Douglas Smith - US grants

The phenomena of restricted diffusion and partitioning of large molecules in assemblages of spheres is studied. Past investigations have used porous media which contain only cylindrical pores. However, porous media of interest to many engineering applications is better represented as assemblages of uniform spheres. Uniform silica spheres with diameters of 40 to 200 nm have been fabricated. Further, spheres have been compacted at four pressures, resulting in pellets with a mean pore size ranging from 8 to 96 nm. Due to the sphere uniformity and the known surface chemistry of silica, these pellets are ideal porous media models. Diffusion coefficients for a number of macromolecules in several solvents are measured in the project using pellets of varying porosity/sphere size. Since the observed partitioning effect is due to both size exclusion and adsorption, adsorption measurements on uncompacted spheres are made. This allows the 'backing out' of the relationship between the molecule/pore size ratio and the partition coefficient. This is compared to a partitioning theory that is developed and past experimental and theoretical expressions arising from work with cylindrical pores.

Our recent studies of the initiation process in DNA replication have focused on the cloning, characterization, and sequence determination of the bacterial origin (oriC) from six bacteria all of which function as origins in Escherichia coli. These studies have resulted in an oriC consensus sequence of conserved regions and required nucleotides. The consensus sequence demonstrates that oriC is the most complex regulatory site found in procaryotes. In this project, oriC structure will be related to its function in initiation and to regulation of the initiation process, by construction of mutant E. coli origins having known changes at specific positions. Oligodeoxynucleotide mutagenesis strategy will be dictated by consensus sequence information, predicted secondary structure, and protein/RNA binding and RNA transcription studies. Function will be related to specific structural changes by assaying replication properties of the mutant origins, and by assaying the effects of second site "suppression" mutations. The Specific Aims are: 1) Use oligodeoxynucleotide mutagenesis in specific regions of oriC where function depends: (a) on specific nucleotide sequence but not on secondary structure (binding sites); (b) on specific nucleotide sequence and on secondary structure (intrastrand helical stem regions); and (c) on length of the region, but not on its nucleotide sequence (nonconserved spacer regions separating binding sites). 2) Assay quantitatively the ability of mutant origin (a) to function as an origin (copy number, stability, incompatibility assays and (b) to function in the in vitro oriC initiation system. 3) Isolate and characterize origins from bacteria which do not methylate their GATC sites. These may be very different structurally and functionally from those that function in E. coli. The primary target in nearly all postulated mechanisms for transformation of a cell into a cancer cell is the cellular DNA. Loss of regulation of DNA replication and DNA repair leads to many diseases, including cancer, and regulation occurs mainly in the initiation process, both in eucaryotes and in procaryotes. This study of how the structure of the initiation site (origin of replication) is related to its function is thus directly relevant to the health sciences, and particularly to the cancer problem.

This project will determine the biological function of the many GATC sites found within the bacterial origin (oriC) of DNA replication. Our previous studies have shown that 9 to 14 sites, with 8 totally conserved, are found in each of the 6 sequenced bacterial origins. The 6 bacteria whose origins have been cloned in E. coli all methylate these sites, although many bacteria do not. The adenine residues in these sites are methylated by the E. coli dam methylase, and dam mutants are deficient in mismatch repair. The transformation rate specifically of origin plasmids using the bacterial origin into E. coli dam mutants is 30-fold lower than into wildtype cells. GATC sites thus function in initiation, perhaps by a combination of methylation and mismatch repair events. The Specific Aims of this project include: 1) Determine why origin plasmids transform E. coli dam mutants at a greatly reduced frequency. 2) Isolate and characterize deletion and conditional mutants of the dam locus using transposons, to prove whether the dam methylase is required for cell viability. 3) Use the new oriC-dependent in vitro DNA synthesis system to elucidate the effects of GATC methylation on initiation in origin plasmids. 4) Use directed mutagenesis in vitro of GATC sites to generate deletion and insertion origin mutants specifically in GATC sites, and to generate point mutants in and near the GATC sites. This approach complements the analysis of transformed cells and plasmids from transformed cells in Specific Aim 1. Methylation events are implicated in both DNA repair and in DNA replication in procaryotes, and undermethylation appears to be very important in gene expression in eucaryotes. Loss of regulation of DNA repair, and gene expression, leads to many diseases, including cancer. Thus, this project is directly relevant to the health sciences.

The primary objective of this project is to determine the function(s) of methylation of GATC sites in DNA replication initiation events at the bacterial origin (oriC). Our previous studies have shown that six naturally occurring E. coli-type bacterial origins each contain 10-14 GATC sites within the 245 bp minimal origin, and 8 of these are perfectly conserved. We have further shown that GATC methylation state in oriC is highly important in oriC ability to function in vivo and in vitro as a bacterial origin. This project will distinguish between 1) direct effects of GATC methylation on origin function (binding of trans-acting initiation molecules; oriC required secondary structure); 2) regulatory function (time required between initiation events); and 3) indirect effects (promoters of genes whose products are involved in initiation). The Specific Aims are: 1) Determine GATC methylation state of specific sites using single origin and replicating oriC and Co1E1 plasmids, and using the chromosomal origin. Use GATC enzymes (Sau3A, Dpnl, Mbol) to assay methylation patterns. Use both dam+ and dam- cells. Correlate results with non-replicating plasmid DNA. Use chromosomal oriC DNA isolated from dnaA, dnaB, and dnaC mutant cells synchronized before and during initiation. 2) Examine in vivo and in vitro initiation properties of totally nonmethylated oriC and ColEl origin plasmids isolated from yeast. 3) Isolate and characterize mutants in origin GATC sites for oriC and the ColEl origin. Obtain suppressor mutants of these initial mutants. 4) Isolate and characterize E. coli GATC methylation mutants. Deletion/insertion mutants of the dam gene, gene for the DNA adenine methylase, are viable and appear to exhibit residual GATC methylation ability, suggesting presence of a "backup" methylation system. 5) Delineate the "dam operon". Identify transcription events via hybridization and S1 nuclease mapping experiments. Identify gene products via protein expression in maxicells and via DNA sequencing. 6) Determine the extent and type of control of expression of the dnaA and dam genes by the DnaA and Dam proteins. Methylation events are implicated in both DNA repair and DNA replication in procaryotes, as well as in some gene expression, and undermethylation appears to be very important in gene expression in eucaryotes. Loss of regulation of DNA metabolic processes, particularly replication and repair, and of correctly regulated gene expression leads to many diseases, including several forms of cancer. Thus, this project is directly related to the health sciences.

