The radical SeCl: A theoretical contribution to the characterization of its low-lying electronic states

All doublet and quartet electronic states correlating with the first dissociation channel of SeCl and some Rydberg states are investigated theoretically at the CASSCF/MRCI level of theory using extended basis sets, including the contribution of spin-orbit effects. The similarity of the potential energy curves with those of SeF suggests that spectroscopic constants for the ground (X (2)Pi) and the first excited quartet (a(4)Sigma) of SeCl could also be determined via an emission resulting from the reaction of selenium with atomic chlorine. The coupling constant of the ground state at R-e is estimated as -1610 cm (1). The potential energy curves calculated and the derived spectroscopic constants do not support the interpretation and assignment of the scarce transitions recorded experimentally as due to (2)Pi-(2)Pi emissions. That the few observed lines might arise from transitions from the state b(4)Sigma(-)(1/2) to a very high vibrational level of the state a(4)Sigma(-)(1/2) is an open possibility, however, the number of vibrational states and the calculated Delta G(1/2) differ significantly from the reported ones. (C) 2012 Elsevier B. V. All rights reserved.

Explosive synchronization enhanced by time-delayed coupling

This paper deals with the emergence of explosive synchronization in scale-free networks by considering the Kuramoto model of coupled phase oscillators. The natural frequencies of oscillators are assumed to be correlated with their degrees, and a time delay is included in the system. This assumption allows enhancing the explosive transition to reach a synchronous state. We provide an analytical treatment developed in a star graph, which reproduces results obtained in scale-free networks. Our findings have important implications in understanding the synchronization of complex networks since the time delay is present in most real-world complex systems due to the finite speed of the signal transmission over a distance.

Effects of a CPT-even and Lorentz-violating nonminimal coupling on electron-positron scattering

We propose a new CPT-even and Lorentz-violating nonminimal coupling between fermions and Abelian gauge fields involving the CPT-even tensor (K-F)(mu nu alpha beta) of the standard model extension. We thus investigate its effects on the cross section of the electron-positron scattering by analyzing the process e(+) + e(-) -> mu(+) + mu(-). Such a study was performed for the parity-odd and parity-even nonbirefringent components of the Lorentz-violating (K-F)(mu nu alpha beta) tensor. Finally, by using experimental data available in the literature, we have imposed upper bounds as tight as 10(-12) (eV)(-1) on the magnitude of the CPT-even and Lorentz-violating parameters while nonminimally coupled. DOI: 10.1103/PhysRevD.86.125033

Surgical Performance During Laparoscopic Radical Nephrectomy Is Improved With Training in a Porcine Model

Background and Purpose: Becoming proficient in laparoscopic surgery is dependent on the acquisition of specialized skills that can only be obtained from specific training. This training could be achieved in various ways using inanimate models, animal models, or live patient surgery-each with its own pros and cons. Currently, there are substantial data that support the benefits of animal model training in the initial learning of laparoscopy. Nevertheless, whether these benefits extent themselves to moderately experienced surgeons is uncertain. The purpose of this study was to determine if training using a porcine model results in a quantifiable gain in laparoscopic skills for moderately experienced laparoscopic surgeons. Materials and Methods: Six urologists with some laparoscopic experience were asked to perform a radical nephrectomy weekly for 10 weeks in a porcine model. The procedures were recorded, and surgical performance was assessed by two experienced laparoscopic surgeons using a previously published surgical performance assessment tool. The obtained data were then submitted to statistical analysis. Results: With training, blood loss was reduced approximately 45% when comparing the averages of the first and last surgical procedures (P = 0.006). Depth perception showed an improvement close to 35% (P = 0.041), and dexterity showed an improvement close to 25% (P = 0.011). Total operative time showed trends of improvement, although it was not significant (P = 0.158). Autonomy, efficiency, and tissue handling were the only aspects that did not show any noteworthy change (P = 0.202, P = 0.677, and P = 0.456, respectively). Conclusions: These findings suggest that there are quantifiable gains in laparoscopic skills obtained from training in an animal model. Our results suggest that these benefits also extend to more advanced stages of the learning curve, but it is unclear how far along the learning curve training with animal models provides a clear benefit for the performance of laparoscopic procedures. Future studies are necessary to confirm these findings and better understand the impact of this learning tool on surgical practice.

Strong Coupling Isotropization of Non-Abelian Plasmas Simplified

We study the isotropization of a homogeneous, strongly coupled, non-Abelian plasma by means of its gravity dual. We compare the time evolution of a large number of initially anisotropic states as determined, on the one hand, by the full nonlinear Einstein's equations and, on the other, by the Einstein's equations linearized around the final equilibrium state. The linear approximation works remarkably well even for states that exhibit large anisotropies. For example, it predicts with a 20% accuracy the isotropization time, which is of the order of t(iso) less than or similar to 1/T, with T the final equilibrium temperature. We comment on possible extensions to less symmetric situations.

