Effective Equations of Motion for Quantum Systems

In many situations, one can approximate the behavior of a quantum system, i.e. a wave function subject to a partial differential equation, by effective classical equations which are ordinary differential equations. A general method and geometrical picture is developed and shown to agree with effective action results, commonly derived through path integration, for perturbations around a harmonic oscillator ground state. The same methods are used to describe dynamical coherent states, which in turn provide means to compute quantum corrections to the symplectic structure of an effective system.Comment: 31 pages; v2: a new example, new reference

2D Coordination Polymers Based on Isoquinoline-5-Carboxylate and Cu(II)

By combining isoquinoline-5-carboxilic acid with Cu(II) ions under several different conditions, we were able to obtain novel metallorganic materials, among which two 2D coordination polymers, CP 1 and CP 2 which were also characterized by SC-XRD. Ratio of solvents (EtOH : DMF) in the mixture employed during their synthesis has a marked effect in selecting the formation of one species or the other, which basically differ in the coordination at the Cu(II) center due to k1/k2 denticity of the carboxylate ligands.Two 2D coordination polymers which exclusively form depending on DMF : EtOH solvent mixture, fully characterized by SC-XRD, are among the novel materials formed by the combination of Cu(II) with isoquinoline-5-carboxylate ligand described here.imag

Coherent States Expectation Values as Semiclassical Trajectories

We study the time evolution of the expectation value of the anharmonic oscillator coordinate in a coherent state as a toy model for understanding the semiclassical solutions in quantum field theory. By using the deformation quantization techniques, we show that the coherent state expectation value can be expanded in powers of $\hbar$ such that the zeroth-order term is a classical solution while the first-order correction is given as a phase-space Laplacian acting on the classical solution. This is then compared to the effective action solution for the one-dimensional \f^4 perturbative quantum field theory. We find an agreement up to the order \l\hbar, where \l is the coupling constant, while at the order \l^2 \hbar there is a disagreement. Hence the coherent state expectation values define an alternative semiclassical dynamics to that of the effective action. The coherent state semiclassical trajectories are exactly computable and they can coincide with the effective action trajectories in the case of two-dimensional integrable field theories.Comment: 20 pages, no figure

2-Iodo-imidazolium receptor binds oxoanions via charge-assisted halogen bonding.

A detailed (1)H-NMR study of the anion binding properties of the 2-iodo-imidazolium receptor 1 in DMSO allows to fully attribute the observed affinities to strong charge-assisted C-IX(-) halogen bonding (XB). Stronger binding was observed for oxoanions over halides. Phosphate, in particular, binds to 1 with an association constant of ca. 10(3) M(-1), which is particularly high for a single X-bond. A remarkably short C-IO(-) contact is observed in the structure of the salt 1·H(2)PO(4)(-)

Spatio-temporal anomalous diffusion in heterogeneous media by NMR

For the first time, the diffusion phase diagram in highly confined colloidal systems, predicted by Continuous Time Random Walk (CTRW), is experimentally obtained. Temporal and spatial fractional exponents, $\alpha$ and $\mu$, introduced within the framework of CTRW, are simultaneously measured by Pulse Field Gradient Nuclear Magnetic Resonance technique in samples of micro-beads dispersed in water. We find that $\alpha$ depends on the disorder degree of the system. Conversely, $\mu$ depends on both bead sizes and magnetic susceptibility differences within samples. Our findings fully match the CTRW predictions.Comment: 5 pages, 4 figures, submitted to Phys. Rev. Let

Closed Path Integrals and Renormalisation in Quantum Mechanics

We suggest a closed form expression for the path integral of quantum transition amplitudes. We introduce a quantum action with renormalized parameters. We present numerical results for the $V \sim x^{4}$ potential. The renormalized action is relevant for quantum chaos and quantum instantons.Comment: Revised text, 1 figure added; Text (LaTeX file), 1 Figure (ps file

