Article commenting on a previously published article, "Study of molecular interaction in binary liquid mixtures of ethyl acetoacetate with chloroform and dimethylsulphoxide using excess acoustic parameters and spectroscopic methods."

The importance of Arctic mixed-phase clouds on radiation and the Arctic climate is well known. However, the development of mixed-phase cloud parameterization for use in large scale models is limited by lack of both related observations and numerical studies using multidimensional models with advanced microphysics that provide the basis for understanding the relative importance of different microphysical processes that take place in mixed-phase clouds. To improve the representation of mixed-phase cloud processes in the GISS GCM we use the GISS single-column model coupled to a bin resolved microphysics (BRM) scheme that was specially designed to simulate mixed-phase clouds and aerosol-cloud interactions. Using this model with the microphysical measurements obtained from the DOE ARM Mixed-Phase Arctic Cloud Experiment (MPACE) campaign in October 2004 at the North Slope of Alaska, we investigate the effect of ice initiation processes and Bergeron-Findeisen process (BFP) on glaciation time and longevity of single-layer stratiform mixed-phase clouds. We focus on observations taken during 9th-10th October, which indicated the presence of a single-layer mixed-phase clouds. We performed several sets of 12-h simulations to examine model sensitivity to different ice initiation mechanisms and evaluate model output (hydrometeors concentrations, contents, effective radii, precipitation fluxes, and radar reflectivity) against measurements from …

Polyurethane foam has been employed in impact limiters for large radioactive materials packagings since the early 1980's. Its consistent crush response, controllable structural properties and excellent thermal insulating characteristics have made it attractive as replacement for the widely used cane fiberboard for smaller, drum size packagings. Accordingly, polyurethane foam was chosen for the overpack material for the 9977 and 9978 packagings. The study reported here was undertaken to provide data to support the analyses performed as part of the development of the 9977 and 9978, and compared property values reported in the literature with published property values and test results for foam specimens taken from a prototype 9977 packaging. The study confirmed that, polyurethane foam behaves in a predictable and consistent manner and fully satisfies the functional requirements for impact absorption and thermal insulation.

Silver nanocrystals are ideal building blocks for plasmonicmaterials that exhibit a wide range of unique and potentially usefuloptical phenomena. Individual nanocrystals display distinct opticalscattering spectra and can be assembled into hierarchical structures thatcouple strongly to external electromagnetic fields. This coupling, whichis mediated by surface plasmons, depends on their shape and arrangement.Here we demonstrate the bottom-up assembly of polyhedral silvernanocrystals into macroscopic two-dimensional superlattices using theLangmuir-Blodgett technique. Our ability to control interparticlespacing, density, and packing symmetry allows for tunability of theoptical response over the entire visible range. This assembly strategyoffers a new, practical approach to making novel plasmonic materials forapplication in spectroscopic sensors, sub-wavelength optics, andintegrated devices that utilize field enhancement effects.

Previous work showed that, in the presence of DNA-PK, Artemis slowly trims 3'-phosphoglycolate-terminated blunt ends. To examine the trimming reaction in more detail, long internally labeled DNA substrates were treated with Artemis. In the absence of DNA-PK, Artemis catalyzed extensive 5' {yields} 3' exonucleolytic resection of double-stranded DNA. This resection required a 5'-phosphate but did not require ATP, and was accompanied by endonucleolytic cleavage of the resulting 3' overhang. In the presence of DNA-PK, Artemis-mediated trimming was more limited, was ATP-dependent, and did not require a 5'-phosphate. For a blunt end with either a 3'-phosphoglycolate or 3'-hydroxyl terminus, endonucleolytic trimming of 2-4 nucleotides from the 3'-terminal strand was accompanied by trimming of 6 nucleotides from the 5'-terminal strand. The results suggest that autophosphorylated DNA-PK suppresses the exonuclease activity of Artemis toward blunt-ended DNA, and promotes slow and limited endonucleolytic trimming of the 5'-terminal strand, resulting in short 3' overhangs that are trimmed endonucleolytically. Thus, Artemis and DNA-PK can convert terminally blocked DNA ends of diverse geometry and chemical structure to a form suitable for polymerase mediated patching and ligation, with minimal loss of terminal sequence. Such processing could account for the very small deletions often found at DNA double-strand break …

