Spectroscopically determined potential energy surfaces of the H2O, H2O, and H2O isotopologues of water

Adiabatic potential energy surfaces (PESs) for three major isotopologues of water, H₂¹⁶O, H₂¹⁷O, and H₂¹⁸O, are constructed by fitting to observed vibration-rotation energy levels of the system using the nuclear motion program DVR3D employing an exact kinetic energy operator. Extensive tests show that the mass-dependent ab initio surfaces due to Polyansky et al. [O.L. Polyansky, A.G. Császár, S.V. Shirin, N.F. Zobov, P. Barletta, J. Tennyson, D.W. Schwenke, P.J. Knowles, Science 299 (2003) 539-542.] provide an excellent starting point for the fits. The refinements are performed using a mass-independent morphing function, which smoothly distorts the original adiabatic ab initio PESs. The best overall fit is based on 1788 experimental energy levels with the rotational quantum number J = 0, 2, and 5. It reproduces these levels with a standard deviation of 0.079 cm⁻¹ and gives, when explicit allowance is made for nonadiabatic rotational effects, excellent predictions for levels up to J = 40. Theoretical linelists for all three isotopologues of water involved in the PES construction were calculated up to 26 000 cm⁻¹ with energy levels up to J = 10. These linelists should make an excellent starting point for spectroscopic modelling and analysis.     

Strong coupling in a microcavity LED

Thin films of polyelectrolyte/J aggregate dye bilayers with high absorption coefficient (6 nm thick with alpha approximately equal to 1.0 x 10(6) cm(-1)) inserted in an optical microcavity enable the cavity quantum electrodynamic strong coupling limit to be reached at room temperature with a coupling strength (Rabi splitting) of 265 +/- 15 meV. By embedding these films in a resonant cavity organic LED structure, we demonstrate the first emissive electrically pumped exciton-polariton device.     

Quantum one-time pad in the presence of an eavesdropper

A classical one-time pad allows two parties to send private messages over a public classical channel-an eavesdropper who intercepts the communication learns nothing about the message. A quantum one-time pad is a shared quantum state which allows two parties to send private messages or private quantum states over a public quantum channel. If the eavesdropper intercepts the quantum communication she learns nothing about the message. In the classical case, a one-time pad can be created using shared and partially private correlations. Here we consider the quantum case in the presence of an eavesdropper, and find the single-letter formula for the rate at which the two parties can send messages using a general quantum state as a quantum one-time pad. Surprisingly, the formula coincides with the distillable entanglement assisted by a symmetric channel, an important quantity in quantum information theory, but which lacked a clear operational meaning.     

Conservation laws and stress–energy–momentum tensors for systems with background fields

This article attempts to delineate the roles played by non-dynamical background structures and Killing symmetries in the construction of stress–energy–momentum tensors generated from a diffeomorphism invariant action density. An intrinsic coordinate independent approach puts into perspective a number of spurious arguments that have historically lead to the main contenders, viz the Belinfante–Rosenfeld stress–energy–momentum tensor derived from a Noether current and the Einstein–Hilbert stress–energy–momentum tensor derived in the context of Einstein’s theory of general relativity. Emphasis is placed on the role played by non-dynamical background (phenomenological) structures that discriminate between properties of these tensors particularly in the context of electrodynamics in media. These tensors are used to construct conservation laws in the presence of Killing Lie-symmetric background fields.     

Detection of colorectal metastases in patients being treated with chemotherapy utilising SPIO-MRI: a radiological–pathological study

Objective

Chemotherapy commonly causes liver injury through sinusoidal obstructive syndrome and steatosis. Chemotherapy-induced liver injury may make it more difficult to detect metastases secondary to reduced contrast between the injured liver and metastases. The aim of this study was to determine the sensitivity of superparamagnetic iron oxide (SPIO) contrast-enhanced imaging in patients who have undergone chemotherapy prior to liver surgery.

Methods

Local ethics committee approval was obtained. Thirty-one patients with hepatic metastases completing preoperative chemotherapy were prospectively recruited. Images were reviewed independently by two blinded observers who identified and localized lesions with a four-point confidence scale. The alternative free-response receiver operator characteristic method was used to analyze the results.

Results

The sensitivity in detecting colorectal metastases following chemotherapy was 78% and 76%, respectively, for observers 1 and 2 (95% confidence interval: 71%–85% and 68%–82%). The areas under the alternative free-response receiver operator curves were 0.73 and 0.80 for observers 1 and 2, respectively.

Conclusion

Compared to previously published work on chemotherapy-naïve patients, it is clear that the sensitivity of SPIO-enhanced magnetic resonance imaging (MRI) in detecting colorectal metastases following chemotherapy is reduced. It is therefore critical that all imaging — pre-, during and postchemotherapy — is reviewed when reporting liver MRI prior to surgery.     

The P(φ)2 Green's functions: Smoothness in the coupling constant

The (real-time) Green's functions for the P(φ)₂ quantum field theory are studied. The main result is that they are C^∞ functions of the coupling constant λ, for λ sufficiently small and nonzero. Explicit expressions for the derivatives are obtained.     

T1Effects in Sequential Dynamic Susceptibility Contrast Experiments

Residual effects of an initial bolus of gadolinium contrast agent have been previously demonstrated in sequential dynamic susceptibility contrast MR experiments. While these residual effects quickly reach a saturation steady state, their etiology is uncertain, and they can lead to spurious estimates of hemodynamic parameters in activation experiments. The possible influence ofT₁effects is now investigated with experiments in whichT₁weighting is varied as well as with serial regionalT₁measurements. Little evidence for significant residualT₁effects is found, suggesting instead that susceptibility effects underlie these observations. An initial saturation dose of contrast agent minimizes this effect.     

Gamma ray photon-induced modifications in Triafol-TN and Triafol-BN polymeric track detectors

Photon induced modifications in Triafol-TN and Triafol-BN polymers have been studied in the dose range of 10¹–10⁶ Gy at room temperature using a ⁶⁰Co source. To monitor the chemical and structural changes induced by gamma rays, UV, IR, and ESR studies were carried out. Thermal studies were also conducted for understanding the effects of gamma irradiations on these polymers. Variation of track etching characteristics and activation energy for bulk etching have been studied at different gamma rays doses. The experimental results are presented and discussed.