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A low resolution model for the interaction of G proteins with G protein-coupled receptors.

A model is presented for the interaction between G proteins and G protein-coupled receptors. The model is based on the fact that this interaction shows little specificity and thus conserved parts of the G proteins have to interact with conserved parts of the receptors. These parts are a conserved negative residue in the G protein, a fully conserved arginine in the receptor and a series of residues that are not conserved but always hydrophobic like the hydrophobic side of the C-terminal helix of the G protein and the hydrophobic side of a helix in the C-terminal domain of the receptor. Other, mainly cytosolic, factors determine the specificity and regulation of this interaction. The relation between binding and activation will be shown. A large body of experimental evidence supports this model. Despite the fact that the model does not provide atomic resolution, it can be used to explain some experimental data that would otherwise seem inexplicable, and it suggests experiments for its falsification or verification.

Amino Acid Sequence↗

An analytical solution for coupled leaf photosynthesis and stomatal conductance models.

Iterative solutions of coupled leaf photosynthesis and stomatal conductance equations sometimes yield bifurcated or chaotic solutions. An analytical solution for coupled leaf photosynthesis-stomatal conductance equations is preferred because an analytical model has specific and known roots, and partial derivatives can be taken to perform sensitivity analyses. I present an analytical solution for coupled leaf photosynthesis and stomatal conductance equations that are based on established biochemical and physiological theory.

Journal Article↗

Hopfield model with self-coupling.

We have studied analytically the retrieval performance of a Hopfield model in the presence of self-coupling in the synaptic matrix. We find, contrary to expectations from some earlier studies based on the counting of fixed points, that negative self-coupling causes deterioration in the retrieval performance of the network. On the other hand, it is possible to enhance the retrieval performance by having a positive self-coupling of appropriate magnitude.

Biophysical Phenomena↗

Double-inhibitor and uncoupler-inhibitor titrations. 1. Analysis with a linear model of chemiosmotic energy coupling.

The results of double-inhibitor and uncoupler-inhibitor titrations have been simulated and analyzed with a linear model of delocalized protonic coupling using linear nonequilibrium thermodynamics. A detailed analysis of the changes of the intermediate delta muH induced by different combinations of inhibitors of the proton pumps has been performed. It is shown that with linear flow-force relationships the published experimental results of uncoupler-inhibitor titrations are not necessarily inconsistent with, and those of double-inhibitor titrations are inconsistent with, a delocalized chemiosmotic model of energy coupling in the presence of a negligible leak. Also shown and discussed are how the results are affected by a nonnegligible leak and to what extent the shape of the titration curves can be used to discriminate between localized and delocalized mechanisms of energy coupling.

Adenosine Triphosphatases↗

Development of a coupled metal speciation-fate model for surface aquatic systems.

A coupled metal transport and speciation model (TRANSPEC) has been developed for surface aquatic systems that explicitly considers the influence of metal speciation on fate. The TRANSPEC, which is general to most metal and surface aquatic systems, is constructed by sequentially coupling the speciation/complexation module (in this application MINEQL+) with the fugacity/aquivalence approach for the fate calculations. This model formulation increases the mechanistic detail, predictive power, and fidelity to reality of current fugacity-aquivalence fate models for metals by estimating aqueous speciation and complexation, rather than relying on empirically derived partition coefficients. A pseudo-steady state version of TRANSPEC was used to simulate Zn dynamics in Ross Lake (Flin Flon, MB, Canada) that received elevated metal and organic matter inputs for over 50 years. Field studies revealed that ZnS forms soluble ZnL, Zn2+, and ZnSO4(0) increasing pore water concentrations when surficial sediments turn oxic during fall. The model results for three seasonal scenarios suggest that Zn remobilization is driven by resuspension of insoluble ZnS and the contribution of diffusion is negligible, even during fall when ZnS dissolves to increase the concentration of soluble species under oxic conditions in the sediments. The low diffusive flux is due to the binding of Zn to colloidal dissolved organic matter (DOM) for which sediment-water diffusion is relatively slow, a result that was obtained as a result of considering metal speciation in the fate calculations.