Coupling collective modes in a trapped superfluid

We consider a superfluid cloud composed of a Bose-Einstein condensate oscillating within a magnetic trap (dipole mode) where, due to the existence of a Feshbach resonance, an effective periodic time-dependent modulation in the scattering length is introduced. Under this condition, collective excitations such as the quadrupole mode can take place. We approach this problem by employing both the Gaussian and the Thomas-Fermi variational Ansatze. The resulting dynamic equations are analyzed by considering both linear approximations and numerical solutions, where we observe coupling between dipole and quadrupole modes. Aspects of this coupling related to the variation of the dipole oscillation amplitude are analyzed. This may be a relevant effect in situations where oscillation in a magnetic field in the presence of a bias field B takes place, and should be considered in the interpretation of experimental results.

Plasmonic Coupling in Er3+:Au Tellurite Glass

In this paper, we report on luminescence and absorbance effects of Er+3:Au-doped tellurite glasses synthesized by a melting-quenching and heat treatment technique. After annealing times of 2.5, 5.0, 7.5, and 10.0 h, at 300 A degrees C, the gold nanoparticles (GNP) effects on the Er+3 are verified from luminescence spectra and the corresponding levels lifetime. The localized surface plasmon resonance around 800 nm produced a maximum fluorescence enhancement for the band ranging from 800 to 840 nm, corresponding to the transitions H-4(11/2) -> aEuro parts per thousand I-4(13/2) (805 nm) and S-4(3/2) -> aEuro parts per thousand I-4(13/2) (840 nm), with annealing time till 7.5 h. The measured lifetime of the levels H-4(11/2) and S-4(3/2) confirmed the lifetime reduction due to the energy transfer from the GNP to Er+3, causing an enhanced photon emission rate in these levels.

Bidirectional Barbed Suture for Bladder Neck Reconstruction, Posterior Reconstruction and Vesicourethral Anastomosis During Robot Assisted Radical Prostatectomy

Background: The urethrovesical anastomosis is a particular challenging step of robot assisted radical prostatectomy (RARP). Failure to achieve a watertight anastomosis is associated with postoperative urinary leak and its consequences, which include paralytic ileus, prolonged catheterization, urinary peritonitis and possibly re-intervention. The bidirectional barbed suture is a new technology that may lead to improve the quality of the urethrovesical anastomosis. Objective: To present our surgical technique of urethrovesical anastomosis, bladder neck reconstruction and posterior reconstruction, using a bidirectional barbed suture. Material and methods: The bladder neck reconstruction, posterior reconstruction and vesicourethral anastomosis were performed using a 2-0 synthetic absorbable bidirectional monofilament barbed suture Results: All cases were finished successfully without major complication or conversion to laparoscopic or open surgery. Conclusion: The authors successfully modified their RARP technique to take advantage of the properties of the bidirectional barbed suture. Comparative studies that evaluate objective outcomes such as leakage rates and operative time are needed to definitely establish the benefits of this device in comparison to the traditional absorbable monofilament. (C) 2011 AEU. Published by Elsevier Espana, S.L. All rights reserved.

4-Organochalcogenoyl-1H-1,2,3-triazoles: synthesis and functionalization by a nickel-catalyzed Negishi cross-coupling reaction

A general method for the synthesis of triazoles containing selenium and tellurium was accomplished via a CuCAAC reaction between organic azides and a terminal triple bond, generated by in situ deprotection of the silyl group. The reaction tolerates alkyl and arylazides, with alkyl and aryl substituents directly bonded to the chalcogen atom. The products were readily functionalized by a nickel-catalyzed Negishi cross-coupling reaction, furnishing the aryl-heteroaryl products at the 4-position in good yields. (C) 2012 Elsevier Ltd. All rights reserved.

Evaluation of the Inductive Coupling between Equivalent Emission Sources of Components

The electromagnetic interference between electronic systems or between their components influences the overall performance. It is important thus to model these interferences in order to optimize the position of the components of an electronic system. In this paper, a methodology to construct the equivalent model of magnetic field sources is proposed. It is based on the multipole expansion, and it represents the radiated emission of generic structures in a spherical reference frame. Experimental results for different kinds of sources are presented illustrating our method.

Coupling Between GABA(A)-R Ligand-Binding Activity and Membrane Organization in beta-Cyclodextrin-Treated Synaptosomal Membranes from Bovine Brain Cortex: New Insights from EPR Experiments

Correlations between GABA(A) receptor (GABA(A)-R) activity and molecular organization of synaptosomal membranes (SM) were studied along the protocol for cholesterol (Cho) extraction with beta-cyclodextrin (beta-CD). The mere pre-incubation (PI) at 37A degrees C accompanying the beta-CD treatment was an underlying source of perturbations increasing [H-3]-FNZ maximal binding (70%) and K (d) (38%), plus a stiffening of SMs' hydrocarbon core region. The latter was inferred from an increased compressibility modulus (K) of SM-derived Langmuir films, a blue-shifted DPH fluorescence emission spectrum and the hysteresis in DPH fluorescence anisotropy (A (DPH)) in SMs submitted to a heating-cooling cycle (4-37-4A degrees C) with A (DPH,heating) < A (DPH,cooling). Compared with PI samples, the beta-CD treatment reduced B (max) by 5% which correlated with a 45%-decrement in the relative Cho content of SM, a decrease in K and in the order parameter in the EPR spectrum of a lipid spin probe labeled at C5 (5-SASL), and significantly increased A (TMA-DPH). PI, but not beta-CD treatment, could affect the binding affinity. EPR spectra of 5-SASL complexes with beta-CD-, SM-partitioned, and free in solution showed that, contrary to what is usually assumed, beta-CD is not completely eliminated from the system through centrifugation washings. It was concluded that beta-CD treatment involves effects of at least three different types of events affecting membrane organization: (a) effect of PI on membrane annealing, (b) effect of residual beta-CD on SM organization, and (c) Cho depletion. Consequently, molecular stiffness increases within the membrane core and decreases near the polar head groups, leading to a net increase in GABA(A)-R density, relative to untreated samples.