We present first-principles total-energy density-functional theory electronic structure calculations for the neutral and charge states of an oxygen vacancy in KH{sub 2}PO{sub 4} (KDP). Even though the overall DOS profiles for the defective KDP are quite similar to those of the perfect KDP, the oxygen vacancy in the neutral and +1 charge states induces defect states in the band gap. For the neutral oxygen vacancy, the gap states are occupied by two electrons. The difference between the integral of the total density of states (DOS) and the sum of the DOS projected on the atoms of 0.98 |e|, indicates that one of the two electrons resulting from the removal of the oxygen atom is trapped in the vacancy, while the other tends to delocalize in the neighboring atoms. For the +1 charge oxygen vacancy, the addition of the hole reduces the occupation of the filled gap-states in the neutral case from two to one electron and produces new empty states in the gap. The new empty gap states are very close to the highest occupied states, leading to a dramatic decrease of the band gap. The difference between the integral of the total DOS and the sum of the DOS …

One crucial challenge for subwavelength optics has been thedevelopment of a tunable source of coherent laser radiation for use inthe physical, information, and biological sciences that is stable at roomtemperature and physiological conditions. Current advanced near-fieldimaging techniques using fiber-optic scattering probes1,2 have alreadyachieved spatial resolution down to the 20-nm range. Recently reportedfar-field approaches for optical microscopy, including stimulatedemission depletion (STED)3, structured illumination4, and photoactivatedlocalization microscopy (PALM)5, have also enabled impressive,theoretically-unlimited spatial resolution of fluorescent biomolecularcomplexes. Previous work with laser tweezers6-8 has suggested the promiseof using optical traps to create novel spatial probes and sensors.Inorganic nanowires have diameters substantially below the wavelength ofvisible light and have unique electronic and optical properties9,10 thatmake them prime candidates for subwavelength laser and imagingtechnology. Here we report the development of an electrode-free,continuously-tunable coherent visible light source compatible withphysiological environments, from individual potassium niobate (KNbO3)nanowires. These wires exhibit efficient second harmonic generation(SHG), and act as frequency converters, allowing the local synthesis of awide range of colors via sum and difference frequency generation (SFG,DFG). We use this tunable nanometric light source to implement a novelform of subwavelength microscopy, in which an infrared (IR) laser is usedto optically trap and scan a nanowire over a sample, suggesting a …

An asymmetric total synthesis of (-)-incarvillateine, a natural product having potent analgesic properties, has been achieved in 11 steps and 15.4% overall yield. The key step is a rhodium-catalyzed intramolecular alkylation of an olefinic C-H bond to set two stereocenters. Additionally, this transformation produces an exocyclic, tetrasubstituted alkene through which the bicyclic piperidine moiety can readily be accessed.

The molecular structures of drug target proteins and receptors form the basis for 'rational' or structure guided drug design. The majority of target structures are experimentally determined by protein X-ray crystallography, which as evolved into a highly automated, high throughput drug discovery and screening tool. Process automation has accelerated tasks from parallel protein expression, fully automated crystallization, and rapid data collection to highly efficient structure determination methods. A thoroughly designed automation technology platform supported by a powerful informatics infrastructure forms the basis for optimal workflow implementation and the data mining and analysis tools to generate new leads from experimental protein drug target structures.

The Seismic Safety Margins Research Program (SSMRP) is developing a complete fully coupled analysis procedure (including methods and computer codes) for estimating the risk of an earthquake-induced radioactive release from a commercial nuclear power plant. The analysis procedure is based upon a state-of-the-art evaluation of the current seismic analysis and design process and explicitly accounts for uncertainties inherent in such a process. In Phase I, the seismic input, the soil-structure interaction, dynamic response of structures and subsystems, and fragility were developed and combined using a probabilistic computational procedure. Demonstration calculations were completed for the Zion nuclear power plant. In Phase II, presently ongoing, additional models, improvements to existing models, and improvements to the probabilistic computational assessment of Zion have been developed. Local site amplification has significant effect on structural response and is a major source of uncertainty. As part of the final Zion analysis in Phase II, an assessment of the local site effect at the Zion site was made using new time histories modified for the Zion soil conditions. In this paper, we briefly describe the approach used to correct the seismic hazard curve and time histories developed in Phase I for local site effects and discuss in some …

Two E parallel to B end-loss-ion spectrometers (ELIS) are now making plasma measurements on Tandem Mirror Experiment-Upgrade (TMX-U). One instrument is mounted on each end of this open-ended tandem-mirror machine. These spectrometers observe plasma losses along magnetic-field lines. They operate reliably and with a minimum of attention during an experimental run. Their data, which are quickly acquired and analyzed, help guide the experimental sequence. The parallel electric and magnetic fields separate the end-loss ions according to mass (D/sup +/ and H/sup +/) and energy. Each spectrometer detects ions with an array of 128 flat collector plates that are made from copper-coated G10 epoxy fiberglass, normally used for printed-circuit boards. The ELIS diagnostic system produces a wealth of experimental information, including data on peak plasma potential, central-cell ion temperature, potentials in the thermal-barrier region, axial confinement and ion-end-loss plugging, energetic-electron losses, and hydrogen/deuterium concentrations. 6 refs., 5 figs.

