Many chemists have been fascinated with the development of discrete supramolecular structures that encapsulate guest molecules. These structures can be assembled through covalent or hydrogen bonds, electrostatic or metal-ligand interactions. These host structures have provided valuable insight into the forces involved in small molecule recognition. Our work has focused on the design and study of metal-ligand clusters of varying sizes. The naphthalene [M{sub 4}L{sub 6}]{sup 12-} cluster 1, shown in Figure 1, has demonstrated diastereoselective guest binding and chiral induction properties as well as the ability to catalyze reactions carried out inside the cavity in an enzyme-like manner. However, the size of the cavity (ca. 300-500 {angstrom}{sup 3}) has often limited the scope of substrates for these transformations.

Most energy benchmarking tools provide static feedback on how one building compares to a larger set of loosely similar buildings, without providing information at the end-use level or on what can be done to reduce consumption, cost, or emissions. In this article--Part 1 of a two-part series--we describe an 'action-oriented benchmarking' approach, which extends whole-building energy benchmarking to include analysis of system and component energy use metrics and features. Action-oriented benchmarking thereby allows users to generate more meaningful metrics and to identify, screen and prioritize potential efficiency improvements. This opportunity assessment process can then be used to inform and optimize a full-scale audit or commissioning process. We introduce a new web-based action-oriented benchmarking system and associated software tool-EnergyIQ. The benchmarking methods, visualizations, and user interface design are informed by an end-user needs assessment survey and best-practice guidelines from ASHRAE.

Using visible and X-ray photoelectron spectroscopy we measured the work function of a Au(111) surface at a well-defined sub-monolayer coverage of Cs. For a Cs coverage producing a photoemission maximum with a He-Ne laser, the work function is 1.61 {+-} 0.08 eV consistent with previous assumptions used to analyze vibrationally promoted electron emission. A discussion of possible Cs layer structures is also presented.

Declining natural resources, rising oil prices, looming climate change and the introduction of nuclear energy partnerships, such as GNEP, have reinvigorated global interest in nuclear energy. The convergence of such issues has prompted countries to move ahead quickly to deal with the challenges that lie ahead. However, developing countries, in particular, often lack the domestic infrastructure and public support needed to implement a nuclear energy program in a safe, secure, and nonproliferation-conscious environment. How might countries become ready for nuclear energy? What is needed is a framework for assessing a country's readiness for nuclear energy. This paper suggests that a Nuclear Energy Readiness Indicator (NERI) Index might serve as a meaningful basis for assessing a country's status in terms of progress toward nuclear energy utilization under appropriate conditions. The NERI Index is a benchmarking tool that measures a country's level of 'readiness' for nonproliferation-conscious nuclear energy development. NERI first identifies 8 key indicators that have been recognized by the International Atomic Energy Agency as key nonproliferation and security milestones to achieve prior to establishing a nuclear energy program. It then measures a country's progress in each of these areas on a 1-5 point scale. In doing so NERI illuminates gaps …

A preliminary measurement of the branching fraction {Beta}({tau}{sup -} {yields} K{sub S}{sup 0}{pi}{sup -}{nu}{sub {tau}}) is made using 384.6 fb{sup -1} of e{sup +}e{sup -} collision data provided by the PEP-II collider, operating primarily at {radical}s = 10.58 GeV, and recorded using the BABAR detector. From this they measure: {Beta}({tau}{sup -} {yields} {bar K}{sup 0}{pi}{sup -}{nu}{sub {tau}}) = (0.840 {+-} 0.004(stat) {+-} 0.023(syst))%. This result is the most precise measurement to date and is consistent with the world average.

NIR light scattering from ex vivo porcine cardiac tissue was investigated to understand how imaging or point measurement approaches may assist development of methods for tissue depth assessment. Our results indicate an increase of average image intensity as thickness increases up to approximately 2 mm. In a dual fiber spectroscopy configuration, sensitivity up to approximately 3 mm with an increase to 6 mm when spectral ratio between selected wavelengths was obtained. Preliminary Monte Carlo results provided reasonable fit to the experimental data.

