Di-μ-oxido-bis-[(1,4,8,11-tetra-aza-cyclo-tetra-decane-κN,N',N'',N''')dimangan-ese(III,IV)] bis-(tetra-phenyl-borate) chloride acetonitrile disolvate.

The title compound, [Mn(2)O(2)(C(10)H(24)N(4))(2)](C(24)H(20)B)(2)Cl·2CH(3)CN, is a mixed-valent Mn(III)/Mn(IV) oxide-bridged mangan-ese dimer with one chloride and two tetra-phenyl-borate counter-anions. There are two non-coordinated mol-ecules of acetonitrile in the formula unit. A center of inversion is present between the two metal atoms, and, consequently, there is no distinction between Mn(III) and Mn(IV) metal centers. In the Mn(2)O(2) core, the Mn-O distances are 1.817 (3) and 1.821 (3) Å. The cyclam ligand is in the cis configuration. The chloride counter-anion resides on a center of symmetry, whereas the tetra-phenyl-borate counter-anion is in a general position. The cyclam ligand is hydrogen bonded to the acetonitrile as well as to the chloride anion. One of the phenyl rings of the anion and the acetonitrile solvent molecule are each disordered over two sets of sites

Dynamic finite-strain modelling of the human left ventricle in health and disease using an immersed boundary-finite element method

Detailed models of the biomechanics of the heart are important both for developing improved interventions for patients with heart disease and also for patient risk stratification and treatment planning. For instance, stress distributions in the heart affect cardiac remodelling, but such distributions are not presently accessible in patients. Biomechanical models of the heart offer detailed three-dimensional deformation, stress and strain fields that can supplement conventional clinical data. In this work, we introduce dynamic computational models of the human left ventricle (LV) that are derived from clinical imaging data obtained from a healthy subject and from a patient with a myocardial infarction (MI). Both models incorporate a detailed invariant-based orthotropic description of the passive elasticity of the ventricular myocardium along with a detailed biophysical model of active tension generation in the ventricular muscle. These constitutive models are employed within a dynamic simulation framework that accounts for the inertia of the ventricular muscle and the blood that is based on an immersed boundary (IB) method with a finite element description of the structural mechanics. The geometry of the models is based on data obtained non-invasively by cardiac magnetic resonance (CMR). CMR imaging data are also used to estimate the parameters of the passive and active constitutive models, which are determined so that the simulated end-diastolic and end-systolic volumes agree with the corresponding volumes determined from the CMR imaging studies. Using these models, we simulate LV dynamics from end-diastole to end-systole. The results of our simulations are shown to be in good agreement with subject-specific CMR-derived strain measurements and also with earlier clinical studies on human LV strain distributions

A Critique of the Delaware Valley Regional Planning Commission 1985 Regional Transportation Plan

The 1985 Regional Transportation Plan of the Delaware Valley Regional Planning Commission (Plan Report No. 5) is one of the most detailed and informative reports published to date by a transportation planning agency. The Report reflects several advances in urban transportation planning procedures made by DVRPC. Nevertheless, the Report does contain a number of very serious deficiencies. In an attempt to make a constructive contribution to transportation planning in the Delaware Valley Region, the authors of this Critique analyze these deficiencies and propose general and specific improvements for the Transportation Plan

Analysis of selected problems related to transportation of Illinois coal

Project no.: 80.232."December 1982."Bibliography: p. 187-190

An Immersed Boundary method with divergence-free velocity interpolation and force spreading

The Immersed Boundary (IB) method is a mathematical framework for constructing robust numerical methods to study fluid-structure interaction in problems involving an elastic structure immersed in a viscous fluid. The IB formulation uses an Eulerian representation of the fluid and a Lagrangian representation of the structure. The Lagrangian and Eulerian frames are coupled by integral transforms with delta function kernels. The discretized IB equations use approximations to these transforms with regularized delta function kernels to interpolate the fluid velocity to the structure, and to spread structural forces to the fluid. It is well-known that the conventional IB method can suffer from poor volume conservation since the interpolated Lagrangian velocity field is not generally divergence-free, and so this can cause spurious volume changes. In practice, the lack of volume conservation is especially pronounced for cases where there are large pressure differences across thin structural boundaries. The aim of this paper is to greatly reduce the volume error of the IB method by introducing velocity-interpolation and force-spreading schemes with the properties that the interpolated velocity field in which the structure moves is at least C1 and satisfies a continuous divergence-free condition, and that the force-spreading operator is the adjoint of the velocity-interpolation operator. We confirm through numerical experiments in two and three spatial dimensions that this new IB method is able to achieve substantial improvement in volume conservation compared to other existing IB methods, at the expense of a modest increase in the computational cost. Further, the new method provides smoother Lagrangian forces (tractions) than traditional IB methods. The method presented here is restricted to periodic computational domains. Its generalization to non-periodic domains is important future work.Comment: 49 pages, 13 figure

The geometry of thermodynamic control

A deeper understanding of nonequilibrium phenomena is needed to reveal the principles governing natural and synthetic molecular machines. Recent work has shown that when a thermodynamic system is driven from equilibrium then, in the linear response regime, the space of controllable parameters has a Riemannian geometry induced by a generalized friction tensor. We exploit this geometric insight to construct closed-form expressions for minimal-dissipation protocols for a particle diffusing in a one dimensional harmonic potential, where the spring constant, inverse temperature, and trap location are adjusted simultaneously. These optimal protocols are geodesics on the Riemannian manifold, and reveal that this simple model has a surprisingly rich geometry. We test these optimal protocols via a numerical implementation of the Fokker-Planck equation and demonstrate that the friction tensor arises naturally from a first order expansion in temporal derivatives of the control parameters, without appealing directly to linear response theory

