Carboranes as model hypercarbon systems; structural and bonding patterns in selected isoelectronic closo-borane and carborane systems; [BnHn](2-), [1-CBn-1Hn](-) and 1,n-C2Bn-2Hn (n=5, 6, 7, 10 or 12)

Computations have been carried out on the title boranes and carboranes, model hypercarbon cluster systems chosen to explore how effectively an individual carbon atom, whilst bonding by a normal 2-electron 2-centre bond to an exo-hydrogen atom, can also bond to sets of three, four or five equivalent boron atoms within a series of carborane clusters which have carbon atoms in axial sites of C3v, C4v or C5v local symmetry. The calculated interatomic distances and bond orders and CH and BH group charges are reported, and the manner in which the introduction of CH units to replace BH− units in closo-borane cages perturbs the distribution of the skeletal electrons in these clusters is discussed

Impact of frequency of feedline soaking combined with evaporative air cooling in a humid environment

Heat stress in hot and humid environments reduces milk production, decreases reproduction, and increases health-related problems. The summertime environment in north-central Florida is especially difficult because the combination of high relative humidity and high temperature results in a temperaturehumidity index (THI) above the critical value of 72 for significant portions of the day. Previous work at Kansas State University had shown that the combination of soaking and evaporative air cooling could effectively cool heat-stressed cattle. Effectiveness of this feedline soaking, either in the afternoon and at night, or only at night, in combination with evaporative cooling was evaluated on a commercial dairy located in north-central Florida. A high-pressure fogging system and feedline soakers were installed in a typical 4-row freestall barn equipped with tunnel ventilation creating a north to south airflow of 6 to 8 mph at the cow level. Eight lactating Holstein cows in each of two, 292-stall pens were selected and fitted with vaginal temperature probes. Data on vaginal temperature and respiration rate were used to evaluate two cooling treatments. Barn temperature averaged 74.8 ± 5.4ºF, relative humidity was 84.6 ± 15.4 %, and THI was 74.7 ± 5.3 during the study. The evaporative cooling system reduced average barn temperature by 0.9ºF and reduced afternoon temperatures by a maximum of 9.2ºF. Average respiration rates were less (58.5 vs. 66.9 breaths/min) in the afternoon and night soaking treatment, compared with the respiration rate of cattle in the night soaking treatment. Differences were greatest at the 10:00 p.m. observation (55.0 vs. 73.3 breaths/min). Average vaginal temperature was also less (102.0 vs. 102.6°F) in the afternoon and night soaking treatment. Our results indicate that the combination of cooling the air via a highpressure fogging system and feedline soaking reduced heat stress experienced by dairy cattle. Using feedline soaking during the afternoon and night was more effective than soaking only at night.; Dairy Day, 2005, Kansas State University, Manhattan, KS, 2005; Dairy Research, 2005 is known as Dairy Day, 200

Tritium concentrations in bees and honey at Los Alamos National Laboratory: 1979-1996

Honeybees are effective monitors of environmental pollution. The objective of this study was to summarize tritium ({sup 3}H) concentrations in bees and honey collected from within and around Los Alamos National Laboratory (LANL) over an 18-year period. Based on the long-term average, bees from nine out of eleven hives and honey from six out of eleven hives on LANL lands contained {sup 3}H that was significantly higher (p <0.05) than background. The highest average concentration of {sup 3}H in bees (435 pCi mL{sup -1}) collected over the years was from LANL`s Technical Area (TA) 54-a low-level radioactive waste disposal site (Area G). Similarly, the highest average concentration of {sup 3}H in honey (709 pCi mL{sup - 1}) was collected from a hive located near three {sup 3}H storage ponds at LANL TA-53. The average concentrations of {sup 3}H in bees and honey from background hives was 1.0 pCi mL{sup -1} and 1.5 pCi ML{sup -1}, respectively. Although the concentrations of 3H in bees and honey from most LANL and perimeter (White Rock/Pajarito Acres) areas were significantly higher than background, most areas, with the exception of TA-53 and TA-54, generally exhibited decreasing 3H concentrations over time

Ab initio many-body calculations on infinite carbon and boron-nitrogen chains

In this paper we report first-principles calculations on the ground-state electronic structure of two infinite one-dimensional systems: (a) a chain of carbon atoms and (b) a chain of alternating boron and nitrogen atoms. Meanfield results were obtained using the restricted Hartree-Fock approach, while the many-body effects were taken into account by second-order M{\o}ller-Plesset perturbation theory and the coupled-cluster approach. The calculations were performed using 6-31$G^{**}$ basis sets, including the d-type polarization functions. Both at the Hartree-Fock (HF) and the correlated levels we find that the infinite carbon chain exhibits bond alternation with alternating single and triple bonds, while the boron-nitrogen chain exhibits equidistant bonds. In addition, we also performed density-functional-theory-based local density approximation (LDA) calculations on the infinite carbon chain using the same basis set. Our LDA results, in contradiction to our HF and correlated results, predict a very small bond alternation. Based upon our LDA results for the carbon chain, which are in agreement with an earlier LDA calculation calculation [ E.J. Bylaska, J.H. Weare, and R. Kawai, Phys. Rev. B 58, R7488 (1998).], we conclude that the LDA significantly underestimates Peierls distortion. This emphasizes that the inclusion of many-particle effects is very important for the correct description of Peierls distortion in one-dimensional systems.Comment: 3 figures (included). To appear in Phys. Rev.