The U.S. Support Program to IAEA Safeguards (USSP) priority of training and human resources is aimed at providing the Department of Safeguards with an appropriate mixture of regular staff and extrabudgetary experts who are qualified to meet the IAEA's technical needs and to provide personnel with appropriate instruction to improve the technical basis and specific skills needed to perform their job functions. The equipment and methods used in inspection activities are unique, complex, and evolving. New and experienced safeguards inspectors need timely and effective training to perform required tasks and to learn new skills prescribed by new safeguards policies or agreements. The role of the inspector has changed from that of strictly an accountant to include that of a detective. New safeguards procedures are being instituted, and therefore, experienced inspectors must be educated on these new procedures. The USSP also recognizes the need for training safeguards support staff, particularly those who maintain and service safeguards equipment (SGTS), and those who perform information collection and analysis (SGIM). The USSP is committed to supporting the IAEA with training to ensure the effectiveness of all staff members and will continue to offer its assistance in the development and delivery of basic, refresher, and …

Several new physics scenarios can lead to monojet signatures at the LHC. If such events are observed above the Standard Model background it will be important to identify their origin. In this paper we compare and contrast these signatures as produced in two very different pictures: vector or scalar unparticle production in the scale-invariant/conformal regime and graviton emission in the Arkani-Hamed, Dimopoulos and Dvali extra-dimensional model. We demonstrate that these two scenarios can be distinguished at the LHC for a reasonable range of model parameters through the shape of their respective monojet and/or missing E{sub T} distributions.

A long-probe technique was utilized to record the expansion and retreat of the dynamic sheath around a spherical substrate immersed in pulsed cathode arc metal plasma. Positively biased, long cylindrical probes were placed on the side and downstream of a negatively pulsed biased stainless steel sphere of 1" (25.4 mm) diameter. The amplitude and width of the negative high voltage pulses (HVP) were 2 kV, 5 kV, 10 kV, and 2 mu s, 4 mu s, 10 mu s, respectively. The variation of the probe (electron) current during the HVP is a direct measure for the sheath expansion and retreat. Maximum sheath sizes were determined for the different parameters of the HVP. The expected rarefaction zone behind the biased sphere (wake) due to the fast plasma flow was clearly established and quantified.

We present experimental evidence that silver nanoparticles in the size range of 5-10 nm undergo a reversible structural transformation under hydrostatic pressures up to 10 GPa. We have used x-ray diffraction with a synchrotron light source to investigate pressure-dependent and size-dependent trends in the crystal structure of silver nanoparticles in a hydrostatic medium compressed in a diamond-anvil cell. Results suggest a reversible linear pressure-dependent rhombohedral distortion which has not been previously observed in bulk silver. We propose a mechanism for this transition that considers the bond-length distribution in idealized multiply twinned icosahedral particles. To further support this hypothesis, we also show that similar measurements of single-crystal platinum nanoparticles reveal no such distortions.

We present the first large-scale effort of creating composite spectra of high-redshift type Ia supernovae (SNe Ia) and comparing them to low-redshift counterparts. Through the ESSENCE project, we have obtained 107 spectra of 88 high-redshift SNe Ia with excellent light-curve information. In addition, we have obtained 397 spectra of low-redshift SNe through a multiple-decade effort at Lick and Keck Observatories, and we have used 45 ultraviolet spectra obtained by HST/IUE. The low-redshift spectra act as a control sample when comparing to the ESSENCE spectra. In all instances, the ESSENCE and Lick composite spectra appear very similar. The addition of galaxy light to the Lick composite spectra allows a nearly perfect match of the overall spectral-energy distribution with the ESSENCE composite spectra, indicating that the high-redshift SNe are more contaminated with host-galaxy light than their low-redshift counterparts. This is caused by observing objects at all redshifts with similar slit widths, which corresponds to different projected distances. After correcting for the galaxy-light contamination, subtle differences in the spectra remain. We have estimated the systematic errors when using current spectral templates for K-corrections to be {approx}0.02 mag. The variance in the composite spectra give an estimate of the intrinsic variance in low-redshift maximum-light …

The University of Michigan participated in the joint UCLA/Maryland fusion science center focused on plasma physics problems for which the traditional separation of the dynamics into microscale and macroscale processes breaks down. These processes involve large scale flows and magnetic fields tightly coupled to the small scale, kinetic dynamics of turbulence, particle acceleration and energy cascade. The interaction between these vastly disparate scales controls the evolution of the system. The enormous range of temporal and spatial scales associated with these problems renders direct simulation intractable even in computations that use the largest existing parallel computers. Our efforts focused on two main problems: the development of Hall MHD solvers on solution adaptive grids and the development of solution adaptive grids using generalized coordinates so that the proper geometry of inertial confinement can be taken into account and efficient refinement strategies can be obtained.

