The purposes of our research were: (1) To develop an economical, easy to use, automated, high throughput system for large scale protein crystallization screening. (2) To develop a new protein crystallization method with high screening efficiency, low protein consumption and complete compatibility with high throughput screening system. (3) To determine the structure of lactate dehydrogenase complexed with NADH by x-ray protein crystallography to study its inherent structural properties. Firstly, we demonstrated large scale protein crystallization screening can be performed in a high throughput manner with low cost, easy operation. The overall system integrates liquid dispensing, crystallization and detection and serves as a whole solution to protein crystallization screening. The system can dispense protein and multiple different precipitants in nanoliter scale and in parallel. A new detection scheme, native fluorescence, has been developed in this system to form a two-detector system with a visible light detector for detecting protein crystallization screening results. This detection scheme has capability of eliminating common false positives by distinguishing protein crystals from inorganic crystals in a high throughput and non-destructive manner. The entire system from liquid dispensing, crystallization to crystal detection is essentially parallel, high throughput and compatible with automation. The system was successfully demonstrated by …

In an effort to mimic the growth of natural bone, self-assembling, micelle and gel-forming copolymers were used as a template for calcium phosphate precipitation. Because of the cationic characteristics imparted by PDEAEM end group additions to commercially available Pluronic{reg_sign} Fl27, a direct ionic attraction mechanism was utilized and a polymer-brushite nanocomposite spheres were produced. Brushite coated spherical micelles with diameters of {approx}40 nm, and agglomerates of these particles (on the order of 0.5 {mu}m) were obtained. Thickness and durability of the calcium phosphate coating, and the extent of agglomeration were studied. The coating has been shown to be robust enough to retain its integrity even below polymer critical micelle concentration and/or temperature. Calcium phosphate-polymer gel nanocomposites were also prepared. Gel samples appeared as a single phase network of agglomerated spherical micelles, and had a final calcium phosphate concentration of up to 15 wt%. Analysis with x-ray diffraction and NMR indicated a disordered brushite phase with the phosphate groups linking inorganic phase to the polymer.

Fluidized beds (FB) reactors are widely used in the polymerization industry due to their superior heat- and mass-transfer characteristics. Nevertheless, problems associated with local overheating of polymer particles and excessive agglomeration leading to FB reactors defluidization still persist and limit the range of operating temperatures that can be safely achieved in plant-scale reactors. Many people have been worked on the modeling of FB polymerization reactors, and quite a few models are available in the open literature, such as the well-mixed model developed by McAuley, Talbot, and Harris (1994), the constant bubble size model (Choi and Ray, 1985) and the heterogeneous three phase model (Fernandes and Lona, 2002). Most these research works focus on the kinetic aspects, but from industrial viewpoint, the behavior of FB reactors should be modeled by considering the particle and fluid dynamics in the reactor. Computational fluid dynamics (CFD) is a powerful tool for understanding the effect of fluid dynamics on chemical reactor performance. For single-phase flows, CFD models for turbulent reacting flows are now well understood and routinely applied to investigate complex flows with detailed chemistry. For multiphase flows, the state-of-the-art in CFD models is changing rapidly and it is now possible to predict reasonably well …

Magnetic materials exhibiting magnetic phase transitions simultaneously with structural rearrangements of their crystal lattices hold a promise for numerous applications including magnetic refrigeration, magnetomechanical devices and sensors. We undertook a detailed study of a single crystal of dysprosium metal, which is a classical example of a system where magnetic and crystallographic sublattices can be either coupled or decoupled from one another. Magnetocaloric effect, magnetization, ac magnetic susceptibility, and heat capacity of high purity single crystals of dysprosium have been investigated over broad temperature and magnetic field intervals with the magnetic field vector parallel to either the a- or c-axes of the crystal. Notable differences in the behavior of the physical properties when compared to Dy samples studied in the past have been observed between 110 K and 125 K, and between 178 K and {approx}210 K. A plausible mechanism based on the formation of antiferromagnetic clusters in the impure Dy has been suggested in order to explain the reduction of the magnetocaloric effect in the vicinity of the Neel point. Experimental and theoretical investigations of the influence of commensurability effects on the magnetic phase diagram and the value of the magnetocaloric effect have been conducted. The presence of newly found …