Future technological needs for ceramics will be great. A great deal of research in advanced ceramics is necessary now so that its potential for unique structural, electronic, and optical properties will be available to develop the crucial new industrial processes and products necessary for continued industrial growth. Industry has recognized this need and appears to be willing to support an Industry/University Cooperative Research Center for Micro-Engineered Ceramics. This project is funding the initiation of an Industry/University Cooperative Research Center for Micro- Engineered Ceramics at the University of New Mexico in collaboration with New Mexico Institute of Mining and Technology and in association with Sandia and Los Alamos National Laboratories. The research program is addressing: 1. Novel powder processing schemes for controlled morphology powder compacts; 2. Coatings and porous films; and 3. Heavy particle modification of ceramics and effects on thermal and electronic properties. Industry funding will exceed $300,000 per year. In addition to the National Science Foundation, the two National Laboratories are committing $500,000 per year to the Center. In addition to a complete return of overhead on industrial funds to the Center, the University of New Mexico has committed $800,000 in start-up funding for new personnel and other long-term investments for the infrastructure of the Center. New Mexico Institute of Mining and Technology is contributing two graduate students to the Center. The Principal Investigator and his university and National Laboratory research colleagues in the Center are nationally recognized experts in their fields. They represent a very strong research team that has the capability and industrial contacts to establish and run an Industry/University Cooperative Research Center. The Program Manager recommends that a cooperative agreement be made with the University of New Mexico in collaboration with New Mexico Institute of Mining and Technology. Total funding for the cooperative agreement is not to exceed $750,000 over five years.

A pilot project to look for coding sequences through a concatenated and divided version of GenBank data will be developed to ascertain the degree to which raw sequence data can be used to identify and predict gene products. GenBank entries will be divided into a reference and a test set A variety of search algorithms will be applied. This activity will also serve to test the validity of limited datasets and unique views of major databases and their role in advancing biological knowledge.

The evolution of the upper mantle will be examined by analysis of compositional zonation of minerals of xenoliths. Electron and proton probe analysis will be combined to provide data both for major elements and for trace elements to levels of a few parts per million. The results will be related to numerical simulations and to models in order to understand both processes and their rates. Data on minerals in xenoliths with high equilibration temperatures will provide information on the movement of melts in the mantle and on the compositional evolution of "fertile" peridotite. The zonations of major and trace elements will be used to interpret substitution mechanism, partition coefficients, and interdiffusion effects in garnets. The temperature-composition histories of coarse-textured xenoliths with Cr-Al zoned garnets will be modeled, in order to learn how thermal events in the lithosphere are recorded by peridotite minerals at temperatures below 1100 C.

The genesis of potassic igneous rocks and the evolution of the subcontinental mantle will be investigated by studying the potassic, mafic rocks at Two Buttes, Colorado, the easternmost Cenozoic igneous intrusives in the western U.S. These rocks are at an extreme geographic position, have unusual compositions, and appear to be above a thick continental root. Field studies will be completed, ages will be determined, and petrographic, electron probe, major and trace element, and isotopic analyses will be made. Major and trace element and Nd and Sr isotope abundances will be compared with those of rocks in contrasting tectonic settings to test theories for magma genesis, for metasomatism of continental lithosphere, and for relationships between melt generation and subduction. Pyroxene textures resemble those ascribed to magma mixing, and isotopic as well as chemical studies will be used to investigate the importance of the process in producing the diverse rock types at Two Buttes and elsewhere.

The proposed research program is a collaboration between the University of New Mexico, Air Products, and Sandia National Laboratories. It is aimed at the development of a new class of ceramic membranes based on inorganic silicate polymers synthesized be sol-gel processing. Using concepts of polymer physics, fractal geometry, and drying theory, the project develops strategies to tailor the membrane pore diameters within the range 0.2 - 3.0 nm appropriate for ultrafiltration and molecular separation of gaseous and liquid mixtures. Because the membranes are amorphous polymers rather than polycrystalline solids, the pore size is not limited by particle size as in normal ceramics. Moreover, phase transitions and grain growth are avoided. The gels and gel- derived films are characterized by surface acoustic wave methods, by imaging ellipsometry, and NMR proton spin relaxation. Such ceramic membranes have excellent thermal, chemical, and mechanical stability and can be used in gas separations and industrial waste treatment. This proposal is jointly supported by NSF and the Electric Power Research Institute (EPRI), following a special NSF-EPRI research initiative on polymeric materials.

Xenoliths from the southwestern U.S. will be analyzed to study the compositional and thermal evolution of mantle lithosphere and the relationships between mantle properties and crustal tectonics. Characterization of textures and compositional gradients will be combined with electron microprobe and PIXE analysis of thin sections and with isotopic analysis of mineral separates. Xenoliths from the Grand Canyon field on the Colorado Plateau will be studied in most detail. Compositions and thermal histories of the samples will be compared to those of xenoliths from the Basin and Range province, to learn how crustal uplift and extension are related to mantle dynamics. Textures and Sr- Nd systematics in the Grand Canyon xenoliths are unusual, and they will be characterized to understand metasomatic processes that may be subduction-related. A large collection from the Navajo field in the central Plateau has been recently acquired, and choice samples will be analyzed to determine depth and timing of mantle hydration and eclogite-facies recrystallization. In all parts of the study, particular effort will be made to elucidate transport processes and rates of mineral equilibration in the mantle, by careful analyses of gradients and by numerical simulations.

The equipment purchased (thermal cycler, a tissue culture enclose and a microcentrifuge) supports the use of PCR technology in a variety of laboratory classes recently introduced within a newly instituted B.S. degree program in Molecular Biology and Biotechnology. The program provides a link between the worlds of research and secondary education. Classes affected include Genetics, Biotechnology I and II and Immunology.

WPC 2 B P Z Courier 10cpi #| x Sj x 6 X @ 8 ; X @ HP DeskJet 500 HPDES500.PRS x @ x X , , 0 FX @Courier 10cpi CG Times 12pt 2 N X Y F ` " m o 8 ; ^

9353490 Stanley This exhibit will integrate graphics, artifacts, highly interactive electro-mechanical demonstration devices together with state of the art interactive educational computer technology to demonstrate how probability shapes nature. It will draw its examples from a variety of scientific fields including physics, chemistry, earth sciences, and biology. It is planned as a permanent addition to the Museum's exhibition program, but will be designed to facilitate easy reproduction for individual copies or for circulation as a travelling exhibit. Millions of visitors--families, teachers, children form diverse communities--will gain a first hand aesthetic appreciation of the pattern finding process of scientific investigation as well as a better understanding of the usefulness of mathematics in explaining how the natural world works. ***

9406689 Smith PI and an interdisciplinary team, including Mexican collaborator Miguel Tellez (UNAM-BC), will integrate old and new sedimentologic and biostratigraphic studies to produce a comprehensive geologic map of the Vizcaino fore-arc basin. Compiled data, including strain analyses, will be used to interpret basin history and tectonic evolution of the southwestern North American plate edge. Paleo-magnetic evidence for long-distance translation will be evaluated. Combined with prior studies, this work will provide a broad evaluation of this plate margin for the last 100 million years.