An ion-cyclotron range of frequencies (ICRF) heating system has been installed in the Tandem Mirror Experiment-Upgrade (TMX-U) central cell. Our initial objective is to heat low density ions in the near field of the antenna. This heating reduces the collisionality of central cell ions, which decreases the filling rate of the thermal barrier by passing ions from the central cell. From power- and particle-balance calculations, we determined that 60 kW of absorbed power is sufficient to heat plasma densities of up to 2 x 10/sup 12/ cm/sup -3/. These power requirements are consistent with ion heating results from the Phaedrus tandem mirror. Based on this, we have installed a 200-kW oscillator/power amplifier, tunable to as low as 1.5 MHz. It drives a 110/sup 0/, 9 1/2-turn loop antenna that has a commercially built Faraday shield and matching network. The system has been tuned with plasma and is being used for the initial heating studies at the ion-cyclotron frequency ..omega../sub ci/.

These studies indicate that ICRF transition pumping is feasible in the TMX-U experiment using moderate frequencies and power levels. Some degree of latitude must be included in the final design to compensate the rough calculations. The possibility of coupling near 2 ..omega../sub ci/ is attractive but awaits a clearer exposition of the theory and an adequate computer code.

Experiments have begun on the Tandem Mirror Experiment Upgrade (TMX-U) using electron-cyclotron resonant heating (ECRH) to generate the hot electron populations required for thermal barrier operation (Energy E/sub eh/ approx. 50 keV, density n/sub eh/ < 5 x 10/sup 12/, and hot-to-cold fraction n/sub eh/n approx. 0.9). For this operation, rf power produced by 28-GHz gyrotrons is injected with extraordinary mode polarization at both fundamental and second harmonic locations. Our initial experiments, which concentrated on startup of the hot electrons, were carried out at low density (< 1 x 10/sup 12/ cm/sup -3/) where Fokker-Planck calculations predict high heating efficiency when the electron temperature (T/sub e/) is low. Under these conditions, we produced substantial hot electron populations (diamagnetic energy > 400 J, E/sub eh/ in the range of 15 to 50 keV, and n/sub eh//n > 0.5).

The authors describe a coupling correction scheme they have developed and used to successfully reduce the vertical emittance of the NSLS X-Ray ring by a factor of 6 to below 2 A. This gives a vertical to horizontal emittance ratio of less than 0.2%. They find the strengths of 17 skew quadrupoles to simultaneously minimize the vertical dispersion and the coupling. As a measure of coupling they utilize the shift in vertical closed orbit resulting from a change in strength of a horizontal steering magnet. Experimental measurements confirm the reduced emittance.

The stability of lamellar interfaces in lamellar TiAl by straining at ambient temperatures has been investigated using in-situ straining techniques performed in a transmission electron microscope in order to obtain direct evidence to support the previously proposed creep mechanisms in refined lamellar TiAl based upon the interface sliding in association with the cooperative motion of interfacial dislocations. The results have revealed that both sliding and migration of lamellar interfaces can take place as a result of the cooperative motion of interfacial dislocations.

In the currently intensifying quest to harness solar energy for the powering of our planet, most efforts are centered around photoinduced generic charge separation, such as in photovoltaics, water splitting, other small molecule activation, and biologically inspired photosynthetic systems. In contrast, direct collection of heat from sunlight has received much less diversified attention, its bulk devoted to the development of concentrating solar thermal power plants, in which mirrors are used to focus the sun beam on an appropriate heat transfer material. An attractive alternative strategy would be to trap solar energy in the form of chemical bonds, ideally through the photoconversion of a suitable molecule to a higher energy isomer, which, in turn, would release the stored energy by thermal reversal. Such a system would encompass the essential elements of a rechargeable heat battery, with its inherent advantages of storage, transportability, and use on demand. The underlying concept has been explored extensively with organic molecules (such as the norbornadiene-quadricyclane cycle), often in the context of developing photoswitches. On the other hand, organometallic complexes have remained relatively obscure in this capacity, despite a number of advantages, including expanded structural tunability and generally favorable electronic absorption regimes. A highly promising organometallic system …

