Room temperature Peierls distortion in small radius nanotubes

By means of {\it ab initio} simulations, we investigate the phonon band structure and electron-phonon coupling in small 4-\AA diameter nanotubes. We show that both the C(5,0) and C(3,3) tubes undergo above room temperature a Peierls transition mediated by an acoustical long-wavelength and an optical $q=2k_F$ phonons respectively. In the armchair geometry, we verify that the electron-phonon coupling parameter $\lambda$ originates mainly from phonons at $q=2k_F$ and is strongly enhanced when the diameter decreases. These results question the origin of superconductivity in small diameter nanotubes.Comment: submitted 21oct2004 accepted 6jan2005 (Phys.Rev.Lett.

Biphenyl Inhibitors of Carbonyl Reductase

Compositions of matter and methods of treating cancer patients may prevent or limit cardiotoxicity during or after chemotherapy, and/or may prevent or lower resistance to anthracycline drugs, both of which are believed to be caused by the human enzyme carbonyl reductase. Thus, the compositions and methods may be used to reduce the dosages of anthracycline anti-cancer drugs necessary to produce a desired cancer-cell-killing performance. Preferred embodiments comprise treating cancer patients with a pharmaceutical composition comprising biphenyl compounds having two halogenated (or pseudo-halogenated) and/or hydroxylated, aryl groups that are linked by a bridging atom. The preferred composition of biphenyl compound(s) may be administered in a pharmaceutical composition also comprising at least one anthracycline compound, or may be administered separately than the at least one anthracycline compound. Especially-preferred biphenyl compounds include triclosan, hexachlorophene, and dichlorophene

Anomalous Aharonov--Bohm gap oscillations in carbon nanotubes

The gap oscillations caused by a magnetic flux penetrating a carbon nanotube represent one of the most spectacular observation of the Aharonov-Bohm effect at the nano--scale. Our understanding of this effect is, however, based on the assumption that the electrons are strictly confined on the tube surface, on trajectories that are not modified by curvature effects. Using an ab-initio approach based on Density Functional Theory we show that this assumption fails at the nano-scale inducing important corrections to the physics of the Aharonov-Bohm effect. Curvature effects and electronic density spilled out of the nanotube surface are shown to break the periodicity of the gap oscillations. We predict the key phenomenological features of this anomalous Aharonov-Bohm effect in semi-conductive and metallic tubes and the existence of a large metallic phase in the low flux regime of Multi-walled nanotubes, also suggesting possible experiments to validate our results.Comment: 7 figure

Ten-year change in sedentary behaviour, moderate-to-vigorous physical activity, cardiorespiratory fitness and cardiometabolic risk: independent associations and mediation analysis.

BACKGROUND: We aimed to study the independent associations of 10-year change in sedentary behaviour (SB), moderate-to-vigorous physical activity (MVPA) and objectively measured cardiorespiratory fitness (CRF), with concurrent change in clustered cardiometabolic risk and its individual components (waist circumference, fasting glucose, high-density lipoprotein (HDL) cholesterol, triglycerides and blood pressure). We also determined whether associations were mediated by change in CRF (for SB and MVPA), waist circumference (for SB, MVPA and CRF) and dietary intake (for SB). METHODS: A population-based sample of 425 adults (age (mean±SD) 55.83±9.40; 65% men) was followed prospectively for 9.62±0.52 years. Participants self-reported SB and MVPA and performed a maximal cycle ergometer test to estimate peak oxygen uptake at baseline (2002-2004) and follow-up (2012-2014). Multiple linear regression and the product of coefficients method were used to examine independent associations and mediation effects, respectively. RESULTS: Greater increase in SB was associated with more detrimental change in clustered cardiometabolic risk, waist circumference, HDL cholesterol and triglycerides, independently of change in MVPA. Greater decrease in MVPA was associated with greater decrease in HDL cholesterol and increase in clustered cardiometabolic risk, waist circumference and fasting glucose, independent of change in SB. Greater decrease in CRF was associated with more detrimental change in clustered cardiometabolic risk and all individual components. Change in CRF mediated the associations of change in SB and MVPA with change in clustered cardiometabolic risk, waist circumference and, only for MVPA, HDL cholesterol. Change in waist circumference mediated the associations between change in CRF and change in clustered cardiometabolic risk, fasting glucose, HDL cholesterol and triglycerides. CONCLUSIONS: A combination of decreasing SB and increasing MVPA, resulting in positive change in CRF, is likely to be most beneficial towards cardiometabolic health.This work was supported by a British Heart Foundation Intermediate Basic Science Research Fellowship to KW (grant number FS/12/58/29709), the UK Medical Research Council (grant number MC_UU_12015/3) to KW, the Research Foundation Flanders (grant number G.0194.11N) and the Flemish Policy Research Centre Sport

