Search results for " MODELLI"

Molecular modelling and QSAR in the discovery of HIV-1 integrase inhibitors

2007

The treatment regimens for the HIV-1 have mainly included reverse transcriptase or protease inhibitors but their long-term clinical utility is limited by severe side effects and viral drug resistance. A new attractive target for chemotherapeutic intervention can be the Integrase enzyme, that mediates the integration of HIV-1 DNA into a host chromosome, for which there is no known counterparts in the host cell. A number of derivatives have been found to inhibit IN in in vitro assays, but no successful drug based on them has emerged so far, although many compounds have been proposed. Moreover most of the inhibitors do not belong to a very precise structural class: this fact makes these compou…

QSAR Analysis of Hypoglycemic Agents Using the Topological Indices

2001

The molecular topology model and discriminant analysis have been applied to the prediction of some pharmacological properties of hypoglycemic drugs using multiple regression equations with their statistical parameters. Regression analysis showed that the molecular topology model predicts these properties. The corresponding stability (cross-validation) studies performed on the selected prediction models confirmed the goodness of the fits. The method used for hypoglycemic activity selection was a linear discriminant analysis (LDA). We make use of the pharmacological distribution diagrams (PDDs) as a visualizing technique for the identification and selection of new hypoglycemic agents, and we …

An algebraic approach to the study of multipartite entanglement

2012

A simple algebraic approach to the study of multipartite entanglement for pure states is introduced together with a class of suitable functionals able to detect entanglement. On this basis, some known results are reproduced. Indeed, by investigating the properties of the introduced functionals, it is shown that a subset of such class is strictly connected to the purity. Moreover, a direct and basic solution to the problem of the simultaneous maximization of three appropriate functionals for three-qubit states is provided, confirming that the simultaneous maximization of the entanglement for all possible bipartitions is compatible only with the structure of GHZ-states.

Design of a lambda configuration in artificial coherent nanostructures

2015

The implementation of a three-level Lambda System in artificial atoms would allow to perform advanced control tasks typical of quantum optics in the solid state realm, with photons in the $\mathrm{\mu m}$/mm range. However hardware constraints put an obstacle since protection from decoherence is often conflicting with efficient coupling to external fields. We address the problem of performing conventional STImulated Raman Adiabatic Passage (STIRAP) in the presence of low-frequency noise. We propose two strategies to defeat decoherence, based on "optimal symmetry breaking" and dynamical decoupling. We suggest how to apply to the different implementations of superconducting artificial atoms, …

Quantum phase transitions for an integrable quantum Rabi-like model with two interacting qubits

2022

A two-interacting-qubit quantum Rabi-like model with vanishing transverse fields on the qubit pair is studied. Independently of the coupling regime, this model can be exactly and unitarily reduced to two independent single-spin quantum Rabi models, where the spin-spin coupling plays the role of the transverse field. This transformation and the analytical treatment of the single-spin quantum Rabi model provide the key to prove the integrability of our model. The existence of different first-order quantum phase transitions, characterized by discontinuous two-spin magnetization, mean photon number, and concurrence, is brought to light.

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.

Testing chiral effective theory with quenched lattice QCD

2008

We investigate two-point correlation functions of left-handed currents computed in quenched lattice QCD with the Neuberger-Dirac operator. We consider two lattice spacings a ~ 0.09, 0.12 fm and two different lattice extents L ~ 1.5, 2.0 fm; quark masses span both the p- and the epsilon-regimes. We compare the results with the predictions of quenched chiral perturbation theory, with the purpose of testing to what extent the effective theory reproduces quenched QCD at low energy. In the p-regime we test volume and quark mass dependence of the pseudoscalar decay constant and mass; in the epsilon-regime, we investigate volume and topology dependence of the correlators. While the leading order b…

Quantum identical particle indistinguishability: concepts and applications

2020

Uhlmann curvature in dissipative phase transitions

2018

We study the mean Uhlmann curvature in fermionic systems undergoing a dissipative driven phase transition. We consider a paradigmatic class of lattice fermion systems in non-equilibrium steady-state of an open system with local reservoirs, which are characterised by a Gaussian fermionic steady state. In the thermodynamical limit, in systems with translational invariance we show that a singular behaviour of the Uhlmann curvature represents a sufficient criterion for criticalities, in the sense of diverging correlation length, and it is not otherwise sensitive to the closure of the Liouvillian dissipative gap. In finite size systems, we show that the scaling behaviour of the mean Uhlmann curv…

Low-energy couplings of QCD from current correlators near the chiral limit

2004

We investigate a new numerical procedure to compute fermionic correlation functions at very small quark masses. Large statistical fluctuations, due to the presence of local ``bumps'' in the wave functions associated with the low-lying eigenmodes of the Dirac operator, are reduced by an exact low-mode averaging. To demonstrate the feasibility of the technique, we compute the two-point correlator of the left-handed vector current with Neuberger fermions in the quenched approximation, for lattices with a linear extent of L~1.5 fm, a lattice spacing a~0.09 fm, and quark masses down to the epsilon-regime. By matching the results with the corresponding (quenched) chiral perturbation theory expres…