In this thesis our main interest has been to investigate metallic photonic crystal and its applications. We explained how to solve a periodic photonic structure with transfer matrix method and when and how to use modal expansion method. Two different coating methods were introduced, modifying a photonic structure's intrinsic optical properties and rigorous calculation results are presented. Two applications of metallic photonic structures are introduced. For thermal emitter, we showed how to design and find optimal structure. For conversion efficiency increasing filter, we calculated its efficiency and the way to design it. We presented the relation between emitting light spectrum and absorption and showed the material and structural dependency of the absorption spectrum. By choosing a proper base material and structural parameters, we can design a selective emitter at a certain region we are interested in. We have developed a theoretical model to analyze a blackbody filament enclosed by a metallic mesh which can increase the efficiency of converting a blackbody radiation to visible light. With this model we found that a square lattice metallic mesh enclosing a filament might increase the efficiency of incandescent lighting sources. Filling fraction and thickness dependency were examined and presented. Combining these two parameters …

The paper describes a novel application of an electron beam ion trap as a plasma target facility for intense laser-plasma interaction studies. The low density plasma target ({approx}10{sup 13}/cm{sup 3}) is confined in a mobile cryogenic electromagnetic charged particle trap, with the magnetic confinement field of 1-3T maintained by a superconducting magnet. Ion plasmas for a large variety of ion species and charge states are produced and maintained within the magnetic field and the space charge of an energetic electron beam in the ''Electron Beam Ion Trap'' (EBIT) geometry. Intense laser beams (optical lasers, x-ray lasers and upcoming ''X-Ray Free Electron Lasers'' (XFEL)) provide strong time varying electromagnetic fields (>10{sup 12} V/cm in femto- to nano-sec pulses) for interactions with electromagnetically confined neutral/non-neutral plasmas. The experiments are aimed to gain understanding of the effects of intense photon fields on ionization/excitation processes, the ionization balance, as well as photon polarization effects. First experimental scenarios and tests with an intense laser that utilize the ion plasma target are outlined.

None

Present the results of an extensive computational investigation of flow through structured fibrous media.

The inductively coupled plasma (ICP) is an atmospheric pressure ionization source. Traditionally, the plasma is sampled via a sampler cone. A supersonic jet develops behind the sampler, and this region is pumped down to a pressure of approximately one Torr. A skimmer cone is located inside this zone of silence to transmit ions into the mass spectrometer. The position of the sampler and skimmer cones relative to the initial radiation and normal analytical zones of the plasma is key to optimizing the useful analytical signal [1]. The ICP both atomizes and ionizes the sample. Polyatomic ions form through ion-molecule interactions either in the ICP or during ion extraction [l]. Common polyatomic ions that inhibit analysis include metal oxides (MO{sup +}), adducts with argon, the gas most commonly used to make up the plasma, and hydride species. While high resolution devices can separate many analytes from common interferences, this is done at great cost in ion transmission efficiency--a loss of 99% when using high versus low resolution on the same instrument [2]. Simple quadrupole devices, which make up the bulk of ICP-MS instruments in existence, do not present this option. Therefore, if the source of polyatomic interferences can be determined and …

Since the ITRP recommendation in August 2004 to use superconducting rf technology for a next generation linear collider, the former NLC Group at SLAC has been actively pursuing a broad range of R&D for this collider (the ILC). In this paper, the programs concerning linac technology are reviewed. Current activities include the development of a Marx-style modulator and a 10 MW sheet-beam klystron, operation of an L-band (1.3 GHz) rf source using an SNS HVCM modulator and commercial klystrons, design of a more efficient and less costly rf distribution system, construction of a coupler component test stand, fabrication of a prototype positron capture cavity, beam tests of prototype S-band linac beam position monitors and preparations for magnetic center stability measurements of a prototype SC linac quad.

This report describes results of the research project on "Improving Demographic Components of Integrated Assessment Models: The Effect of Changes in Population Composition by Household Characteristics". The overall objective of this project was to improve projections of energy demand and associated greenhouse gas emissions by taking into account demographic factors currently not incorporated in Integrated Assessment Models (IAMs) of global climate change. We proposed to examine the potential magnitude of effects on energy demand of changes in the composition of populations by household characteristics for three countries: the U.S., China, and Indonesia. For each country, we planned to analyze household energy use survey data to estimate relationships between household characteristics and energy use; develop a new set of detailed household projections for each country; and combine these analyses to produce new projections of energy demand illustrating the potential importance of consideration of households.

