Accurate Determination of Conformational Transitions in Oligomeric Membrane Proteins

The structural dynamics governing collective motions in oligomeric membrane proteins play key roles in vital biomolecular processes at cellular membranes. In this study, we present a structural refinement approach that combines solid-state NMR experiments and molecular simulations to accurately describe concerted conformational transitions identifying the overall structural, dynamical, and topological states of oligomeric membrane proteins. The accuracy of the structural ensembles generated with this method is shown to reach the statistical error limit, and is further demonstrated by correctly reproducing orthogonal NMR data. We demonstrate the accuracy of this approach by characterising the pentameric state of phospholamban, a key player in the regulation of calcium uptake in the sarcoplasmic reticulum, and by probing its dynamical activation upon phosphorylation. Our results underline the importance of using an ensemble approach to characterise the conformational transitions that are often responsible for the biological function of oligomeric membrane protein states

A nonparametric approach for model individualization in an artificial pancreas

The identification of patient-tailored linear time invariant glucose-insulin models is investigated for type 1 diabetic patients, that are characterized by a substantial inter-subject variability. The individualized linear models are identified by considering a novel kernel-based nonparametric approach and are compared with a linear time invariant average model in terms of prediction performance by means of the coefficient of determination, fit, positive and negative max errors, and root mean squared error. Model identification and validation are based on in-silico data collected from the adult virtual population of the UVA/Padova simulator. The data generation involves a protocol designed to produce a sufficient input excitation without compromising patient safety, compatible also with real life scenarios. The identified models are exploited to synthesize an individualized Model Predictive Controller (MPC) for each patient, which is used in an Artificial Pancreas to maintain the blood glucose concentration within an euglycemic range. The MPC used in several clinical studies, synthesized on the basis of a non-individualized average linear time invariant model, is also considered as reference. The closed-loop control performance is evaluated in an in-silico study on the adult virtual population of the UVA/Padova simulator in a perturbed scenario, in which the MPC is blind to random variations of insulin sensitivity in each virtual patient. © 2015, IFAC (International Federation of Automatic Control) Hosting by Elsevier Ltd. All rights reserved

Accuracy of a teleported trapped field state inside a single bimodal cavity

We propose a simplified scheme to teleport a superposition of coherent states from one mode to another of the same bimodal lossy cavity. Based on current experimental capabilities, we present a calculation of the fidelity that can be achieved, demonstrating accurate teleportation if the mean photon number of each mode is at most 1.5. Our scheme applies as well for teleportation of coherent states from one mode of a cavity to another mode of a second cavity, both cavities embedded in a common reservoir.Comment: 4 pages, 2 figures, in appreciation for publication in Physical Review

Mesoscopic continuous and discrete channels for quantum information transfer

We study the possibility of realizing perfect quantum state transfer in mesoscopic devices. We discuss the case of the Fano-Anderson model extended to two impurities. For a channel with an infinite number of degrees of freedom, we obtain coherent behavior in the case of strong coupling or in weak coupling off-resonance. For a finite number of degrees of freedom, coherent behavior is associated to weak coupling and resonance conditions

Theory of continuum percolation II. Mean field theory

I use a previously introduced mapping between the continuum percolation model and the Potts fluid to derive a mean field theory of continuum percolation systems. This is done by introducing a new variational principle, the basis of which has to be taken, for now, as heuristic. The critical exponents obtained are $\beta= 1$, $\gamma= 1$ and $\nu = 0.5$, which are identical with the mean field exponents of lattice percolation. The critical density in this approximation is \rho_c = 1/\ve where \ve = \int d \x \, p(\x) \{ \exp [- v(\x)/kT] - 1 \}. p(\x) is the binding probability of two particles separated by \x and v(\x) is their interaction potential.Comment: 25 pages, Late

Nonequilibrium critical scaling from quantum thermodynamics

The emerging field of quantum thermodynamics is contributing important results and insights into archetypal many-body problems, including quantum phase transitions. Still, the question whether out-of-equilibrium quantities, such as fluctuations of work, exhibit critical scaling after a sudden quench in a closed system has remained elusive. Here, we take a novel approach to the problem by studying a quench across an impurity quantum critical point. By performing density matrix renormalization group computations on the two-impurity Kondo model, we are able to establish that the irreversible work produced in a quench exhibits finite-size scaling at quantum criticality. This scaling faithfully predicts the equilibrium critical exponents for the crossover length and the order parameter of the model, and, moreover, implies a new exponent for the rescaled irreversible work. By connecting the irreversible work to the two-impurity spin correlation function, our findings can be tested experimentally.Comment: 6 pages, 4 figure