52,112 research outputs found

    View from the bridge: a pseudo-Jahn-Teller approach to transition metal hydrosilane complexes

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    The model complex [Cp(CO)(2)Mn(SiH4)] has been studied by time-dependent DFT methods: hence, it is shown to be unstable with respect to a pseudo-Jahn-Teller distortion which brings an equatorial Si-H moiety into contact with the Mn centre.</p

    Population-level effect of HIV on adult mortality and early evidence of reversal after introduction of antiretroviral therapy in Malawi.

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    BACKGROUND: Malawi, which has about 80,000 deaths from AIDS every year, made free antiretroviral therapy available to more than 80 000 patients between 2004 and 2006. We aimed to investigate mortality in a population before and after the introduction of free antiretroviral therapy, and therefore to assess the effects of such programmes on survival at the population level. METHODS: We used a demographic surveillance system to measure mortality in a population of 32,000 in northern Malawi, from August, 2002, when free antiretroviral therapy was not available in the study district, until February, 2006, 8 months after a clinic opened. Causes of death were established through verbal autopsies (retrospective interviews). Patients who registered for antiretroviral therapy at the clinic were identified and linked to the population under surveillance. Trends in mortality were analysed by age, sex, cause of death, and zone of residence. FINDINGS: Before antiretroviral therapy became available in June, 2005, mortality in adults (aged 15-59 years) was 9.8 deaths for 1000 person-years of observation (95% CI 8.9-10.9). The probability of dying between the ages of 15 and 60 years was 43% (39-49) for men and 43% (38-47) for women; 229 of 352 deaths (65.1%) were attributed to AIDS. 8 months after the clinic that provided antiretroviral therapy opened, 107 adults from the study population had accessed treatment, out of an estimated 334 in need of treatment. Overall mortality in adults had decreased by 10% from 10.2 to 8.7 deaths for 1000 person-years of observation (adjusted rate ratio 0.90, 95% CI 0.70-1.14). Mortality was reduced by 35% (adjusted rate ratio 0.65, 0.46-0.92) in adults near the main road, where mortality before antiretroviral therapy was highest (from 13.2 to 8.5 deaths per 1000 person-years of observation before and after antiretroviral therapy). Mortality in adults aged 60 years or older did not change. INTERPRETATION: Our findings of a reduction in mortality in adults aged between 15 and 59 years, with no change in those older than 60 years, suggests that deaths from AIDS were averted by the rapid scale-up of free antiretroviral therapy in rural Malawi, which led to a decline in adult mortality that was detectable at the population level

    Estimating the need for antiretroviral treatment and an assessment of a simplified HIV/AIDS case definition in rural Malawi.

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    BACKGROUND: Surveillance in the era of antiretroviral therapy (ART) requires estimates of HIV prevalence as well as the proportion eligible for ART. We estimated HIV prevalence and assessed field staging of individuals to estimate the burden of HIV disease needing treatment in rural Malawi. METHODS: Adults aged 18-59 years in a demographic surveillance system were interviewed, examined, and HIV counselled and tested. Staging that used a simplified version of the WHO criteria ('field checklist') was compared with staging by a medical assistant using a 'clinic checklist' and to CD4 cell results. RESULTS: A total of 2129 of 2303 eligible adults (92.4%) were traced, and 2047 (96.1%) participated. Of the 1443 participants (70.5%) tested, 11.6% were HIV positive. ART eligibility classification by the field and clinic checklists were concordant in 122 of 133 HIV-positive individuals. Compared with the clinic checklist, the field checklist had a sensitivity of 50% and a specificity of 96%. Including those already known to be on ART, staging by the field and clinic checklists estimated ART eligibility at 16.3 and 17.7% of HIV-positive individuals, respectively. Using CD4 cell count under 250 cells/mul or WHO stage III/IV, the Malawi national programme criteria, 38% of HIV-positive individuals were eligible for ART, compared with 31% based on the 2006 WHO criteria of CD4 cell count under 200 cells/mul or WHO stage IV or CD4 cell count of 200-350 cells/mul and WHO stage III. CONCLUSION: The field checklist was not a suitable tool for individual staging. Criteria for ART eligibility based on clinical staging alone missed two-thirds of those eligible by clinical staging and CD4 cell count

    Measurement of the ratio of branching fractions B(B0→K∗0γ )/B(B0s→φγ ) and the directCP asymmetry inB 0→K∗0γ

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    The ratio of branching fractions of the radiative B decays B0→K⁎0γ and B0s→ϕγ has been measured using an integrated luminosity of 1.0 fb−1 of pp collision data collected by the LHCb experiment at a centre-of-mass energy of s√=7TeV. The value obtained is B(B0→K⁎0γ)B(B0s→ϕγ)=1.23±0.06(stat.)±0.04(syst.)±0.10(fs/fd), where the first uncertainty is statistical, the second is the experimental systematic uncertainty and the third is associated with the ratio of fragmentation fractions fs/fd. Using the world average value for B(B0→K⁎0γ), the branching fraction B(B0s→ϕγ) is measured to be (3.5±0.4)×10−5. The direct CP asymmetry in B0→K⁎0γ decays has also been measured with the same data and found to be ACP(B0→K⁎0γ)=(0.8±1.7(stat.)±0.9(syst.))%. Both measurements are the most precise to date and are in agreement with the previous experimental results and theoretical expectations