This research describes Fountain, a suite of programs used to monitor the resources of a cluster. A cluster is a collection of individual computers that are connected via a high speed communication network. They are traditionally used by users who desire more resources, such as processing power and memory, than any single computer can provide. A common drawback to effectively utilizing such a large-scale system is the management infrastructure, which often does not often scale well as the system grows. Large-scale parallel systems provide new research challenges in the area of systems software, the programs or tools that manage the system from boot-up to running a parallel job. The approach presented in this thesis utilizes a collection of separate components that communicate with each other to achieve a common goal. While systems software comprises a broad array of components, this thesis focuses on the design choices for a node monitoring component. We will describe Fountain, an implementation of the Scalable Systems Software (SSS) node monitor specification. It is targeted at aggregate node monitoring for clusters, focusing on both scalability and fault tolerance as its design goals. It leverages widely used technologies such as XML and HTTP to present an interface …

The Scientific and Technical Information (STI) submitted includes the final report and a collection of abstracts for the Ninth Boron in the Americas Conference which was held May 19-22, 2004, in San Marcos, Texas. The topics covered in the abstracts include: Application in Medicine, Application in Organic Synthesis and Catalysis, Boranes and Carboranes, Materials and Polymers, Metallaboranes and Metallacarboranes, Organoboron Compounds, Synthesis and Catalysis, and Theoretical Studies. Attendees represented researchers from government, industry, and academia.

We have calculated the equilibrium thermodynamic properties of Heisenberg spin systems using a quantum Monte Carlo (QMC) method. We have used some of these systems as models to describe recently synthesized magnetic molecules, and-upon comparing the results of these calculations with experimental data-have obtained accurate estimates for the basic parameters of these models. We have also performed calculations for other systems that are of more general interest, being relevant both for existing experimental data and for future experiments. Utilizing the concept of importance sampling, these calculations can be carried out in an arbitrarily large quantum Hilbert space, while still avoiding any approximations that would introduce systematic errors. The only errors are statistical in nature, and as such, their magnitudes are accurately estimated during the course of a simulation. Frustrated spin systems present a major challenge to the QMC method, nevertheless, in many instances progress can be made. In this chapter, the field of magnetic molecules is introduced, paying particular attention to the characteristics that distinguish magnetic molecules from other systems that are studied in condensed matter physics. We briefly outline the typical path by which we learn about magnetic molecules, which requires a close relationship between experiments and theoretical calculations. …

This dissertation is organized in an alternate format. Several manuscripts which have already been published or are to be submitted for publication have been included as separate chapters. Chapter 1 is a general introduction which describes the dissertation organization and introduces the human bone and ceramic materials as bone substitute. Chapter 2 is the background and literature review on dissolution behavior of calcium phosphate, and discussion of motivation for this research. Chapter 3 is a manuscript entitled ''Si,Zn-modified tricalcium phosphate: a phase composition and crystal structure study'', which was published in ''Key Engineering Materials'' [1]. Chapter 4 gives more crystal structure details by neutron powder diffraction, which identifies the position for Si and Zn substitution and explains the stabilization mechanism of the structure. A manuscript entitled ''Crystal structure analysis of Si, Zn-modified Tricalcium phosphate by Neutron Powder Diffraction'' will be submitted to Biomaterials [2]. Chapter 5 is a manuscript, entitled ''Dissolution behavior and cytotoxicity test of Si, Zn-modified tricalcium phosphate'', which is to be submitted to Biomaterials [3]. This paper discusses the additives effect on the dissolution behavior of TCP, and cytotoxicity test result is also included. Chapter 6 is the study of hydrolysis process of {alpha}-tricalcium phosphate in the …

This dissertation describes several projects to realize low-cost and high-quality three-dimensional (3D) microfabrication using non-photolithographic techniques for layer-by-layer photonic crystals. Low-cost, efficient 3D microfabrication is a demanding technique not only for 3D photonic crystals but also for all other scientific areas, since it may create new functionalities beyond the limit of planar structures. However, a novel 3D microfabrication technique for photonic crystals implies the development of a complete set of sub-techniques for basic layer-by-layer stacking, inter-layer alignment, and material conversion. One of the conventional soft lithographic techniques, called microtransfer molding ({mu}TM), was developed by the Whitesides group in 1996. Although {mu}TM technique potentially has a number of advantages to overcome the limit of conventional photolithographic techniques in building up 3D microstructures, it has not been studied intensively after its demonstration. This is mainly because of technical challenges in the nature of layer-by-layer fabrication, such as the demand of very high yield in fabrication. After two years of study on conventional {mu}TM, We have developed an advanced microtransfer molding technique, called two-polymer microtransfer molding (2P-{mu}TM) that shows an extremely high yield in layer-by-layer microfabrication sufficient to produce highly layered microstructures. The use of two different photo-curable prepolymers, a filler and an …