9454397 Zielinski BISCITS or Biotechnology Initiative for Systemic Change in the Teaching of Science is a program that will change the way our young people view modern technology in science. The first and foremost way to do this is enhance our nation's teachers ability to effect such change. In order to succeed, BISCITS will start by retraining the workforce at both the middle and high school level by recruiting teacher teams from school districts in the Pennsylvania area. This retraining has many facets. First, teachers need to become current and fluent about molecular biology and biotechnology subject matter and the types of employment open to those students wishing to pursue these areas as careers. Also, BISCITS will provide sessions discussing ethical issues that are being raised by biotechnology. BISCITS will make the teacher participants "biotechnology-literate."

nucleic acid sequence; computer assisted sequence analysis; microorganism genetics; automated data processing; computer system design /evaluation; developmental genetics; computer network; online computer; computer graphics /printing; information dissemination; protein sequence; computer program /software; Dictyostelium;

nucleic acid sequence; computer assisted sequence analysis; biomedical facility; developmental genetics; oligonucleotides; microorganism genetics; mutant; complementary DNA;

9903259
Smith

A shallow magnetic inclination has been reported in paleomagnetic studies of numerous tectono stratigraphic terranes distributed along Western North America. These shallow inclinations have been interpreted as requiring significant northward translation since acquisition of the magnetic signature. However, laboratory compaction studies as well or sedimentary rocks indicate that shallow inclinations in some kinds of sedimentary rocks result from compaction. This project will examine this possibility for the Valle group in Baja Mexico that previously has been used to argue for significant northward translation. Results should clarify the translation history of the peninsular Range terrane and demonstrate the role of inclination shallowing in sedimentary rocks.

The proposal from Texas Tech seeks partial support of a DS-3 connection to the gigaPoP at Texas A&M University's (TAMU) Houston Institute of Biosciences and Technology (IBT). Applications proposed include IP multicasting, both point-to-point and multicast, to be used in facilitating collaboration, seminars and presentation of course materials focused on areas such as biocybernetics and bioinformatics. Other applications include simulations of human movement systems with specific application to solving problems of vision and human gait; retrieval of real-time and archived data sets used in developing innovative multimedia applications for accessing and analyzing meteorological data and precision agriculture. Support of system-level experiments on the active and passive components for Dense Wavelength Division Multiplexing (WDM) is another intended use of the vBNS. Collaborating institutions include but are not limited to: the University of Chicago, Washington University at St. Louis, Johns Hopkins University, University of Notre Dame, University of Washington, Texas A&M, University of California-Davis, DARPA, the Ballistic Missile Defense Organization, and the National Library of Medicine.

Scientists at Texas Tech University have been working toward the goal of better understanding the effects of damaging wind events since 1970 when a devastating F5 tornado struck near the University and destroyed much of downtown Lubbock. In spite of the large societal impact of such wind events, surprisingly many crucial questions about wind and its effects are left unanswered. Behavior of the wind within the surface boundary layer of severe storms, sources of momentum related to these events, and the influence of the boundary layer wind on buildings and other structures are poorly understood. Additionally, wind is responsible for soil erosion and blowing dust, which is especially a problem in West Texas and other areas of the Midwest Research into these complex problems is interdisciplinary in nature, requiring a team with comprehensive expertise in the fields of atmospheric science, civil engineering, and mathematics. Texas Tech researchers have embraced this philosophy and have become national leaders in wind related research.

Texas Tech offers a unique environment for this research, fostering a well-developed multidisciplinary program in Wind Science and Engineering (WISE) research with active participation by faculty in Civil Engineering, Atmospheric Sciences, Mathematics, Mechanical Engineering, Electrical Engineering, and Economics. West Texas weather provides ample opportunity to directly measure the boundary layer wind profiles of severe thunderstorm events and to study problems related to soil erosion. In addition, Texas Tech researchers have demonstrated the ability to travel to coastal areas and successfully deploy instrumentation in the eyes of land-falling hurricanes. An important aspect of the WISE program is the recruiting of a diverse student population and the training of both graduate and undergraduate students in the use and application of the wide variety of available instrumentation.

Current existing facilities include the Wind Engineering Research Field Laboratory (WERFL) that is designed to measure the vertical wind structure at a field site location using an instrumented tower and to measure the resulting pressure loads from the wind on a full-scale test. Funding has also been obtained to install a local network of meteorological instrumentation (a mesonet) capable of measuring mesoscale atmospheric conditions, including the capability of measuring some boundary layer wind profiles. This represents a vast improvement in the amount of regional meteorological information that will be available for research activity. In addition, a rugged mobile-instrumented tower has been developed for field research activity.

These research facilities produce the foundation for WISE research activities. Unfortunately, many of these facilities have evolved over time from a non-interdisciplinary perspective; the wind engineering research was interested in wind effects at a given site, while the atmospheric research focused on scales larger than the boundary layer. As a result, the current interdisciplinary research is limited by the inability to take measurements of wind events on the intermediate scale between these focuses. On this scale atmospheric boundary layer phenomenon hinder the ability to correlate the observable meteorological phenomenon with tie effects of the wind on structures.

This major research instrumentation effort (MRI) is designed to provide an integrated system for measuring atmospheric processes in the surface boundary layer and the effects of those processes on built structures. The MRI equipment includes instrumentation to:

measure standard surface meteorological parameters.
equip an array of fixed meteorological towers to take very detailed measurements of winds in the vicinity of the full-scale test building.
measure the amount of suspended dust in the air to measure the effects of local soil erosion and to develop studies into air quality base on regional scale wind information.
measure the effects of wind pressure on the corners of buildings.
develop a computer system required to integrate these data with existing data sets and to archive the resulting data set.