Efficient plasmonic coupling between Er3+:(Ag/Au) in tellurite glasses

We report a systematic study of the localized surface plasmon resonance effects on the photoluminescence of Er3+-doped tellurite glasses containing Silver or Gold nanoparticles. The Silver and Gold nanoparticles are obtained by means of reduction of Ag ions (Ag+ -> Ag-0) or Au ions (Au3+ -> Au-0) during the melting process followed by the formation of nanoparticles by heat treatment of the glasses. Absorption and photoluminescence spectra reveal particular features of the interaction between the metallic nanoparticles and Er3+ ions. The photoluminescence enhancement observed is due to dipole coupling of Silver nanoparticles with the I-4(13/2) -> I-4(15/2) Er3+ transition and Gold nanoparticles with the H-2(11/2)-> I-4(13/2) (805 nm) and S-4(3/2) -> I-4(13/2) (840 nm) Er3+ transitions. Such process is achieved via an efficient coupling yielding an energy transfer from the nanoparticles to the Er3+ ions, which is confirmed from the theoretical spectra calculated through the decay rate. Crown Copyright (C) 2011 Published by Elsevier B.V. All rights reserved.

On the Reaction of Lupulones, Hops beta-Acids, with 1-Hydroxyethyl Radical

Lupulones, hops beta-acids, are one of the main constituents of the hops resin and have an important contribution to the overall bacteriostatic activity of hops during beer brewing. The use of lupulones as natural alternatives to antibiotics is increasing in the food industry and also in bioethanol production. However, lupulones are easy oxidizable and have been shown to be very reactive toward 1-hydroxyethyl radical with apparent bimolecular rate constants close to diffusion control k = 2.9 x 10(8) and 2.6 x 10(8) L mol(-1) s(-1) at 25.0 +/- 0.2 degrees C in ethanol water solution (10% of ethanol (v/v)) as probed by EPR and ESI-IT-MS/MS spin-trapping competitive kinetics, respectively. The free energy change for an electron-transfer mechanism is Delta G degrees = 106 kJ/mol as calculated from the oxidation peak potential experimentally determined for lupulones (1.1 V vs NHE) by cyclic voltammetry and the reported reduction potential for 1-hydroxyethyl radical. The major reaction products identified by LC-ESI-IT-MS/MS and ultrahigh-resolution accurate mass spectrometry (orbitrap FT-MS) are hydroxylated lupulone derivatives and 1-hydroxyethyl radical adducts. The lack of pH dependence for the reaction rate constant, the calculated free energy change for electron transfer, and the main reaction products strongly suggest the prenyl side chains at the hops beta-acids as the reaction centers rather than the beta,beta'-triketone moiety.

Rounding of a first-order quantum phase transition to a strong-coupling critical point

We investigate the effects of quenched disorder on first-order quantum phase transitions on the example of the N-color quantum Ashkin-Teller model. By means of a strong-disorder renormalization group, we demonstrate that quenched disorder rounds the first-order quantum phase transition to a continuous one for both weak and strong coupling between the colors. In the strong-coupling case, we find a distinct type of infinite-randomness critical point characterized by additional internal degrees of freedom. We investigate its critical properties in detail and find stronger thermodynamic singularities than in the random transverse field Ising chain. We also discuss the implications for higher spatial dimensions as well as unusual aspects of our renormalization-group scheme. DOI: 10.1103/PhysRevB.86.214204

Computation of (3)J(HH) coupling constants with a combination of density functional theory and semiempirical calculations. Application to complex molecules

This work evaluates the efficiency of economic levels of theory for the prediction of (3)J(HH) spin-spin coupling constants, to be used when robust electronic structure methods are prohibitive. To that purpose, DFT methods like mPW1PW91. B3LYP and PBEPBE were used to obtain coupling constants for a test set whose coupling constants are well known. Satisfactory results were obtained in most of cases, with the mPW1PW91/6-31G(d,p)//B3LYP/6-31G(d,p) leading the set. In a second step. B3LYP was replaced by the semiempirical methods PM6 and RM1 in the geometry optimizations. Coupling constants calculated with these latter structures were at least as good as the ones obtained by pure DFT methods. This is a promising result, because some of the main objectives of computational chemistry - low computational cost and time, allied to high performance and precision - were attained together. (C) 2012 Elsevier B.V. All rights reserved.