Objectives. The overall objective of this application is to develop novel technologies for non-invasive imaging of adoptive stem cell-based therapies with positron emission tomography (PET) that would be applicable to human patients. To achieve this objective, stem cells will be genetically labeled with a PET-reporter gene and repetitively imaged to assess their distribution, migration, differentiation, and persistence using a radiolabeled reporter probe. This new imaging technology will be tested in adoptive progenitor cell-based therapy models in animals, including: delivery pro-apoptotic genes to tumors, and T-cell reconstitution for immunostimulatory therapy during allogeneic bone marrow progenitor cell transplantation. Technical and Scientific Merits. Non-invasive whole body imaging would significantly aid in the development and clinical implementation of various adoptive progenitor cell-based therapies by providing the means for non-invasive monitoring of the fate of injected progenitor cells over a long period of observation. The proposed imaging approaches could help to address several questions related to stem cell migration and homing, their long-term viability, and their subsequent differentiation. The ability to image these processes non-invasively in 3D and repetitively over a long period of time is very important and will help the development and clinical application of various strategies to control and direct stem cell …

The authors present the observation of the decay B{sup 0} {yields} {chi}{sub c0}K*{sup 0} as well as evidence of B{sup +} {yields} {chi}{sub c0}K*{sup +}, with an 8.9 and a 3.6 standard deviation significance, respectively, using a data sample of 454 million {Upsilon}(4S) {yields} B{bar B} decays collected with the BABAR detector at the PEP-II B meson factory located at the Standard Linear Accelerator Center (SLAC). The measured branching fractions are: {Beta}(B{sup 0} {yields} {chi}{sub c0}K*{sup 0}) = (1.7 {+-} 0.3 {+-} 0.2) x 10{sup -4} and {Beta}(B{sup +} {yields} {chi}{sub c0}K*{sup +}) = (1.4 {+-} 0.5 {+-} 0.2) x 10{sup -4}, where the first quoted errors are statistical and the second are systematic. They obtain a branching fraction upper limit of {Beta}(B{sup +} {yields} {chi}{sub c0}K*{sup +}) < 2.1 x 10{sup -4} at the 90% confidence level.

High-pressure freezing is the preferred method to prepare thick biological specimens for ultrastructural studies. However, the advantages obtained by this method often prove unattainable for samples that are difficult to handle during the freezing and substitution protocols. Delicate and sparse samples are difficult to manipulate and maintain intact throughout the sequence of freezing, infiltration, embedding, and final orientation for sectioning and subsequent TEM imaging. An established approach to surmount these difficulties is the use of cellulose microdialysis tubing to transport the sample. With an inner diameter of 200 micrometers, the tubing protects small and fragile samples within the thickness constraints of high-pressure freezing, and the tube ends can be sealed to avoid loss of sample. Importantly, the transparency of the tubing allows optical study of the specimen at different steps in the process. Here, we describe the use of a micromanipulator and microinjection apparatus to handle and position delicate specimens within the tubing. We report two biologically significant examples that benefit from this approach, 3D cultures of mammary epithelial cells and cochlear outer hair cells. We illustrate the potential for correlative light and electron microscopy as well as electron tomography.

The electron hosing instability in the blow-out regime of plasma-wakefield acceleration is investigated using a linear perturbation theory about the electron blow-out trajectory in Lu et al. [in Phys. Rev. Lett. 96, 165002 (2006)]. The growth of the instability is found to be affected by the beam parameters unlike in the standard theory Whittum et al. [Phys. Rev. Lett. 67, 991 (1991)] which is strictly valid for preformed channels. Particle-in-cell simulations agree with this new theory, which predicts less hosing growth than found by the hosing theory of Whittum et al.

The U.S. Department of Energy’s (DOE) commitment to assuring the health and safety of its workers includes the conduct of illness and injury surveillance activities that provide an early warning system to detect health problems among workers. The Illness and Injury Surveillance Program monitors illnesses and health conditions that result in an absence, occupational injuries and illnesses, and disabilities and deaths among current workers.