It is generally accepted that some memories, such as those associated with important events, are retained better than others. One factor that appears to be important in the modulation of memory storage processes is the degree of arousal associated with the experience. Memories of events that are associated with moderate degrees of behavioral arousal tend to be retained better than memories associated with either very low or very high levels of arousal. Research over the past two decades has demonstrated that memory modulation is mediated by the presence of hormones from the pituitary and the adrenals that are associated with arousal. For example, injection of epinephrine, norepinephrine, ACTH, vasopressin, enkephalins, or the endorphins all modulate retention performance. However, none of these substances freely crosses the blood brain barrier to influence activity in the brain that mediates memory storage. In an attempt to resolve this apparent problem, recent research suggests that the vagus nerve may be a pathway by which peripheral arousal enhances memory. These studies demonstrated in laboratory rats that subdiaphragmic vagotomy attenuates the memory modulatory effects of some of these agents and that electrical stimulation of the vagus nerve, at a moderate intensity, can enhance memory of an avoidance task. Further, low-, but not high-intensity vagus nerve stimulation can enhance verbal learning in human subjects. Therefore, it appears that arousal results in the release of adrenal and pituitary hormones that activate peripheral receptors. These receptors then initiate neural messages, which travel to the brain via the vagus to modulate mnemonic processes. The goal of the current research project is to gain a better understanding of the neural events produced by activity in the vagus nerve that alters the strength of memory storage. A series of pharmacological, electrophysiological, and behavioral studies will be conducted. The behavioral studies are linked to electrophysiological studies that focus on characterizing changes in hippocampal responses produced by vagus nerve stimulation and a search for their underlying causes. The goal of the first set of studies is to characterize changes in electrical activity in the hippocampus, a brain structure known to be importantly involved in memory, produced by vagus nerve stimulation. Other studies will determine whether pharmacological agents that enhance memory produce effects similar to those seen following vagus nerve stimulation and whether blockade of vagus nerve activity alters these responses. The results obtained from these studies should yield a better understanding of the brain mechanisms that underlie the modulation of memory storage processes.

Due to an increase in population and economic development along the coast, our society is increasingly exposed to natural hazards including hurricanes and tornadoes. Every year these hazards cause many fatalities and injuries; major disruption in community lifelines such as power, communication and transportation; and large amounts of property damage. The events of September 11, 2001, showed us that man-made hazards are likely to be part of our lives. Since, such natural and man-made hazards are unpredictable, we can curb losses through careful planning, effective public policies, and good engineering. The objective of this IGERT program is to produce a cadre of professionals prepared for broader multidisciplinary research, comprehensive planning and balanced decision-making in the future. This objective will be met by integrating graduate research and training in a program that crosses the disciplines of atmospheric science, engineering, and economics leading to an interdisciplinary doctoral degree. The focus of the program is wind science and engineering and associated economics/risk management. Scientist and engineers at Texas Tech University have pursued wind-related research since 1970 when a devastating tornado struck near the university and destroyed much of downtown Lubbock. Over the past three decades the research program has continued to grow in the areas of building response and design, the atmospheric boundary layer and economics/risk management. With close to twenty faculty members participating in the program, a variety of research projects are in progress at a given time. Some of the research areas are wind characteristics in tornadoes and landfalling hurricanes, post-disaster investigation of building damage and economic losses, deign criteria for shelters, full-scale building response in the field, wind tunnel studies, simulation of damage, forecast for wind power, hurricane evacuation and others. NSF IGERT Fellows will take core courses in atmospheric sciences, wind-related engineering, economic/risk management, ethics and GIS. The fellows will also be trained through a rotation of three laboratory courses in meteorological measurement, wind-related engineering experimentation and statistical analysis of random phenomena. A one-semester internship in a national laboratory, industrial organization or governmental agency is part of the program. This training along with selected courses in a specific discipline will prepare the Fellows to pursue multidisciplinary research in wind science and engineering. The goal is to complete a Ph.D. degree in four to five years after completion of the bachelors degree.

IGERT is an NSF-wide program intended to meet the challenges of educating U.S. Ph.D. scientists and engineers with the multidisciplinary backgrounds and the technical, professional, and personal skills needed for the career demands of the future. The program is intended to catalyze a cultural change in graduate education by establishing innovative new models for graduate education and training in a fertile environment for collaborative research that transcends traditional disciplinary boundaries. In the fifth year of the program, awards are being made to twenty-one institutions for programs that collectively span the areas of science and engineering supported by NSF.

ABSTRACT NOT PROVIDED

The objective of this workshop is to establish a vision for the use of modeling in composite molding manufacturing processes, identify current barriers that must be overcome to realize this vision, and provide a research focus for overcoming these barriers. The approach is to hold a workshop with participants from industry, government laboratories and academia, that is co-sponsored by the National Science Foundation, the US Department of Energy, and the American Plastics Council to address issues related to the modeling of injection molded short and long fiber composites, liquid molding, compression molding, thermoplastic liquid molding, and injection-compression molding.

Polymer composites are widely used in a variety of industries including Aerospace and Automotive because they provide outstanding strength and stiffness to weight ratios. To fully realize the benefits of polymer composites in modern engineering components and systems, it is imperative that modeling methods be developed and applied at every step in the design process. This seminar addresses the role of modeling and computer simulations that are used in the design of polymer composite products and the manufacturing methods used in their production. As a result of improved modeling approaches, design cycles will be shortened which will reduce costs and allow for faster responses to changes in the marketplace. New applications will emerge. Advanced modeling strategies will help address environmental concerns by providing more efficient designs that use less energy in production, and provide opportunities to better accommodate product requirements over the entire life cycle, including materials processing, production, use and disposal.

ABSTRACT - 0500159

Efficient Lattice Boltzmann Methods for Multiphase and Multicomponent Flows

The overall objective of this proposal is to advance the state-of-the-art in numerical simulations for multi-phase and multi-component flows through the formulation, implementation, and validation of efficient lattice Boltzmann methods designed specifically for such problems. Lattice Boltzmann methods are mesoscopic approaches, based on kinetic theory, which operate at the level of particle distribution functions in phase space. These methods are particularly well suited to the simulation of complex fluids, since they result in interface capturing (as opposed to tracking) methods, and the interface physics may be incorporated directly at the meososcale level.

In order to achieve significant progress in simulation capability, the proposal focuses on three related areas. Firstly, improved lattice Boltzmann equation (LBE) models, which are consistently derived from kinetic theory, and can be shown to reproduce the governing macroscopic phenomena of interest, must be formulated. Secondly, efficient numerical algorithms must be devised for discretizing and solving the developed LBE models. Finally, these methods must be validated on canonical flows of interest, and demonstrated on more complex engineering applications as well.

While LBE methods have shown potential for simulating complex fluid phenomena, these methods have seldom been subject to the rigorous mathematical analysis that has been so successful at advancing the state-of-the-art in efficient solvers for partial-differential equations. A central objective of this proposal is thus to advance the capability of LBE techniques for multi-phase and multi-component fluid flow simulations through a more rigorous mathematical formulation of these methods, as well as through the application of suitable existing numerical algorithms, combined with the development of novel efficient numerical techniques. To this end, the proposal brings together senior personnel and external (unfunded) collaborators with extensive expertise in the disparate fields of kinetic theory, LBE methods, numerical analysis and fluid mechanics.