Colloids↗

Dynamics of two electrically coupled chaotic neurons: experimental observations and model analysis.

Conductance-based models of neurons from the lobster stomatogastric ganglion (STG) have been developed to understand the observed chaotic behavior of individual STG neurons. These models identify an additional slow dynamical process calcium exchange and storage in the endoplasmic reticulum as a biologically plausible source for the observed chaos in the oscillations of these cells. In this paper we test these ideas further by exploring the dynamical behavior when two model neurons are coupled by electrical or gap junction connections. We compare in detail the model results to the laboratory measurements of electrically-coupled neurons that we reported earlier. The experiments on the biological neurons varied the strength of the effective coupling by applying a parallel, artificial synapse, which changed both the magnitude and polar-of the conductance between the neurons. We observed a sequence of bifarctions that took the neurons from strongly synchronized in-phase behavior. through uncorrelated chaotic oscillations to strongly synchronized and now regular out-of-phase behavior. The model calculations reproduce these observations quantitatively, indicating that slow subcellular processes could account for the mechanisms involved in the synchronization and regularization of the otherwise individual chaotic activities.

Animals↗

Comparing lesbian and heterosexual couples on the circumplex model: an initial investigation.

This study extends the research on the Circumplex Model to a population of lesbian couples. Instruments consisted of a demographic questionnaire, FACES III, and the Family Satisfaction Scale. Lesbian couples reported significantly higher levels of cohesion, adaptability, and satisfaction than did heterosexual couples. Exceptionally high levels of cohesion and adaptability may help lesbian couples function more successfully in a predominantly heterosexual world. Further, women's socialization may predispose female couples to form more cohesive and adaptable relationships than heterosexual couples. This article also emphasizes the cultural relativity of family norms for studies of lesbian and all minority population couples.

Adaptation, Psychological↗

The feminist/emotionally focused therapy practice model: an integrated approach for couple therapy.

Emotionally focused therapy (EFT) is a well-developed, empirically tested practice model for couple therapy that integrates systems, experiential, and attachment theories. Feminist family therapy theory has provided a critique of biased assumptions about gender at play in traditional family therapy practice and the historical absence of discussions of power in family therapy theory. This article presents an integrated feminist/EFT practice model for use in couple therapy, using a case from practice to illustrate key concepts. Broadly, the integrated model addresses gender roles and individual emotional experience using a systemic framework for understanding couple interaction. The model provides practitioners with a sophisticated, comprehensive, and relevant practice approach for working with the issues and challenges emerging for contemporary heterosexual couples.

Conflict, Psychological↗

Double-inhibitor and uncoupler-inhibitor titrations. 2. Analysis with a nonlinear model of chemiosmotic energy coupling.

The results of double-inhibitor and uncoupler-inhibitor titrations have been simulated and analyzed with a nonlinear model of delocalized protonic coupling obtained by linking two proton pump models of the kind studied by Pietrobon and Caplan [Pietrobon, D., & Caplan, S. R. (1985) Biochemistry 24, 5764-5776] through their common intermediate delta mu H. It is shown that the results predicted by a delocalized chemiosmotic model are highly dependent on the kind of relationships existing between rate of ATP synthesis, Jp, and delta mu H and rate of electron transfer, Je, and delta mu H. With nonlinear flow-force relationships all the results reported so far are not necessarily inconsistent with the delocalized chemiosmotic model provided that the relationships between rates and delta mu H satisfy the following requirements: Jp/delta mu H increases and/or Je/delta mu H decreases as (delta mu H) increases.

Adenosine Triphosphatases↗

Statistical associating fluid theory coupled with restrictive primitive model extended to bivalent ions. SAFT2: 2. Brine/seawater properties predicted.