Multianalyte bio(chemical) sensors are extensively researched for monitoring analytes in complex systems, such as blood serum. As a step towards developing such multianalyte sensors, we studied a novel, structurally integrated, organic light emitting device (OLED)-based sensing platform for detection of lactate. Lactate biosensors have attracted numerous research efforts, due to their wide applications in clinical diagnosis, athletic training and food industry. The OLED-based sensor is based on monitoring the oxidation reaction of lactate, which is catalyzed by the lactate oxidase (LOX) enzyme. The sensing component is based on an oxygen-sensitive dye, Platinum octaethyl porphyrin (PtOEP), whose photoluminescence (PL) lifetime {tau} decreases as the oxygen level increases. The PtOEP dye was embedded in a thin film polystyrene (PS) matrix; the LOX was dissolved in solution or immobilized in a sol-gel matrix. {tau} was measured as a function of the lactate concentration; as the lactate concentration increases, {tau} increases due to increased oxygen consumption. The sensors performance is discussed in terms of the detection sensitivity, dynamic range, and response time. A response time of {approx}32 sec was achieved when the LOX was dissolved in solution and kept in a closed cell. Steps towards development of a multianalyte sensor array using an array …

Immunoassays have been utilized for the detection of biological analytes for several decades. Many formats and detection strategies have been explored, each having unique advantages and disadvantages. More recently, surface-enhanced Raman scattering (SERS) has been introduced as a readout method for immunoassays, and has shown great potential to meet many key analytical figures of merit. This technology is in its infancy and this dissertation explores the diversity of this method as well as the mechanism responsible for surface enhancement. Approaches to reduce assay times are also investigated. Implementing the knowledge gained from these studies will lead to a more sensitive immunoassay requiring less time than its predecessors. This dissertation is organized into six sections. The first section includes a literature review of the previous work that led to this dissertation. A general overview of the different approaches to immunoassays is given, outlining the strengths and weaknesses of each. Included is a detailed review of binding kinetics, which is central for decreasing assay times. Next, the theoretical underpinnings of SERS is reviewed at its current level of understanding. Past work has argued that surface plasmon resonance (SPR) of the enhancing substrate influences the SERS signal; therefore, the SPR of the extrinsic …

Eddy current nondestructive evaluation (NDE) is usually carried out by exciting a time harmonic field using an inductive probe. However, a viable alternative is to use transient eddy current NDE in which a current pulse in a driver coil produces a transient .eld in a conductor that decays at a rate dependent on the conductivity and the permeability of the material and the coil configuration. By using transient eddy current, it is possible to estimate the properties of the conductive medium and to locate and size potential .aws from the measured probe response. The fundamental study described in this dissertation seeks to establish a theoretical understanding of the transient eddy current NDE. Compared with the Fourier transform method, the derived analytical formulations are more convenient when the transient eddy current response within a narrow time range is evaluated. The theoretical analysis provides a valuable tool to study the effect of layer thickness, location of defect, crack opening as well as the optimization of probe design. Analytical expressions have been developed to evaluate the transient response due to eddy currents in a conductive plate based on two asymptotic series. One series converges rapidly for a short time regime and the other …

The Urban Dispersion Program is a multi-year project, funded by the U.S. Department of Homeland Security, to better understand the flow and dispersion of airborne contaminants through and around the deep street canyons of New York City. The first tracer and meteorological field study was a limited study conducted during March 2005 near the Madison Square Garden in midtown Manhattan. Six safe, inert, gaseous perfluorocarbon tracers were released simultaneously at five street-level locations during two experimental days. In addition to collecting tracer data, meteorological data were also collected. Brookhaven National Laboratory conducted the bulk of the tracer and meteorological field efforts with Pacific Northwest National Laboratory and Stevens Institute of Technology assisting by measuring the vertical profile of winds. The Environmental Protection Agency worked with Brookhaven National Laboratory in accomplishing the personal exposure component of the study. This report presents some results from this analysis. In general, different release locations showed vastly different plume footprints for tracer materials, and the situation was made very complex with upwind and/or crosswind transport of tracer near street-level for the different release locations. Overall wind speeds and directions upwind and over the city were generally constant throughout each of the two experimental periods.