The intellectual merit of the proposed work rests, on the one hand, in the development of a better theoretical understanding of lattice Boltzmann methods, both in terms of kinetic theory and the achieved macroscopic limits, and on the other hand, in the interpretation of these methods as discrete systems of equations to be investigated through applied numerical analysis techniques. The effort in this latter area represents a relatively unexplored avenue with substantial potential for novel advances. The proposed work includes a portfolio of high-risk tasks and objectives considered to be relatively straightforward, based on current results and our extensive research experience.

The broader impacts targeted in this work follow three central themes. First, the work involves the promotion and exposure of lattice Boltzmann methods to a broader and more diverse community, in order to stimulate inter-disciplinary advances, drawing particularly on the fields of mathematics and computer science. Second, the collaborative nature of this proposal, involving two US institutions and several outside collaborators, is central to the development of a strong program in numerical methods for complex fluid simulations. Third, a strong program in the simulation of complex fluids will aid in the recruitment and training of graduate students, through the direct funding of graduate students, as well as through the development of program infrastructure required to facilitate the introduction of computational techniques to less experienced students.

This proposal is being submitted in response to NSF solicitation NSF-04-538: Mathematical Sciences: Innovations at the Interface with the Sciences and Engineering. The respective cognizant program officers are T. J. Mountziaris (CTS), and Leland Jameson (MPS).

The objective of this research is to develop a predictive capability that evaluates the mechanical properties of short and long fiber reinforced polymer composites from higher-order orientation tensors. The approach is to develop an automated three-dimensional finite element procedure for predicting the effective mechanical properties of a fiber suspension from its orientation distribution and the mechanical properties of the constituent materials. The work also includes measuring fiber orientations with micro-CT imaging techniques and developing a computational approach for generating fiber samples numerically from polymer melt flow simulation results. As part of this research, a Monte Carlo simulation procedure will be used to assess the statistical nature of the predicted properties, and the simulation methodology will be demonstrated on industrially-relevant products.

Fiber reinforced polymer composites are the material of choice in numerous engineering applications, due in part to their superior strength to weight ratio. This is especially true for long and short fiber composite products, which also benefit from extremely versatile manufacturing methods such as injection molding. As a result, there continues to be a major effort to incorporate more fiber reinforced polymers in commercial products, particularly in the US automotive industry where future vehicles must have reduced weight, emissions, and fuel consumption. Indeed, a specific objective of the 2010 FreedomCAR program at the US Department of Energy, a co-sponsor and collaborator of this research, is to reduce the weight of an automotive structure by 50 percent for the same cost and durability as seen in today's products. Their aggressive goal is supported under this research project by its focus on a critical link between a fiber reinforced polymer product and its manufacturing process. The research also includes the development of educational visualization tools that will provide a clearer understanding of fiber suspension mechanics for future engineering students.

Following 80 years of absence, wolves were reintroduced into Yellowstone National Park (YNP) in 1995. The basic approach to studying YNP wolves has entailed ground and aerial tracking of radio-collared wolves. For the past ten years, all wolf packs on Yellowstone's Northern Range have been monitored intensively for 30-day periods beginning 15 November and 1 March. During these two periods abundance, pack size dynamics, kill rates, vital rates, and aspects of intra- and interspecific behavior have been determined. These observations contribute to a better understanding of wolf population dynamics and of how wolf populations affect and are affected by elk populations. The current project represents a continuation of what has already been a 10-year study.

The topic of this research - predation - is one of the fundamental ecological relationships. The subject of the study - wolves and their predation on elk - is of great interest to the general public and managers. Because it links an important scientific concept with a popular pair of species, this research is directly associated with broad public educational outreach that takes many forms, from field classes and books to major TV documentaries. In recent years, this research has also been closely linked to that of over a dozen scientific collaborators and has provided research foci for 12 graduate students. It has also provided full-time, season-long opportunities to participate in field research to ~50 volunteers (40% female), most of whom are expecting to pursue a career in science.

Short-fiber polymer composites enjoy widespread industrial application due in large part to their high strength-to-weight ratios and versatile manufacturing processes. However, today?s melt flow simulation tools, which are commonly used to predict fiber microstructure and thermo-mechanical properties, employ simplified empirically-derived fiber collision models that have recently been shown to over-predict the rate of fiber alignment during processing. The main objectives of this research are to develop a phenomenological-based constitutive model for fiber collisions in a general fluid and to use this new modeling approach to predict fiber orientation states for industrial-level products. This work includes a new single fiber collision model derived from fiber-fiber and fiber-fluid interaction kinematics, a related multi-scale continuum representation, a simplified calculation procedure suitable for use with industrial applications, an investigation into its applicability to nano-tube processing, and model validation and verification. It is expected that the foundational development of this new fiber interaction model will provide unique insight into a wide range of applications resulting in more accurate and efficient composite processing design procedures.

Broader impacts of this research stem from new and unique educational activities aimed at increasing the awareness of local youth, high school students, and undergraduate engineering students to the use of computation in engineering. Specific tasks include the development of new engineering training materials for regional youth organizations and college-bound high school students, and new computational projects for undergraduate engineers. The proposed activities will leverage existing efforts for attracting students from under-represented groups while enhancing the research infrastructure through collaborative activities.

This award funds a doctoral dissertation that uses lab experiments to study decisionmaking. A topic of practical interest to both economics and organizational studies is how individuals, when making decisions, take into consideration the impact of their actions on others, as well as social norms (such as fairness) that may apply. This project focuses on a particular question within that topic: when an authority figure attempts to exploit one of the subordinates over which he or she is an authority, when and why do other subordinates, at a cost to themselves, choose to challenge that exploitation? If they challenge the authority, is it because they think the victim of the exploitation is being treated unjustly, or because they want to reduce the likelihood of future exploitation that could target them, or is it to create (or maintain) a beneficial relationship with the victim?

This project uses experimental methods to explore this question using a stylized version of the authority/subordinates scenario drawn from previous experimental literature. Participants take on the role of either an authority or a subordinate and interact repeatedly, each round being randomly and anonymously regrouped with other anonymous participants. A novel experimental design allows the selective removal of different incentives, thereby making it possible to determine the relative strengths of the distinct (though not incompatible) motivations listed above: acting out of a social preference, acting to influence the authority's future behavior, or acting to influence the other subordinate's future behavior. This project explores behavior and motivations in a setting that has relevance to a range of political science and economic models. As well, it provides new evidence on how sophisticated reasoning about others' strategies, beliefs and learning factors into decision-making.

This study?s research on the authority/subordinates relationship has important implications for the design of political institutions, as well as other hierarchical organizations (including firms, political parties, and professional organizations). The evidence gathered regarding individuals? social preferences has practical value for those involved with distributional issues, including charities (which must understand what motivates potential donors) and designers of social welfare policies. This project also has a broad impact on participation and learning by underrepresented groups, through their experiences as subjects in the experiment. The project involves over two hundred participants, drawn from the diverse student body at the University of Michigan and from a broad range of majors including humanities and social sciences, to learn about modern research methods through direct participation, and have the opportunity to ask questions about research methods.

