneously must leave the racemic state, though there is no contact to any chiral centre or force. This is analogous to the second-order phase transition of ferromagnets. The critical point increases with molecular weight and optical persistence of the helices. At the critical point the system is highly sensitiv…
Theoretical study of excitation transfer from modified B800 rings of the LH II antenna complex of Rps. acidophila
2002
The recently developed configuration interaction exciton model has been applied to study spectral shifts and B800 to B850 energy transfer rates in a series of modified LH2 light harvesting antenna complexes of the purple bacterium Rhodopseudomonas acidophila. Complexes, where the in vivo B800 bacteriochlorophyll a chromophores are exchanged with different tetrapyrroles including chlorophyll a were studied. Absorption spectra of the modified complexes were simulated by using quantum chemical methods to evaluate site and interaction energies and exciton theory to generate the eigenstates of the chromophore assemblies. Four experimental input parameters: the transition moment of Bchl a, the di…
Solvent-induced free energy landscape and solute-solvent dynamic coupling in a multielement solute
1999
AbstractMolecular dynamics simulations using a simple multielement model solute with internal degrees of freedom and accounting for solvent-induced interactions to all orders in explicit water are reported. The potential energy landscape of the solute is flat in vacuo. However, the sole untruncated solvent-induced interactions between apolar (hydrophobic) and charged elements generate a rich landscape of potential of mean force exhibiting typical features of protein landscapes. Despite the simplicity of our solute, the depth of minima in this landscape is not far in size from free energies that stabilize protein conformations. Dynamical coupling between configurational switching of the syst…
PREDICTION OF THERMODYNAMIC INSTABILITIES OF PROTEIN SOLUTIONS FROM SIMPLE PROTEIN-PROTEIN INTERACTIONS
2013
Statistical thermodynamics of protein solutions is often studied in terms of simple, microscopic models of particles interacting via pairwise potentials. Such modelling can reproduce the short range structure of protein solutions at equilibrium and predict thermodynamics instabilities of these systems. We introduce a square well model of effective protein-protein interaction that embeds the solvent's action. We modify an existing model [45] by considering a well depth having an explicit dependence on temperature, i.e. an explicit free energy character, thus encompassing the statistically relevant configurations of solvent molecules around proteins. We choose protein solutions exhibiting dem…
Use of Catalyst in a 3D-QSAR Study of the Interactions between Flavor Compounds and β-Lactoglobulin
2003
This paper reports a 3D-QSAR study using Catalyst software to explain the nature of interactions between flavor compounds and beta-lactoglobulin. A set of 35 compounds, for which dissociation constants were previously determined by affinity chromatography, was chosen. The set was divided into three subsets. An automated hypothesis generation, using HypoGen software, produced a model that made a valuable estimation of affinity and provided an explanation for the lack of correlation previously observed between the hydrophobicity of terpenes and the affinity for the protein. On the basis of these results, it appears that aroma binding to beta-lactoglobulin is caused by both hydrophobic interac…
Determination of the hydrophobicity of organic compounds measured as logPo/w through a new chromatographic method
2009
A new chromatographic method to determine the octanol-water partition coefficient (logP(o/w)) of organic substances is proposed in this paper. This method is based on a previously reported model that relates the retention factor in reversed-phase liquid chromatography with solute (p), mobile phase (P(m)(N)) and stationary phase (P(s)(N)) polarity parameters: logk=(logk)(0)+p(P(m)(N)-P(s)(N)). P(m)(N) values are calculated through expressions that depend only on the organic solvent fraction in the mobile phase. (logk)(0) and P(s)(N) parameters are characteristic of the chromatographic system and are determined from the retention of a selected set of 12 compounds. Then, the p value of a solut…
Event-based criteria in GT-STAF information indices: theory, exploratory diversity analysis and QSPR applications
2012
Versatile event-based approaches for the definition of novel information theory-based indices (IFIs) are presented. An event in this context is the criterion followed in the "discovery" of molecular substructures, which in turn serve as basis for the construction of the generalized incidence and relations frequency matrices, Q and F, respectively. From the resultant F, Shannon's, mutual, conditional and joint entropy-based IFIs are computed. In previous reports, an event named connected subgraphs was presented. The present study is an extension of this notion, in which we introduce other events, namely: terminal paths, vertex path incidence, quantum subgraphs, walks of length k, Sach's subg…
Spin‐Chain‐Star Systems: Entangling Multiple Chains of Spin Qubits
2022
We consider spin-chain-star systems characterized by N-wise many-body interactions between the spins in each chain and the central one. We show that such systems can be exactly mapped into standard spin-star systems through unitary transformations. Such an approach allows the solution of the dynamic problem of an XX$X X$ spin-chain-star model and transparently shows the emergence of quantum correlations in the system, based on the idea of entanglement between chains.