Pressure Dependence of the Magnetic Anisotropy in the "Single-Molecule Magnet" [Mn4O3Br(OAc)3(dbm)3]

The anisotropy splitting in the ground state of the single-molecule magnet [Mn4O3Br(OAc)3(dbm)3] is studied by inelastic neutron scattering as a function of hydrostatic pressure. This allows a tuning of the anisotropy and thus the energy barrier for slow magnetisation relaxation at low temperatures. The value of the negative axial anisotropy parameter $D_{\rm cluster}$ changes from -0.0627(1) meV at ambient to -0.0603(3) meV at 12 kbar pressure, and in the same pressure range the height of the energy barrier between up and down spins is reduced from 1.260(5) meV to 1.213(9) meV. Since the $\rm Mn-Br$ bond is significantly softer and thus more compressible than the $\rm Mn-O$ bonds, pressure induces a tilt of the single ion Mn$^{3+}$ anisotropy axes, resulting in the net reduction of the axial cluster anisotropy.Comment: 4 pages, 3 figure

Building pondscapes for amphibian metapopulations

The success of ponds constructed to restore ecological infrastructure for pond‐breeding amphibians and benefit aquatic biodiversity depends on where and how they are built. We studied effects of pond and landscape characteristics, including connectivity, on metapopulation dynamics of 12 amphibian species in Switzerland. To understand the determinants of long‐term occupancy (here summarized as incidence), environmental effects on both colonization and persistence should be considered. We fitted dynamic occupancy models to 20 years of monitoring data on a pond construction program to quantify effects of pond and landscape characteristics and different connectivity metrics on colonization and persistence probabilities in constructed ponds. Connectivity to existing populations explained dynamics better than structural connectivity metrics, and simple metrics (distance to the nearest neighbor population, population density) were useful surrogates for dispersal kernel‐weighted metrics commonly used in metapopulation theory. Population connectivity mediated the persistence of conservation target species in new ponds, suggesting source–sink dynamics in newly established populations. Population density captured this effect well and could be used by practitioners for site selection. Ponds created where there were 2–4 occupied ponds within a radius of ∼0.5 km had >3.5 times higher incidence of target species (median) than isolated ponds. Species had individual preferences regarding pond characteristics, but breeding sites with larger (≥100 m$^{2}$) total water surface area, that temporarily dried, and that were in surroundings with maximally 50% forest benefitted multiple target species. Pond diversity will foster amphibian diversity at the landscape scale

Relationships between Obesity, Cardiorespiratory Fitness, and Cardiovascular Function

Background. Obesity and low cardiorespiratory fitness (CRF) have been shown to independently increase the risk of CVD mortality. The aim of this study was to investigate the relationship between CRF, body fatness and markers of arterial function. Method and Results. Obese (9 male, 18 female; BMI 35.3 ± 0.9 kg·m−2) and lean (8 male, 18 female; BMI 22.5 ± 0.3 kg·m−2) volunteers were assessed for body composition (DXA), cardiorespiratory fitness (predicted V˙O2max), blood pressure (BP), endothelial vasodilatator function (FMD), and arterial compliance (AC) (via radial artery tonometry). The obese group had more whole body fat and abdominal fat (43.5 ± 1.2% versus 27.2 ± 1.6%; P < .001 and 48.6 ± 0.9% versus 28.9 ± 1.8%; P < .001, resp.), and lower FMD (3.2 ± 0.4% versus 5.7 ± 0.7%; P < .01) than the lean subjects, but there was no difference in AC. AC in large arteries was positively associated with CRF (R = 0.5; P < .01) but not with fatness. Conclusion. These results indicate distinct influences of obesity and CRF on blood vessel health. FMD was impaired with obesity, which may contribute to arterial and metabolic dysfunction. Low CRF was associated with reduced elasticity in large arteries, which could result in augmentation of aortic afterload

Exchange-coupling constants, spin density map, and Q dependence of the inelastic neutron scattering intensity in single-molecule magnets

The Q dependence of the inelastic neutron scattering (INS) intensity of transitions within the ground-state spin multiplet of single-molecule magnets (SMMs) is considered. For these transitions, the Q dependence is related to the spin density map in the ground state, which in turn is governed by the Heisenberg exchange interactions in the cluster. This provides the possibility to infer the exchange-coupling constants from the Q dependence of the INS transitions within the spin ground state. The potential of this strategy is explored for the M = +-10 -> +- 9 transition within the S = 10 multiplet of the molecule Mn12 as an example. The Q dependence is calculated for powder as well as single-crystal Mn12 samples for various exchange-coupling situations discussed in the literature. The results are compared to literature data on a powder sample of Mn12 and to measurements on an oriented array of about 500 single-crystals of Mn12. The calculated Q dependence exhibits significant variation with the exchange-coupling constants, in particular for a single-crystal sample, but the experimental findings did not permit an unambiguous determination. However, although challenging, suitable experiments are within the reach of today's instruments.Comment: 11 pages, 6 figures, REVTEX4, to appear in PR