This award is funded under the American Recovery and Reinvestment Act of 2009 (Public Law 111-5).

In this project the PI will study the physical principles of viral genome packaging using phi29 as a model system. The study will use previously developed technique based on optical tweezers for real time visualization of viral packaging processes. The project will examine the following effects on viral DNA packaging and ejection: (1) Screening of DNA by polyamine ions: Host cell polyamines including putrescine2+, spermidine3+, and spermine4+ are expected to substantially influence DNA packaging dynamics by affecting DNA mechanics and electrostatics, packing forces, and motor function. (2) Non-equilibrium dynamics: DNA packing forces will be investigated by studying the time-dependence of the internal forces resulting from changes in motor velocity induced by varying ATP concentration, and pauses in packaging induced with non-hydrolyzable ATP analogs at various capsid filling levels. Potential heterogeneity in packaging dynamics and force, as predicted in recent theoretical simulations, will also be investigated with ensembles of single molecule measurements. (3) Capsid shape: Different viruses have different capsid shapes that may affect DNA packaging dynamics. (4) DNA binding proteins: The PI will study the effect of protein "roadblocks" that interact with the DNA and create an additional load on the packaging motor. Topics of broad interest in physics and biology will be addressed, including polymer (DNA) conformation and dynamics, molecular motor function, ionic screening, protein-DNA interactions, and principles of viral assembly. Graduate and undergraduate students will be supervised by PIs with varying backgrounds and the students will perform research involving concepts and methods from the physical and biological sciences. Undergraduates will participate in this research and new undergraduate physics and biology course materials will be developed. Materials for K-12 science education will also be developed in collaboration with the R. H. Fleet Science Museum in San Diego.

The PI will conduct a series of laboratory experiments to study how the surfaces of comets are affected by impacts. Using facilities at the Experimental Impact Laboratory at the NASA Johnson Space Center (JSC), she will prepare targets consisting of refractory minerals that are either known to be present in comets or are suitable analogs for cometary material; the targets may be solid crystals, crushed, or combined with volatiles in low density dust-ice mixtures. The targets will then be impacted at velocities of a few km/s, characteristic of impacts in regions from the Main Asteroid Belt to the Kuiper Belt. The resulting impacted material will be analyzed by a variety of microscopic and spectroscopic techniques, in order to determine (1) whether shock features matching those observed in Comet Wild 2 dust samples (obtained by the Stardust spacecraft) are formed, and (2) whether impacted materials can account for the observed mid-infrared spectra of comets and Trojan asteroids. The goal is to obtain constraints on collision-driven evolution that will elucidate the dynamical histories of comets and asteroids. Students from the PI's university, a Hispanic Serving Institution, will participate in academic-year projects and summer internships at JSC conducting this research, and curricula will be developed for students in the Liberal Studies program that trains K-8 teachers

The Small Business Innovative Research Phase I project addresses a gap in technology between the lithography of periodic nanostructures, and the manufacturing of low cost nanostructured product with high volume replication. The project will bridge this technology void by extending the current capability of the scanning beam interference lithography tool, the "Nanoruler", through the novel technique of Double Patterning.

The commercial potential of this capability will be realized in a large area wire-grid polarizer, a specific LCD component that will have significant technical and social impact. Liquid Crystal Display (LCD) manufacturers have specifically targeted Nanomanufacturing as a critical need for next generation light management designs. Currently, over 90% of light generated by the display light source is absorbed before it reaches the viewing screen and is wasted as undesirable component heating. LCD researchers have identified wire grid polarizers (WGP) with a 50nm feature size as a low cost way to minimize absorption and recycle this light.

DESCRIPTION (provided by applicant): Biophysical, Biochemical, and Genetic Analysis A key step in the assembly of many viruses, including herpesviruses and poxviruses that cause significant morbidity and mortality in the human population, is the packaging of dsDNA into pre-assembled procapsids by an ATP-driven motor complex. Viral terminases comprise a major class of these packaging motors and carry out multiple functions, including binding and cleavage of DNA to initiate packaging of a genome-length of DNA from a concatemeric substrate, translocation of the DNA into the procapsid, and arrest and DNA cleavage to terminate the packaging reaction. We propose integrated genetic, biochemical, and biophysical studies to elucidate detailed mechanisms of the phage ? terminase packaging motor, a powerful model system for investigating general principles. Genetic methods are designed to identify mutants with altered packaging activities and determine phenotypic defects in vivo. Biochemical and kinetic studies are designed to interrogate packaging kinetics and assembly of viruses in vitro with defined sets of purified proteins. Biophysical analysis using optical tweezers enables detailed measurements of the packaging of single DNA molecules in real time. Each approach is designed to complement and support the others. The studies will focus on: (1) Identification of amino acid residues directly involved in motor function via detailed studies of the effect of mutations on motor subunit assembly, packaging efficiency and kinetics, ATP consumption, and infectious viral assembly;(2) A mechanistic dissection of the translocating motor to define DNA translocation rate, motor force generation, translocation step size and stepping dynamics, and coordination of motor subunits;(3) Interrogation of packaging termination and genome end maturation to define the physiokinetic factors that mediate sensing of the extent of packaging and motor arrest and DNA cleavage. The proposed studies will utilize a diverse scientific toolbox and build on solid preliminary studies that establish the genetic, biochemical, and biophysical framework used to dissect motor function. These studies will provide an unprecedented understanding of mechanochemical coupling (energy transduction) in the viral packaging motor and will yield mechanistic insight into key steps in virus assembly. The results will guide future studies on other virus systems and help to define general principles of ATP-driven molecular motors relevant to understanding homologous cellular complexes including RNA helicases and chromosome segregation factors. PUBLIC HEALTH RELEVANCE: Our research is aimed at understanding viral DNA packaging, a key step in the assembly of many viruses, including herpesviruses and poxviruses that cause significant morbidity and mortality in the human population. Our studies of the basic principles of virus assembly will lead to a better understanding of this complex biological process and aid in the development of novel antiviral therapeutics.

The reintroduction of large apex predators is an increasingly popular but controversial conservation practice worldwide. This project continues a 17-year study following wolves since their reintroduction to Yellowstone National Park. Long-term goals of the project are to identify the impacts that wolves have on their main prey, elk; document evolutionary responses of wolves and elk following wolf reintroduction; and quantify the effects of wolves on community-level interactions in the park. In the final five years of a planned ten-year study, the investigators will follow individually marked wolves and elk to determine how and why wolf-elk interactions fluctuate over time, the effects of these fluctuations on wolf traits and vital rates, and how wolves, grizzly bears, and cougars interact either synergistically or antagonistically to influence elk mortality rates. By examining changes in predator-prey dynamics continuously since wolf reintroduction, the project is assembling data that are unique in the history of large predator restoration.