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We introduce an agent-based model of epithelial cell morphogenesis to explore the complex interplay between apoptosis, proliferation, and polarization. By varying the activity levels of these mechanisms we derived phenotypic transition maps of normal and aberrant morphogenesis. These maps identify homeostatic ranges and morphologic stability conditions. The agent-based model was parameterized and validated using novel high-content image analysis of mammary acini morphogenesis in vitro with focus on time-dependent cell densities, proliferation and death rates, as well as acini morphologies. Model simulations reveal apoptosis being necessary and sufficient for initiating lumen formation, but cell polarization being the pivotal mechanism for maintaining physiological epithelium morphology and acini sphericity. Furthermore, simulations highlight that acinus growth arrest in normal acini can be achieved by controlling the fraction of proliferating cells. Interestingly, our simulations reveal a synergism between polarization and apoptosis in enhancing growth arrest. After validating the model with experimental data from a normal human breast line (MCF10A), the system was challenged to predict the growth of MCF10A where AKT-1 was overexpressed, leading to reduced apoptosis. As previously reported, this led to non growth-arrested acini, with very large sizes and partially filled lumen. However, surprisingly, image analysis revealed a much lower nuclear density than …

The International Atomic Energy Agency (IAEA) and the government of Serbia have led the project cosponsored by the U.S, Russia, European Commission, and others to repackage and repatriate approximately 8000 spent fuel elements from the RA reactor fuel storage basins at the VIN?A Institute of Nuclear Sciences to Russia for reprocessing. The repackaging and transportation activities were implemented by a Russian consortium which includes the Sosny Company, Tekhsnabeksport (TENEX) and Mayak Production Association. High activity of the water of the fuel storage basin posed serious risk and challenges to the fuel removal from storage containers and repackaging for transportation. The risk centered on personnel exposure, even above the basin water, due to the high water activity levels caused by Cs-137 leached from fuel elements with failed cladding. A team of engineers from the U.S. DOE-NNSA's Global Threat Reduction Initiative, the Vinca Institute, and the IAEA performed the design, development, and deployment of a compact underwater water chemistry control system (WCCS) to remove the Cs-137 from the basin water and enable personnel safety above the basin water for repackaging operations. Key elements of the WCCS system included filters, multiple columns containing an inorganic sorbent, submersible pumps and flow meters. All system …

This paper presents the development of a 3D surface mapping system used to measure the surface of a fusion target Capsule Fill-Tube Assembly (CFTA). The CFTA consists of a hollow Ge-doped plastic sphere, called a capsule, ranging in outer diameter between 2.2 mm and 2.6 mm and an attached 150 {micro}m diameter glass-core fill-tube that tapers down to a 10{micro} diameter at the capsule. The mapping system is an enabling technology to facilitate a quality assurance program and to archive 3D surface information of each capsule used in fusion ignition experiments that are currently being performed at the National Ignition Facility (NIF). The 3D Surface Mapping System is designed to locate and quantify surface features with a height of 50 nm and 300 nm in width or larger. Additionally, the system will be calibrated such that the 3D measured surface can be related to the capsule surface angular coordinate system to within 0.25 degree (1{sigma}), which corresponds to approximately 5 {micro}m linear error on the capsule surface.

Analysis for beryllium by fluorescence is now an established method which is used in many government-run laboratories and commercial facilities. This study investigates the use of this technique using commercially available wet wipes. The fluorescence method is widely documented and has been approved as a standard test method by ASTM International and the National Institute for Occupational Safety and Health (NIOSH). The procedure involves dissolution of samples in aqueous ammonium bifluoride solution and then adding a small aliquot to a basic hydroxybenzoquinoline sulfonate fluorescent dye (Berylliant{trademark} Inc. Detection Solution Part No. CH-2) , and measuring the fluorescence. This method is specific to beryllium. This work explores the use of three different commercial wipes spiked with beryllium, as beryllium acetate or as beryllium oxide and subsequent analysis by optical fluorescence. The effect of possible interfering metals such as Fe, Ti and Pu in the wipe medium is also examined.

Henry Stapp attempts to resolve the Cartesian dilemma by introducing what the author would characterize as an ontological dualism between mind and matter. His model for mind comes from William James` description of conscious events and for matter from Werner Heisenberg`s ontological model for quantum events (wave function collapse). His demonstration of the isomorphism between the two types of events is successful, but in the author`s opinion fails to establish a monistic, scientific theory. The author traces Stapp`s failure to his adamant rejection of arbitrariness, or `randomness`. This makes it impossible for him (or for Bohr and Pauli before him) to understand the power of Darwin`s explanation of biology, let along the triumphs of modern `neo-Darwinism`. The author notes that the point at issue is a modern version of the unresolved opposition between Leucippus and Democritus on one side and Epicurus on the other. Stapp`s views are contrasted with recent discussions of consciousness by two eminent biologists: Crick and Edelman. They locate the problem firmly in the context of natural selection on the surface of the earth. Their approaches provide a sound basis for further scientific work. The author briefly examines the connection between this scientific (rather than ontological) framework …

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