Quantum breaking time near classical equilibrium points

By using numerical and semiclassical methods, we evaluate the quantum breaking, or Ehrenfest time for a wave packet localized around classical equilibrium points of autonomous one-dimensional systems with polynomial potentials. We find that the Ehrenfest time diverges logarithmically with the inverse of the Planck constant whenever the equilibrium point is exponentially unstable. For stable equilibrium points, we have a power law divergence with exponent determined by the degree of the potential near the equilibrium point.Comment: 4 pages, 5 figure

L-DOPA preloading increases the uptake of borophenylalanine in C6 glioma rat model: a new strategy to improve BNCT efficacy.

Purpose: Boron neutron capture therapy (BNCT) is a radiotherapeutic modality based on 10B(n,a)7Li reaction, for the treatment of malignant gliomas. One of the main limitations for BNCT effectiveness is the insufficient intake of 10B nuclei in the tumor cells. This work was aimed at investigating the use of L-DOPA as a putative enhancer for 10B-drug 4-dihydroxy-borylphenylalanine (BPA) uptake in the C6-glioma model. The investigation was first per- formed in vitro and then extended to the animal model. Methods and Materials: BPA accumulation in C6-glioma cells was assessed using radiowave dielectric spectros- copy, with and without L-DOPA preloading. Two L-DOPA incubation times (2 and 4 hours) were investigated, and the corresponding effects on BPA accumulation were quantified. C6-glioma cells were also implanted in the brain of 32 rats, and tumor growth was monitored by magnetic resonance imaging. Rats were assigned to two experimental branches: (1) BPA administration; (2) BPA administration after pretreatment with L-DOPA. All an- imals were sacrificed, and assessments of BPA concentrations in tumor tissue, normal brain, and blood samples were performed using high-performance liquid chromatography. Results: L-DOPA preloading induced a massive increase of BPA concentration in C6-glioma cells only after a 4-hour incubation. In the animal model, L-DOPA pretreatment produced a significantly higher accumulation of BPA in tumor tissue but not in normal brain and blood samples. Conclusions: This study suggests the potential use of L-DOPA as enhancer for BPA accumulation in malig- nant gliomas eligible for BNCT. L-DOPA preloading effect is discussed in terms of membrane transport mechanisms

Spatio-temporal anomalous diffusion in heterogeneous media by nuclear magnetic resonance

In this paper, we describe nuclear magnetic resonance measurements of water diffusion in highly confined and heterogeneous colloidal systems using an anomalous diffusion model. For the first time, temporal and spatial fractional exponents, α and μ, introduced within the framework of continuous time random walk, are simultaneously measured by pulsed gradient spin-echo NMR technique in samples of micro-beads dispersed in aqueous solution. In order to mimic media with low and high level of disorder, mono-dispersed and poly-dispersed samples are used. We find that the exponent α depends on the disorder degree of the system. Conversely, the exponent μ depends on both bead sizes and magnetic susceptibility differences within samples. The new procedure proposed here may be a useful tool to probe porous materials and microstructural features of biological tissue

Terahertz underdamped vibrational motion governs protein-ligand binding in solution

Low-frequency collective vibrational modes in proteins have been proposed as being responsible for efficiently directing biochemical reactions and biological energy transport. However, evidence of the existence of delocalized vibrational modes is scarce and proof of their involvement in biological function absent. Here we apply extremely sensitive femtosecond optical Kerr-effect spectroscopy to study the depolarized Raman spectra of lysozyme and its complex with the inhibitor triacetylchitotriose in solution. Underdamped delocalized vibrational modes in the terahertz frequency domain are identified and shown to blue-shift and strengthen upon inhibitor binding. This demonstrates that the ligand-binding coordinate in proteins is underdamped and not simply solvent-controlled as previously assumed. The presence of such underdamped delocalized modes in proteins may have significant implications for the understanding of the efficiency of ligand binding and protein–molecule interactions, and has wider implications for biochemical reactivity and biological function