The broader impacts of this ongoing project have been, and will continue to be, extraordinary in large part because apex predators readily capture the public's attention. Results of the project are routinely covered by international media. Films, books for popular audiences, professional art exhibits, and museum exhibits have all been developed on the Yellowstone wolves and their impacts. Results of the project will continue to be critical to effective management of large predators as well as of endangered or threatened species. Results have also been incorporated into the Yellowstone National Park's interpretive programs, which annually reach over 250,000 park visitors. Finally, the project serves as the basis for graduate dissertation projects, has engaged over 70 aspiring scientists in field research, and supports undergraduate training through direct involvement in an exciting, high-profile project.

Intellectual Merit: For many large DNA viruses, the production of new viruses requires use of a protein molecular motor, powered by chemical energy from ATP, to force the replicated viral DNA into the preformed empty viral shell, which is also made of protein. The viral DNA is replicated as a continuous long chain that must be cut into complete, unit-length pieces to provide each new viral particle with a complete DNA genome. The protein motor that packages the DNA also cuts the DNA chain to the correct length. For the herpes viruses and many bacterial viruses, the DNA is cut at specific sites to generate viral DNA having correct ends. Packaging begins with a precise initial cut, which generates the DNA end that is threaded into the shell by the motor. Once a complete viral DNA has been packaged, the motor nuclease again precisely cuts the DNA to terminate the DNA packaging cycle. This project aims to determine the mechanism by which the terminal DNA cut is precisely made. The model virus to be used in these studies is called "lambda," and it infects the bacterium E. coli. It was chosen because it is one of the most favorable systems for investigating this mechanism. Lambda has a special recognition site, adjacent to the proper cut site, to stop the packaging motor, so that the terminating cut is precisely made. The efficiency of termination increases with the length of the packaged DNA. As the shell fills, the resistance to packaging more DNA increases, the velocity of packaging slows, and more energy is required for the motor to continue packaging. Models to explain how termination efficiency is controlled by the extent of packaging emphasize (1) the extent of shell filling, (2) the packaging energy required, or (3) that packaging velocity regulates termination. In this project, each of these factors will be studied to determine which controls the termination process. These studies will be facilitated by the use of "optical tweezers," a powerful, biophysical technique in which single DNA molecules and individual virus shells are attached to plastic microspheres and manipulated with focused laser beams. Packaging of a single DNA molecule can be measured by detecting the movement of the microspheres and the forces acting on them. The rate of DNA movement, the energy required for packaging, and the extent of packaging will be manipulated through genetic, biochemical, and biophysical perturbations. The roles of a putative shell-stabilizing protein and of various regions of the motor proteins will also be explored using genetic and biochemical methods. The project will increase understanding of how viruses move, cut and package DNA.

Broader Impacts: Viral DNA packaging motors not only play an important role in the assembly of many viruses, but very likely also share structural features and mechanisms with many other cellular, DNA-processing enzymes, including helicases, bacterial chromosome segregation motors, and endonucleases. A strong interdisciplinary educational environment, integrating concepts and methods from the biological and physical sciences, will be ensured for participating graduate and undergraduate students. The project is led by two experienced researchers with complementary research backgrounds in biophysics and molecular biology, and strong records of research mentoring of undergraduates and students from diverse backgrounds. New undergraduate biophysics course materials will also be developed in the course of the project. Educational materials for K-12 science education will be developed in collaboration with the R.H. Fleet Science Center.

This project is jointly funded by the Genetic Mechanisms cluster in the Division of Molecular and Cellular Biosciences and by the Chemistry of Life Processes program in the Division of Chemistry.

DESCRIPTION (provided by applicant): Biophysical, Biochemical, and Genetic Analysis A key step in the assembly of many viruses, including herpesviruses and poxviruses that cause significant morbidity and mortality in the human population, is the packaging of dsDNA into pre-assembled procapsids by an ATP-driven motor complex. Viral terminases comprise a major class of these packaging motors and carry out multiple functions, including binding and cleavage of DNA to initiate packaging of a genome-length of DNA from a concatemeric substrate, translocation of the DNA into the procapsid, and arrest and DNA cleavage to terminate the packaging reaction. We propose integrated genetic, biochemical, and biophysical studies to elucidate detailed mechanisms of the phage ? terminase packaging motor, a powerful model system for investigating general principles. Genetic methods are designed to identify mutants with altered packaging activities and determine phenotypic defects in vivo. Biochemical and kinetic studies are designed to interrogate packaging kinetics and assembly of viruses in vitro with defined sets of purified proteins. Biophysical analysis using optical tweezers enables detailed measurements of the packaging of single DNA molecules in real time. Each approach is designed to complement and support the others. The studies will focus on: (1) Identification of amino acid residues directly involved in motor function via detailed studies of the effect of mutations on motor subunit assembly, packaging efficiency and kinetics, ATP consumption, and infectious viral assembly; (2) A mechanistic dissection of the translocating motor to define DNA translocation rate, motor force generation, translocation step size and stepping dynamics, and coordination of motor subunits; (3) Interrogation of packaging termination and genome end maturation to define the physiokinetic factors that mediate sensing of the extent of packaging and motor arrest and DNA cleavage. The proposed studies will utilize a diverse scientific toolbox and build on solid preliminary studies that establish the genetic, biochemical, and biophysical framework used to dissect motor function. These studies will provide an unprecedented understanding of mechanochemical coupling (energy transduction) in the viral packaging motor and will yield mechanistic insight into key steps in virus assembly. The results will guide future studies on other virus systems and help to define general principles of ATP-driven molecular motors relevant to understanding homologous cellular complexes including RNA helicases and chromosome segregation factors. PUBLIC HEALTH RELEVANCE: Our research is aimed at understanding viral DNA packaging, a key step in the assembly of many viruses, including herpesviruses and poxviruses that cause significant morbidity and mortality in the human population. Our studies of the basic principles of virus assembly will lead to a better understanding of this complex biological process and aid in the development of novel antiviral therapeutics.