Di-μ-oxido-bis­[(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ4 N,N′,N′′,N′′′)dimangan­ese(III,IV)] bis­(tetra­phenyl­borate) chloride acetonitrile disolvate

The title compound, [Mn2O2(C10H24N4)2](C24H20B)2Cl·2CH3CN, is a mixed-valent MnIII/MnIV oxide-bridged mangan­ese dimer with one chloride and two tetra­phenyl­borate counter-anions. There are two non-coordinated mol­ecules of acetonitrile in the formula unit. A center of inversion is present between the two metal atoms, and, consequently, there is no distinction between MnIII and MnIV metal centers. In the Mn2O2 core, the Mn—O distances are 1.817 (3) and 1.821 (3) Å. The cyclam ligand is in the cis configuration. The chloride counter-anion resides on a center of symmetry, whereas the tetra­phenyl­borate counter-anion is in a general position. The cyclam ligand is hydrogen bonded to the acetonitrile as well as to the chloride anion. One of the phenyl rings of the anion and the acetonitrile solvent molecule are each disordered over two sets of sites

Syn-sedimentary to diagenetic Cu ± Co mineralization in Mesoproterozoic pyritic shale driven by magmatic-hydrothermal activity on the edge of the Great Falls tectonic zone – Black Butte, Helena Embayment, Belt-Purcell Basin, USA: Evidence from sulfide Re-Os isotope geochemistry

The ca. 1,500 to 1,325 Ma Mesoproterozoic Belt-Purcell Basin is an exceptionally preserved archive of Mesoproterozoic Earth and its paleo-environmental conditions. The Belt-Purcell Basin is also host to world-class base metal sediment-hosted mineralization produced in a variety of settings from the rift stage of basin evolution through to the subsequent influence of East Kootenay and Grenvillian orogenies. The mineral potential of this basin has not been fully realized yet. New rhenium-osmium (Re-Os) data presented here for chalcopyrite, pyrite and black shale contribute to refine a robust genetic model for the origin of the Black Butte copper ± cobalt ± silver (Cu ± Co ± Ag) deposit hosted by the ca. >1,475 Ma Newland Formation in the Helena Embayment of the Belt-Purcell Basin in Montana, USA. Chalcopyrite Re-Os data yield an isochron age (1,488 ± 34 Ma, unradiogenic initial 187Os/188 Os composition Osi-chalcopyrite = 0.13 ± 0.11) that overlaps with the geological age of the Newland Formation. Further, the Re-Os data of syn-sedimentary to diagenetic massive pyrite yield evidence of resetting with an isochron age (1,358 ± 42 Ma) coincident with the timing of the East Kootenay Orogeny. The unradiogenic Osi-chalcopyrite at ca. 1,488 Ma (0.13 ± 0.11) argues for derivation of Os from a magmatic source with a 187Os/188 Os isotopic composition inherited from the upper mantle in the Mesoproterozoic (Osmantle 1,475 Ma= 0.12 ± 0.02). The unradiogenic Osi-chalcopyrite also suggests limited contamination from a continental crustal source. This source of Os and our new sulfur isotopic signatures of chalcopyrite [–4.1 to +2.1 ‰ - VCDT] implies a dominantly magmatic source for metals. We integrate our new results and previously published geological and geochemical evidence to conceptualize a genetic model in which Cu and metals were largely contributed by moderate-temperature, reduced magmatic-hydrothermal fluids carrying reduced sulfur species with a magmatic origin and flowing as highly metalliferous fluids within the shale sequence. A subsidiary derivation of metals during thermally forced shale diagenesis is possible. Chalcopyrite mineralization replaced locally massive syn-3 sedimentary to diagenetic pyrite units close to the sediment-water interface, i.e., an ideal locus where magmatic-hydrothermal fluids could cool and the solubility of chalcopyrite would fall. We suggest that Cu mineralization was coeval with the timing of an enhanced thermal gradient in the Helena Embayment triggered until ca. 1,455 Ma by tholeiitic dike swarm that intruded into Archean basement rocks and intersected the NE–SW-trending Great Falls Tectonic Zone

EJVES vol 34, issue 2 (August 2007) - Spanish Translated Abstracts

Chronic exposure to arsenic (As) through the consumption of contaminated groundwaters is a major threat to public health in South and Southeast Asia. The source of As-affected groundwaters is important to the fundamental understanding of the controls on As mobilization and subsequent transport throughout shallow aquifers. Using the stable isotopes of hydrogen and oxygen, the source of groundwater and the interactions between various water bodies were investigated in Cambodia’s Kandal Province, an area which is heavily affected by As and typical of many circum-Himalayan shallow aquifers. Two-point mixing models based on δD and δ18O allowed the relative extent of evaporation of groundwater sources to be estimated and allowed various water bodies to be broadly distinguished within the aquifer system. Model limitations are discussed, including the spatial and temporal variation in end member compositions. The conservative tracer Cl/Br is used to further discriminate between groundwater bodies. The stable isotopic signatures of groundwaters containing high As and/or high dissolved organic carbon plot both near the local meteoric water line and near more evaporative lines. The varying degrees of evaporation of high As groundwater sources are indicative of differing recharge contributions (and thus indirectly inferred associated organic matter contributions). The presence of high As groundwaters with recharge derived from both local precipitation and relatively evaporated surface water sources, such as ponds or flooded wetlands, are consistent with (but do not provide direct evidence for) models of a potential dual role of surface-derived and sedimentary organic matter in As mobilization

Influenza A Virus Infections in Land Birds, People’s Republic of China

Water birds are considered the reservoir for avian influenza viruses. We examined this assumption by sampling and real-time reverse transcription–PCR testing of 939 Asian land birds of 153 species. Influenza A infection was found, particularly among migratory species. Surveillance programs for monitoring spread of these viruses need to be redesigned