As critical dimensions shrink, line edge and width roughness (LER and LWR) become of increasing concern. Traditionally LER is viewed as a resist-limited effect; however, as critical dimensions shrink and LER requirements become proportionally more stringent, system-level effects begin to play an important role. Recent advanced EUV resist testing results have demonstrated lower bounds on achievable LER at the level of approximately 2 to 3 nm. Here we use modeling to demonstrate that a significant portion of this low bound may in fact be do to system-level effects and in particular the mask. Of concern are both LER on the mask as well as roughness of the multilayer reflector. Modeling also shows roughness (flare) in the projection optics not to be of concern.

This document represents a summary of work carried out at Utah State University in conjunction with the Center for Extended Magnetohyrodynamic Modeling (CEMM). The principal investigator, Dr. Eric Held, was aided in this work by two former graduate students, Drs. John James and Michael Addae-Kagyah, who completed their PhD's while being partially funded by CEMM monies. In addtion, Dr. Jeong-Young Ji, a postdoctoral researcher and Mukta Sharma, a graduate student were supported. The work associated with this grant focused on developing an efficient, hybrid fluid/kinetic model for fusion plasmas. Specifically, expressions for the parallel heat fluxes and stresses in magnetized plasmas were implemented and exercised in the NIMROD plasma fluid code.

Lithium borohydride, magnesium hydride and the 2:1 'destabilized' ball milled mixtures (2LiBH{sub 4}:MgH{sub 2}) underwent liquid phase hydrolysis, gas phase hydrolysis and air oxidation reactions monitored by isothermal calorimetry. The experimentally determined heats of reaction and resulting products were compared with those theoretically predicted using thermodynamic databases. Results showed a discrepancy between the predicted and observed hydrolysis and oxidation products due to both kinetic limitations and to the significant amorphous character of observed reaction products. Gas phase and liquid phase hydrolysis were the dominant reactions in 2LiBH{sub 4}:MgH{sub 2} with approximately the same total energy release and reaction products; liquid phase hydrolysis displayed the maximum heat flow for likely environmental exposure with a peak energy release of 6 (mW/mg).

Laboratory testing was performed to develop a comprehensive understanding of the corrosivity of the tank wastes stored in Double-Shell Tanks using simulants primarily from Tanks 241-AP-105, 241-SY-103 and 241-AW-105. Additional tests were conducted using simulants of the waste stored in 241-AZ-102, 241-SY-101, 241-AN-107, and 241-AY-101. This test program placed particular emphasis on defining the range of tank waste chemistries that do not induce the onset of localized forms of corrosion, particularly pitting and stress corrosion cracking. This document summarizes the key findings of the research program.

The International Linear Collider (ILC) is a proposal for 500 GeV center-of-mass electron-positron collider, with a possible upgrade to {approx}1 TeV center-of-mass. At the heart of the ILC are the two {approx}12 km 1.3 GHz superconducting RF (SCRF) linacs which will accelerate the electron and positron beams to an initial maximum energy of 250 GeV each. The Global Design Effort (GDE)--responsible for the world-wide coordination of this uniquely international project--published the ILC Reference Design Report in August of 2007 [1]. The ILC outlined in the RDR design stands on a legacy of over fifteen-years of R&D. The GDE is currently beginning the next step in this ambitious project, namely an Engineering Design phase, which will culminate with the publication of an Engineering Design Report (EDR) in mid-2010. Throughout the history of linear collider development, beam dynamics has played an essential role. In particular, the need for complex computer simulations to predict the performance of the machine has always been crucial, not least because the parameters of the ILC represent in general a large extrapolation from where current machines operate today; many of the critical beam-dynamics features planned for the ILC can ultimately only be truly tested once the ILC has …

A new method for projecting discretized electromagnetic fields on one unstructured grid to another grid is presented in this paper. Two examples are used for studying the errors of different projection methods. The analysis shows that the new method is very effective on balancing both the error of the electric field and that of the magnetic field (or curl of the electric field).

Reproductive toxicants are a very important class of compounds. They present unique hazards to those of child bearing ages, perform their 'dirty work' using a wide variety of mechanisms on a number of different organs, and are regulatorily important. Because of all of this, properly identifying reproductive toxicants is important, but fraught with difficulty. In this paper we will describe types or reproductive toxicants, their importance, and both mistakes and good practices that people who are not experts in reproductive toxicology may use in their attempts to identify them. Additionally, this paper will focus on chemical reproductive toxicants and will not address biological agents that could affect reproductive toxicity although many principles outlined here could be applied to that endeavor.