Benefits from clinicians and healthcare organisations engaging in research

In Editor’s Choice, Godlee supports and re-emphasises the positive points about National Institute for Health Research (NIHR) clinical research networks that are made in Gulland’s article.1 2 We welcome this support for research networks and for the part they can play in a more fully integrated research and healthcare system. Research engagement by clinicians and healthcare organisations is widely held to improve health services performance. However, we found the issue to be complex in our review conducted for the NIHR Health Services and Delivery Research (HS&DR) Programme in 2012-13.3 Thirty three papers were included in the analysis, and 28 were positive about improved performance, although only seven identified improved outcomes rather than improved processes. Diverse mechanisms contributed to these improvements. In a subsequent article we consider more recent evidence,4 including that UK NHS trusts active in research have lower risk adjusted mortality for acute admissions.5 Increased attention to this issue covers not only clinician participation but also organisational developments in the NIHR and NHS, such as Collaborations for Leadership in Applied Health Research and Care (CLAHRC) and Academic Health Science Networks (AHSNs).6 7 These seek to promote better integration of research and healthcare systems by strengthening research networks, developing research capacity, and ensuring that healthcare organisations (both providers and commissioners) see research as an integral component of their overall structure. Such initiatives need to be linked to further empirical analysis that considers not only the research engagement of all relevant actors but also the organisational determinants of the impact on practice of such engagement

Vitamin K catabolite inhibition of ovariectomy-induced bone loss: Structure–activity relationship considerations

The potential benefit of vitamin K as a therapeutic in osteoporosis is controversial and the vitamin K regimen being used clinically (45 mg/day) employs doses that are many times higher than required to ensure maximal gamma‐carboxylation of the vitamin K‐dependent bone proteins. We therefore tested the hypothesis that vitamin K catabolites, 5‐carbon (CAN5C) and 7‐carbon carboxylic acid (CAN7C) aliphatic side‐chain derivatives of the naphthoquinone moiety exert an osteotrophic role consistent with the treatment of osteoporosis

A Tree-Loop Duality Relation at Two Loops and Beyond

The duality relation between one-loop integrals and phase-space integrals, developed in a previous work, is extended to higher-order loops. The duality relation is realized by a modification of the customary +i0 prescription of the Feynman propagators, which compensates for the absence of the multiple-cut contributions that appear in the Feynman tree theorem. We rederive the duality theorem at one-loop order in a form that is more suitable for its iterative extension to higher-loop orders. We explicitly show its application to two- and three-loop scalar master integrals, and we discuss the structure of the occurring cuts and the ensuing results in detail.Comment: 20 pages. Few typos corrected, some additional comments included, Appendix B and one reference added. Final version as published in JHE

A study of Ar-N₂ supercritical mixtures using neutron scattering, molecular dynamics simulations and quantum mechanical scattering calculations

The microscopic structure of Ar-N₂ supercritical mixtures was obtained using neutron scattering experiments at temperatures between 128.4 - 154.1 K, pressures between 48.7 - 97.8 bar and various mole fractions. Molecular Dynamics simulations (MD) were used to study the thermodynamics, microscopic structure and single molecule dynamics at the same conditions. The agreement between experimental and theoretical results on the intermolecular structure was very good. Furthermore, a new explicitly-correlated coupled cluster potential energy surface was obtained for the Ar-N₂ van der Waals complex. The ab initio potential energy surface (PES) was found in agreement with the MD interaction potential. The global minimum of the ab initio PES Dₑ = 98.66 cm⁻¹ was located at the T-shaped geometry and at the intermolecular equilibrium distance of Rₑ = 7.00a₀. The dissociation energy of the complex was determined to be D₀ = 76.86 cm⁻¹. Quantum mechanical (QM) calculations on the newly obtained PES were used to provide the bound levels of the complex. Finally, integral and differential QM cross sections in Ar + N₂ collisions were calculated at collision energy corresponding to the average temperature of the experiments and at room temperature

Partons and Jets at the LHC

I review some issues related to short distance QCD and its relation to the experimental program of the Large Hadron Collider (LHC) now under construction in Geneva.Comment: Talk at the conference QCD2002 at IIT Kanpur, India, November 2002. Ten pages with 12 figure

Liquid-liquid coexistence in the phase diagram of a fluid confined in fractal porous materials

Multicanonical ensemble sampling simulations have been performed to calculate the phase diagram of a Lennard-Jones fluid embedded in a fractal random matrix generated through diffusion limited cluster aggregation. The study of the system at increasing size and constant porosity shows that the results are independent from the matrix realization but not from the size effects. A gas-liquid transition shifted with respect to bulk is found. On growing the size of the system on the high density side of the gas-liquid coexistence curve it appears a second coexistence region between two liquid phases. These two phases are characterized by a different behaviour of the local density inside the interconnected porous structure at the same temperature and chemical potential.Comment: 5 pages, 4 figures. To be published in Europhys. Letter

Microscopic Structure of Liquid Nitric Oxide

The microscopic structure of nitric oxide is investigated using neutron scattering experiments. The measurements are performed at various temperatures between 120 and 144 K and at pressures between 1.1 and 9 bar. Using the technique of empirical potential structure refinement (EPSR), our results show that the dimer is the main form, around 80%, of nitric oxide in the liquid phase at 120 K, but the degree of dissociation to monomers increases with increasing temperature. The reported degree of dissociation of dimers, and its trend with increasing temperature, is consistent with earlier measurements and studies. It is also shown that nonplanar dimers are not inconsistent with the diffraction data and that the possibility of nitric oxide molecules forming longer oligomers, consisting of bonded nitrogen atoms along the backbone, cannot be ruled out in the liquid. A molecular dynamics simulation is used to compare the present EPSR simulations with an earlier proposed intermolecular potential for the liquid

Efficiency improvements for the numerical computation of NLO corrections

In this paper we discuss techniques, which lead to a significant improvement of the efficiency of the Monte Carlo integration, when one-loop QCD amplitudes are calculated numerically with the help of the subtraction method and contour deformation. The techniques discussed are: holomorphic and non-holomorphic division into sub-channels, optimisation of the integration contour, improvement of the ultraviolet subtraction terms, importance sampling and antithetic variates in loop momentum space, recurrence relations.Comment: 34 pages, version to be publishe

Experimental and modelling evidence for structural crossover in supercritical CO₂

Physics of supercritical state is understood to a much lesser degree compared to subcritical liquids. Carbon dioxide in particular has been intensely studied, yet little is known about the supercritical part of its phase diagram. Here, we combine neutron scattering experiments and molecular dynamics simulations and demonstrate the structural crossover at the Frenkel line. The crossover is seen at pressures as high as 14 times the critical pressure and is evidenced by changes of the main features of the structure factor and pair distribution functions