STM observation of electronic wave interference effect in finite-sized graphite with dislocation-network structures

Superperiodic patterns near a step edge were observed by STM on several-layer-thick graphite sheets on a highly oriented pyrolitic graphite substrate, where a dislocation network is generated at the interface between the graphite overlayer and the substrate. Triangular- and rhombic-shaped periodic patterns whose periodicities are around 100 nm were observed on the upper terrace near the step edge. In contrast, only outlines of the patterns similar to those on the upper terrace were observed on the lower terrace. On the upper terrace, their geometrical patterns gradually disappeared and became similar to those on the lower terrace without any changes of their periodicity in increasing a bias voltage. By assuming a periodic scattering potential at the interface due to dislocations, the varying corrugation amplitudes of the patterns can be understood as changes in LDOS as a result of the beat of perturbed and unperturbed waves, i.e. the interference in an overlayer. The observed changes in the image depending on an overlayer height and a bias voltage can be explained by the electronic wave interference in the ultra-thin overlayer distorted under the influence of dislocation-network structures.Comment: 8 pages; 6 figures; Paper which a part of cond-mat/0311068 is disscussed in detai

Abstract verification and debugging of constraint logic programs

The technique of Abstract Interpretation [13] has allowed the development of sophisticated program analyses which are provably correct and practical. The semantic approximations produced by such analyses have been traditionally applied to optimization during program compilation. However, recently, novel and promising applications of semantic approximations have been proposed in the more general context of program verification and debugging [3],[10],[7]

A generic framework for context-sensitive analysis of modular programs

Context-sensitive analysis provides information which is potentially more accurate than that provided by context-free analysis. Such information can then be applied in order to validate/debug the program and/or to specialize the program obtaining important improvements. Unfortunately, context-sensitive analysis of modular programs poses important theoretical and practical problems. One solution, used in several proposals, is to resort to context-free analysis. Other proposals do address context-sensitive analysis, but are only applicable when the description domain used satisfies rather restrictive properties. In this paper, we argüe that a general framework for context-sensitive analysis of modular programs, Le., one that allows using all the domains which have proved useful in practice in the non-modular setting, is indeed feasible and very useful. Driven by our experience in the design and implementation of analysis and specialization techniques in the context of CiaoPP, the Ciao system preprocessor, in this paper we discuss a number of design goals for context-sensitive analysis of modular programs as well as the problems which arise in trying to meet these goals. We also provide a high-level description of a framework for analysis of modular programs which does substantially meet these objectives. This framework is generic in that it can be instantiated in different ways in order to adapt to different contexts. Finally, the behavior of the different instantiations w.r.t. the design goals that motivate our work is also discussed

ENSO and interdecadal climate variability over the last century documented by geochemical records of two coral cores from the South West Pacific

The south west Pacific is affected by climatic phenomena such as ENSO (El Ni&#241;o Southern Oscillation) or the PDO (Pacific Decadal Oscillation). Near-monthly resolution calibrations of Sr/Ca, U/Ca and <span style=&quot;font-family: &apos;Symbol, Times New Roman, Times&apos;; font-size: 16px;&quot;>&delta;</span>¹⁸Oc were made on corals taken from New Caledonia and Wallis Island. These geochemical variations could be linked to SST (sea surface temperature) and SSS (sea surface salinity) variations over the last two decades, itselves dependent on ENSO occurrences. On the other hand, near-half-yearly resolution over the last century smoothes seasonal and interannual climate signals, but emphasizes low frequency climate variability

Numerical modelling of transient cyclic vertical loading of suction caissons in sand

This paper presents numerical investigations of the monotonic and cyclic behaviours of suction caissons upon vertical transient loading. Both drained and partially drained conditions are investigated. Monotonic compression and traction simulations are carried out to qualitatively compare results with the literature and validate the model. They highlight the different modes of reaction of the caisson to both compression and traction loading. A sensitivity analysis points out the strong influence of some parameters on the resistance of the caisson but also on the failure mechanism. The transient behaviour of the caisson upon different kinds of cyclic load signals is analysed. Results reproduce the settlement and pore water pressure accumulations observed during experiments. The influence of the key design parameters on the settlement accumulation is also assessed. Finally a cyclic diagram is proposed to describe the evolution of the final settlement upon different magnitudes of loading