Statistical associating fluid theory coupled with restricted primitive model (SAFT2) represents the properties of aqueous multiple-salt solutions, such as brine/seawater. The osmotic coefficients, densities, and vapor pressures are predicted without any additional parameters using the salt hydrated diameters obtained for single-salt solutions. For a given ion composition of brine, the predicted vapor pressure, osmotic coefficient, activity of water, and density are found to agree with the experimental data.

Journal Article↗

Residual dipolar couplings and some specific models for motional averaging.

The measurement of residual dipolar couplings (RDCs) from partially oriented molecules is now widely used to provide restraints for NMR structure determination. Bond vibrations, random angular fluctuations around bond vectors and conformational exchange all influence the magnitude of the experimental RDCs. The effect that angular fluctuations have upon the magnitude of RDCs is quantitatively compared using three new models (elliptic, uni-dimensional, and equally populated two site jump) and three established models (static, isotropic motion in a cone and free diffusion about a fixed symmetry axis: Woessner's model) for motional averaging in the limit that the amplitude of motion beta < or = (max)15-20 degrees. The influence of the different motional models on the value of R(obs) determined from the distribution of RDCs is explored. The consequences of the different types of angular motion for the accurate determination of bond vector orientation, with respect to the alignment tensor, A, is investigated. The extent to which motion influences the magnitude of RDCs is compared to some non-dynamic factors affecting RDC size.

Anisotropy↗

Mutual information in coupled multi-shape model for medical image segmentation.

This paper presents extensions which improve the performance of the shape-based deformable active contour model presented earlier in [IEEE Conf. Comput. Vision Pattern Recog. 1 (2001) 463] for medical image segmentation. In contrast to that previous work, the segmentation framework that we present in this paper allows multiple shapes to be segmented simultaneously in a seamless fashion. To achieve this, multiple signed distance functions are employed as the implicit representations of the multiple shape classes within the image. A parametric model for this new representation is derived by applying principal component analysis to the collection of these multiple signed distance functions. By deriving a parametric model in this manner, we obtain a coupling between the multiple shapes within the image and hence effectively capture the co-variations among the different shapes. The parameters of the multi-shape model are then calculated to minimize a single mutual information-based cost criterion for image segmentation. The use of a single cost criterion further enhances the coupling between the multiple shapes as the deformation of any given shape depends, at all times, upon every other shape, regardless of their proximity. We found that this resulting algorithm is able to effectively utilize the co-dependencies among the different shapes to aid in the segmentation process. It is able to capture a wide range of shape variability despite being a parametric shape-model. And finally, the algorithm is robust to large amounts of additive noise. We demonstrate the utility of this segmentation framework by applying it to a medical application: the segmentation of the prostate gland, the rectum, and the internal obturator muscles for MR-guided prostate brachytherapy.

Algorithms↗

Coupled multi-shape model and mutual information for medical image segmentation.

This paper presents extensions which improve the performance of the shape-based deformable active contour model presented earlier in [9]. In contrast to that work, the segmentation framework that we present in this paper allows multiple shapes to be segmented simultaneously in a seamless fashion. To achieve this, multiple signed distance functions are employed as the implicit representations of the multiple shape classes within the image. A parametric model for this new representation is derived by applying principal component analysis to the collection of these multiple signed distance functions. By deriving a parametric model in this manner, we obtain a coupling between the multiple shapes within the image and hence effectively capture the co-variations among the different shapes. The parameters of the multi-shape model are then calculated to minimize a single mutual information-based cost functional for image segmentation. The use of a single cost criterion further enhances the coupling between the multiple shapes as the deformation of any given shape depends, at all times, upon every other shape, regardless of their proximity. We demonstrate the utility of this algorithm to the segmentation of the prostate gland, the rectum, and the internal obturator muscles for MR-guided prostate brachytherapy.