    Dispelling the Myths Behind First-author Citation Counts

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    We conducted a full-scale evaluative citation analysis study of scholars in the XML research field to explore just how different from each other author rankings resulting from different citation counting methods actually are, and to demonstrate the capability of emerging data and tools on the Web in supporting more realistic citation counting methods. Our results contest some common arguments for the continued use of first-author citation counts in the evaluation of scholars, such as high correlations between author rankings by first-author citation counts and other citation counting methods, and high costs of using more realistic citation counting methods that are not well-supported by the ISI databases. It is argued that increasingly available digital full text research papers make it possible for citation analysis studies to go beyond what the ISI databases have directly supported and to employ more sophisticated methods

    JAHN-TELLER AND PSEUDO JAHN-TELLER INTERACTIONS IN THE B STATE MANIFOLD OF THE SODIUM TRIMER

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    a^{a} N. Ohashi, M. Tsuura, J.T. Hougen, W.E. Ernst and S. Rakowsky, J. Mol. Spectrosc. 184, 22-34 (1997). b^{b} F. Cocchini, T.H. Upton and W. Andreoni. J. Chem. Phys., Vol. 88, No. 10, 6068-6077 (1988). c^{c} R. Meiswinkel and H. K\""{o}ppel, Chem. Phys. 144, 117-128 (1990).Author Institution: Department of Physics and Chemistry, The Pennsylvania State UniversityThe B state of Na3Na_{3} is the result of the vibronic coupling of a 2E^{2}E' and a 2A1^{2}A'_{1} state. The three states mix by pseudo Jahn-Teller (PJT) and Jahn-Teller (JT) interactions giving rise to three potential surfaces the lowest of which allows for free pseudorotational motion of the Na nuclei. Energy levels in the corresponding lowest vibronic states are well described by a new model HamiltonianaHamiltonian^{a} which includes rotation and pseudorotation. In this talk, we link experimentally determined molecular parameters from the Ohashi-Hougen Hamiltonian to the potential surface picture used by molecular dynamics theoristsb,ctheorists^{b,c}. Of particular interest is the potential barrier to the pseudorotation which lies well below the lowest vibronic state. This small barrier can be caused by PJT or JT interaction or by a combination of both. The Hamiltonian parameter corresponding to the effective barrier height has been well determined from our analysis of high resolution spectra. Measured barrier parameters for different vibronic states allow to distinguish the influences of JT and PJT coupling on the shape of the barrier. Our study suggests that the lowest potential surface is dominated by linear PJT interaction with some smaller amount of quadratic PJT and linear JT coupling

    Child mortality in rural Malawi: HIV closes the survival gap between the socio-economic strata

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    As HIV-related deaths increase in a population the usual association between low socioeconomic status and child mortality may change, particularly as death rates from other causes decline.METHODS/PRINCIPAL FINDINGS: As part of a demographic surveillance system in northern Malawi in 2002-6, covering a population of 32,000, information was collected on socio-economic status of the households. Deaths were classified as HIV/AIDS-related or not by verbal autopsy. Poisson regression models were used to assess the association of socio-economic indicators with all-cause mortality, AIDS-mortality and non-AIDS mortality among children. There were 195 deaths in infants, 109 in children aged 1-4 years, and 38 in children aged 5-15. All-cause child mortality in infants and 1-4 year olds was similar in households with higher and lower socio-economic status. In infants 13% of deaths were attributed to AIDS, and there were no clear trends with socio-economic status for AIDS or non-AIDS causes. For 1-4 year olds 27% of deaths were attributed to AIDS. AIDS mortality was higher among those with better built houses, and lowest in those with income from farming and fishing, whereas non-AIDS mortality was higher in those with worse built houses, lowest in those with income from employment, and decreased with increasing household assets.CONCLUSIONS/SIGNIFICANCE: In this population, since HIV infection among adults was initially more common among the less poor, childhood mortality patterns have changed. The usual gap in survival between the poor and the less poor has been lost, but because the less poor have been disproportionately affected by HIV, rather than because of relative improvement in the survival of the poorest

    Nonmagnetic molecular Jahn-Teller Mott insulators

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    Narrow-band conductors may turn insulating and magnetic as a consequence of strong electron-electron correlation. In molecular conductors, the concomitance of a strong Jahn-Teller coupling may give rise to the alternative possibility of a nonmagnetic insulator, with or without a static cooperative Jahn-Teller distortion. In the latter case the insulator has Mott-like properties, with an interesting interplay between electron-electron repulsion and the Jahn-Teller effect, which is dynamical. We study this kind of nonmagnetic insulator in a very simple E circle times e Jahn-Teller model and we discuss its general properties in a more general context, also in connection with the insulating state of K4C60 and Rb4C60
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