Effects of C, Cu and Be substitutions in superconducting MgB2

Density functional calculations are used to investigate the effects of partial substitutional alloying of the B site in MgB2 with C and Be alone and combined with alloying of the Mg site with Cu. The effect of such substitutions on the electronic structure, electron phonon coupling and superconductivity are discussed. We find that Be substitution for B is unfavorable for superconductivity as it leads to a softer lattice and weaker electron-phonon couplings. Replacement of Mg by Cu leads to an increase in the stiffness and doping level at the same time, while the carrier concentration can be controlled by partial replacement of B by C. We estimate that with full replacement of Mg by Cu and fractional substitution of B by C, Tc values of 50K may be attainable.Comment: 5 pages, 4 figure

Electronic and structural properties of superconducting MgB2_2, CaSi2_2 and related compounds

We report a detailed study of the electronic and structural properties of the 39K superconductor \mgbtwo and of several related systems of the same family, namely \mgalbtwo, \bebtwo, \casitwo and \cabesi. Our calculations, which include zone-center phonon frequencies and transport properties, are performed within the local density approximation to the density functional theory, using the full-potential linearized augmented plane wave (FLAPW) and the norm-conserving pseudopotential methods. Our results indicate essentially three-dimensional properties for these compounds; however, strongly two-dimensional $\sigma$-bonding bands contribute significantly at the Fermi level. Similarities and differences between \mgbtwo and \bebtwo (whose superconducting properties have not been yet investigated) are analyzed in detail. Our calculations for \mgalbtwo show that metal substitution cannot be fully described in a rigid band model. \casitwo is studied as a function of pressure, and Be substitution in the Si planes leads to a stable compound similar in many aspects to diborides.Comment: Revised version, Phys.Rev.B in pres

Efficient photoionization for barium ion trapping using a dipole-allowed resonant two-photon transition

Two efficient and isotope-selective resonant two-photon ionization techniques for loading barium ions into radio-frequency (RF)-traps are demonstrated. The scheme of using a strong dipole-allowed transition at \lambda=553 nm as a first step towards ionization is compared to the established technique of using a weak intercombination line (\lambda=413 nm). An increase of two orders of magnitude in the ionization efficiency is found favoring the transition at 553 nm. This technique can be implemented using commercial all-solid-state laser systems and is expected to be advantageous compared to other narrowband photoionization schemes of barium in cases where highest efficiency and isotope-selectivity are required.Comment: 8 pages, 5 figure

Observation of Pseudoscalar and Axial Vector Resonances in pi- p -> K+ K- pi0 n at 18 GeV

A new measurement of the reaction pi- p -> K+ K- pi0 n has been made at a beam energy of 18 GeV. A partial wave analysis of the K+ K- pi0 system shows evidence for three pseudoscalar resonances, eta(1295), eta(1416), and eta(1485), as well as two axial vectors, f1(1285), and f1(1420). Their observed masses, widths and decay properties are reported. No signal was observed for C(1480), an IG J{PC} = 1+ 1{--} state previously reported in phi pi0 decay.Comment: 7 pages, 6 figs, to be submitted to Phys. Let

Modeling quark-hadron duality for relativistic, confined fermions

We discuss a model for the study of quark-hadron duality in inclusive electron scattering based on solving the Dirac equation numerically for a scalar confining linear potential and a vector color Coulomb potential. We qualitatively reproduce the features of quark-hadron duality for all potentials considered, and discuss similarities and differences to previous models that simplified the situation by treating either the quarks or all particles as scalars. We discuss the scaling results for PWIA and FSI, and the approach to scaling using the analog of the Callan-Gross relation for y-scaling.Comment: 38 pages, 21 figure

Non-Invasive Mouse Models of Post-Traumatic Osteoarthritis

SummaryAnimal models of osteoarthritis (OA) are essential tools for investigating the development of the disease on a more rapid timeline than human OA. Mice are particularly useful due to the plethora of genetically modified or inbred mouse strains available. The majority of available mouse models of OA use a joint injury or other acute insult to initiate joint degeneration, representing post-traumatic osteoarthritis (PTOA). However, no consensus exists on which injury methods are most translatable to human OA. Currently, surgical injury methods are most commonly used for studies of OA in mice; however, these methods may have confounding effects due to the surgical/invasive injury procedure itself, rather than the targeted joint injury. Non-invasive injury methods avoid this complication by mechanically inducing a joint injury externally, without breaking the skin or disrupting the joint. In this regard, non-invasive injury models may be crucial for investigating early adaptive processes initiated at the time of injury, and may be more representative of human OA in which injury is induced mechanically. A small number of non-invasive mouse models of PTOA have been described within the last few years, including intra-articular fracture of tibial subchondral bone, cyclic tibial compression loading of articular cartilage, and anterior cruciate ligament (ACL) rupture via tibial compression overload. This review describes the methods used to induce joint injury in each of these non-invasive models, and presents the findings of studies utilizing these models. Altogether, these non-invasive mouse models represent a unique and important spectrum of animal models for studying different aspects of PTOA