Algorithms↗

Universality of synchrony: critical behavior in a discrete model of stochastic phase-coupled oscillators.

We present the simplest discrete model to date that leads to synchronization of stochastic phase-coupled oscillators. In the mean field limit, the model exhibits a Hopf bifurcation and global oscillatory behavior as coupling crosses a critical value. When coupling between units is strictly local, the model undergoes a continuous phase transition which we characterize numerically using finite-size scaling analysis. In particular, the onset of global synchrony is marked by signatures of the XY universality class, including the appropriate classical exponents beta and nu, a lower critical dimension d(lc) = 2, and an upper critical dimension d(uc) = 4.

Journal Article↗

Relevance of various formulations of phytoplankton chlorophyll a:carbon ratio in a 3D marine ecosystem model.

Numerous experimental studies showed that the phytoplankton Chla-to-Carbon ratio (Chla:C) is highly variable, whereas most of the marine ecosystem models use a constant ratio. In this work, we tested three different formulations for computing the modelled Chla in a 3D coupled hydrodynamical-biogeochemical model of the Southwest lagoon of New Caledonia. The first formulation considers a constant Chla:C ratio. In the second one, Chla is a diagnostic variable related to the variable phytoplankton nitrogen-to-carbon ratio. In the last formulation, Chla is a state variable of the model, which is dynamically simulated. Results showed important differences between the formulations, the first leading to overestimate the Chla concentration in low nutrients conditions. Thus, this study strengthens the importance of the Chla modelling in a coupled model in order to better estimate a crucial variable for validation of ecosystem models.

Animals↗

The problem of predicting global food production.

This paper examines the problem of the development of models capable of predicting the capacity of the global food production system. In particular, it identifies the various factors influencing the food production, and estimates their relative influence and predictability. The paper discusses also the problems connected with coupling of models representing the "driving" forces, the Earth system consisting of the atmosphere, the ocean and land surface, and food production. The overall conclusions drawn are: i) The time is not yet ripe for designing a comprehensive coupled model for predicting the global food production that takes into account all the factors having a significant influence; ii) the main difficulties are the modelling of the driving forces, e.g. socioeconomic and political factors, and iii) despite these problems, it is judged that results obtained with existing models are capable of providing concrete information for implementation of adaptation and mitigation measures.

Atmosphere↗

Pulse-coupled resonate-and-fire models.

We analyze two pulse-coupled resonate-and-fire neurons. Numerical simulation reveals that an antiphase state is an attractor of this model. We can analytically explain the stability of antiphase states by means of a return map of firing times, which we propose in this paper. The resultant stability condition turns out to be quite simple. The phase diagram based on our theory shows that there are two types of antiphase states. One of these cannot be seen in coupled integrate-and-fire models and is peculiar to resonate-and-fire models. The results of our theory coincide with those of numerical simulations.

Action Potentials↗

Numerical modeling of 1D arterial networks coupled with a lumped parameters description of the heart.

The investigations on the pressure wave propagation along the arterial network and its relationships with vascular physiopathologies can be supported nowadays by numerical simulations. One dimensional (1D) mathematical models, based on systems of two partial differential equations for each arterial segment suitably matched at bifurcations, can be simulated with low computational costs and provide useful insights into the role of wave reflections. Some recent works have indeed moved in this direction. The specific contribution of the present paper is to illustrate a 1D numerical model numerically coupled with a model for the heart action. Typically, the action of the heart on the arterial system is modelled as a boundary condition at the entrance of the aorta. However, the left ventricle (LV) and the vascular network are a strongly coupled single mechanical system. This coupling can be relevant in the numerical description of pressure waves propagation, particularly when dealing with pathological situations. In this work, we propose a simple lumped parameter model for the heart and show how it can be coupled numerically with a 1D model for the arteries. Numerical results actually confirm the relevant impact of the heart-arteries coupling in realistic simulations.

Animals↗