Seelische Belastung bei Menschen mit umweltbezogenen Störungen: Ein Vergleich zwischen Selbstbild und Fremdeinschätzung

Zusammenfassung: Umweltbezogene Gesundheitsstörungen stellen wissenschaftlich und klinisch ein diagnostisches und therapeutisches Konfliktfeld dar. Ein hoher subjektiver Leidensdruck, ein somatisches Krankheitsmodell sowie das Festhalten an einer Umweltursache gefährden die therapeutische Beziehung, wenn die Krankheitsmodelle von Arzt und Patient nicht übereinstimmen. Unsere Untersuchung greift diese empirisch noch kaum erforschte Diskrepanz auf, indem sie die Selbsteinschätzung von Patienten mit umweltbezogenen Krankheitsstörungen (n=61) systematisch der Fremdeinschätzung durch ein multidisziplinäres Expertenteam gegenüberstellt. Die Resultate weisen darauf hin, dass in Selbst- und Fremdeinschätzung psychisch unauffällige Probanden wenig psychiatrische Störungen zeigen, über stabile psychische Strukturen verfügen und v.a. unter umweltbedingten oder medizinischen Ursachen leiden. Wenn Selbst- und Fremdeinschätzung beide eine psychische Auffälligkeit beschreiben, sind entsprechend psychiatrische Störungen gehäuft, psychische Strukturen labil, und die Beschwerden werden psychiatrisch verursacht. Divergieren Selbst- und Fremdeinschätzung, erlaubt die Fremdeinschätzung akkuratere Aussagen bezüglich der psychiatrischen Diagnosen, der innerpsychischen Struktur und der Ursachenzuschreibun

Crater formation by fast ions: comparison of experiment with Molecular Dynamics simulations

An incident fast ion in the electronic stopping regime produces a track of excitations which can lead to particle ejection and cratering. Molecular Dynamics simulations of the evolution of the deposited energy were used to study the resulting crater morphology as a function of the excitation density in a cylindrical track for large angle of incidence with respect to the surface normal. Surprisingly, the overall behavior is shown to be similar to that seen in the experimental data for crater formation in polymers. However, the simulations give greater insight into the cratering process. The threshold for crater formation occurs when the excitation density approaches the cohesive energy density, and a crater rim is formed at about six times that energy density. The crater length scales roughly as the square root of the electronic stopping power, and the crater width and depth seem to saturate for the largest energy densities considered here. The number of ejected particles, the sputtering yield, is shown to be much smaller than simple estimates based on crater size unless the full crater morphology is considered. Therefore, crater size can not easily be used to estimate the sputtering yield.Comment: LaTeX, 7 pages, 5 EPS figures. For related figures/movies, see: http://dirac.ms.virginia.edu/~emb3t/craters/craters.html New version uploaded 5/16/01, with minor text changes + new figure

High failure rates of protease inhibitor-based antiretroviral treatment in rural Tanzania - a prospective cohort study

Poor adherence to antiretroviral drugs and viral resistance are the main drivers of treatment failure in HIV-infected patients. In sub-Saharan Africa, avoidance of treatment failure on second-line protease inhibitor therapy is critical as treatment options are limited.; In the prospective observational study of the Kilombero & Ulanga Antiretroviral Cohort in rural Tanzania, we assessed virologic failure (viral load ≥1,000 copies/mL) and drug resistance mutations in bio-banked plasma samples 6-12 months after initiation of a protease inhibitor-based treatment regimen. Additionally, viral load was measured before start of protease inhibitor, a second time between 1-5 years after start, and at suspected treatment failure in patients with available bio-banked samples. We performed resistance testing if viral load was ≥1000 copies/ml. Risk factors for virologic failure were analyzed using logistic regression.; In total, 252 patients were included; of those 56% were female and 21% children. Virologic failure occurred 6-12 months after the start of a protease inhibitor in 26/199 (13.1%) of adults and 7/53 of children (13.2%). The prevalence of virologic failure did not change over time. Nucleoside reverse transcriptase inhibitors drug resistance mutation testing performed at 6-12 months showed a positive signal in only 9/16 adults. No cases of resistance mutations for protease inhibitors were seen at this time. In samples taken between 1-5 years protease inhibitor resistance was demonstrated in 2/7 adults. In adult samples before protease inhibitor start, resistance to nucleoside reverse transcriptase inhibitors was detected in 30/41, and to non-nucleoside reverse-transcriptase inhibitors in 35/41 patients. In 15/16 pediatric samples, resistance to both drug classes but not for protease inhibitors was present.; Our study confirms high early failure rates in adults and children treated with protease inhibitors, even in the absence of protease inhibitors resistance mutations, suggesting an urgent need for adherence support in this setting