On May 20, 2013, an EF-5 tornado touched down 4.4 miles west of Newcastle, OK and ended 4.8 miles east of Moore, OK, yielding an approximate path length of 17 miles and a maximum damage path width of 1.3 miles. Engineered structures, including two elementary schools, high school, theater, and medical center, were badly damaged or destroyed along with several hundred residential homes. This area represents an ideal and rare case study for wind engineering research because of the number of structural failures and debris samples, and especially since the area has experienced severe tornadoes in the past. The primary objective of this study is to collect perishable field data of damage from this 2013 tornado to advance understanding of tornadic wind and its effects on buildings and other structures. This study will focus on the performance of simple structures, building glazing, and storm shelters. A team of researchers from Texas Tech University will deploy during late May and June 2013 to the Moore, OK area to collect the following data: (a) identify simple structures along the path of the storm and collect data on their geometries, construction materials, observed failure modes, and damages to adjacent structures; (b) document glazing types used in commercial and residential buildings, their failure modes, and surrounding debris fields; and (c) survey storm shelters located within the tornado's path and document their design, construction, maintenance, and performance. This data collection effort extends a long history of field studies of windstorms at Texas Tech University and builds upon the team's extensive research on storm shelters, the Enhanced Fujita Scale (EF-scale), and wind-resistant glazing.

This study will result in multiple benefits to both the wind engineering community and construction industry. First, the wind speeds assigned to degrees of damage in the EF-scale are based on expert opinion. The data collected in this study can be used to validate wind speed estimation and improve the overall quality of the EF-scale. Second, understanding the performance of building glazing is timely as industry and code communities are currently working to develop design requirements for newer types of glazing subject to wind hazards. Third, data on the performance of storm shelters can be used to update current design guidelines and standards, leading to safer shelters, and to direct future research needed for understanding debris impact on storm shelters.

With National Science Foundation support and in response to the Materials Genome Initiative for Global Competitiveness, California State University San Bernardino will establish a Center for Materials Science to develop and study new organic ferroelectric materials. Although inorganic and organic polymeric ferroelectric materials are widely used, organic single molecule ferroelectrics have untapped potential for environmentally friendly materials with superior activity. Many of the known ferroelectrics have shortcomings with regard to applications, such as cost, toxicity, or limited electronic properties. While applications are not the main goal of the Center project, the computational models and experimental results should prove to be valuable tools in designing materials with desirable properties.

Scientific Merit: The Center consists of a disciplinarily diverse research team whose collective goals are to develop and study new organic ferroelectric materials, while at the same time strengthening active research collaborations and personnel exchange between partner institutions. The Center's systematic search for new organic ferroelectrics relies on subproject teams in three distinct areas: (1) Theory and Computation; (2) Synthesis and Structure; and (3) Experimental Investigation. In the theory/computation subproject, crystallographic databases, first principles computations, and experience-based intuition will be used to predict likely candidates. The synthesis/structure team will prepare organic compounds, grow thin films, and explore polymorphic behavior of the crystalline materials. The experimental investigation team will then determine ferroelectric and related piezoelectric properties experimentally, as a function of temperature, pressure, film thickness, and composition, as appropriate. These results will be utilized in subsequent iterations to predict the next set of ferroelectric candidates.

Broader Impact
Ferroelectricity and the closely related properties piezoelectricity, pyroelectricity, non-linear and high dielectric constant properties of materials have broad impacts on an extremely large range of areas. These include: scientific instrumentation, consumer products, national defense, medical devices, energy harvesting, energy storage, robotics, and aerospace. These applications represent billions of dollars to the economy and many high tech jobs. With its numerous applications, this research provides an excellent entry point to attract, then retain, encourage and motivate students, including underrepresented students. The potential for replacing environmentally unfriendly materials such as one of the leading piezoelectric, lead zirconium titanate, with more environmentally friendly organic materials should be particularly appealing. Students will receive a wide range of training on research grade instrumentation, experience with specific computational packages, and gain hands-on experience in synthetic organic chemistry and general laboratory techniques and procedures. The proposed research collaborations will further enhance the professional development of faculty at CSUSB and the partner community colleges.

The planned I/UCRC for Windstorm Hazard Mitigation intends to undertake functions at the interface between basic and applied research and between private and public interests. Working with its members, the Center will focus on seeking solutions to real world problems encountered by industry members and improve their performance and competitiveness; enhancing government agencies and NGOs capabilities to prepare for and respond to future windstorms; transferring findings from federally sponsored research to products and intellectual properties that benefit researchers, university, and industry; and facilitating collaboration between Center members by developing long-term strategies for enhancing community resiliency to wind and other hazards.

The planned center aims to protect homeowners, businesses, and communities through collaborative research in windstorm mitigation and the implementation of innovations will enhance the Nation's resiliency to future disasters. Integrated in the project are several initiatives aimed at increasing diversity and collectively they contribute to the development of a more diverse workforce and business environment. Meanwhile, the planning activities provide a unique opportunity for students to interact with the industry, improve their communication skills, and enhance their employment potentials. The project helps develop students with strong problem solving, marketable capabilities. The project also helps train Center faculty on how to work with the industry.

? DESCRIPTION (provided by applicant): Many viruses, including herpes-, adeno-, and poxviruses, use powerful ATP-driven molecular motors to package their double stranded DNA genomes into viral capsid shells. The objective of this project is to understand the molecular-structural mechanism by which these motors operate, which is important because DNA packaging is a critical step in viral assembly and a potential target for antiviral drugs. An integrated experimental and computational approach will be used to study the bacteriophage T4 packaging motor, to date the only viral motor for which atomic structures are available and a defined in vitro packaging assay has been established. Single-molecule optical tweezers methods combined with site-directed mutagenesis and kinetic analyses will be used to test hypothesized roles of motor structural transitions in DNA packaging and link these transitions with individual kinetic steps in the ATP hydrolysis cycle. An integrated single-molecule fluorescence/optical tweezers approach incorporating labeled mutant and wild type subunits into the motor complex will be used to investigate how the multiple motor subunits coordinate their activities to rapidly package DNA. Molecular, structural, and kinetic modeling will be used to generate testable predictions regarding motor structure-function relationships to be probed by the experimental studies and to provide a detailed mechanistic interpretation of the experimental findings. The outcome of this project will be the first atomic-level model of a viral DNA packaging motor that links mechanical and chemical kinetics with structural transitions. The structural mechanisms revealed here, along with the advances in experimental and computational modeling techniques, will be widely applicable to other complex biomolecular machines.

During November 16-17, 2015, a rare tornado outbreak produced at least 17 tornadoes in Texas, Oklahoma, and Kansas, including an Enhanced Fujita (EF) EF3 tornado, which damaged a group of engineered structures at an oilfield services facility near Pampa, Texas and nearby engineered center-pivot irrigation system structures. Structural resistances for these structures can be estimated, enabling the estimation of tornado wind speeds associated with the damage. This Rapid Response Research (RAPID) project will investigate tornado wind structure and estimated wind speeds through three-dimensional (3-D), digital data preservation of the tornado damage to the oilfield facility and irrigation system structures. Preservation of this 3-D structural damage data will enable future researchers to validate wind-damage prediction models, via physical modeling, computer modeling, and other predictive damage modeling (for example, loss estimation and risk assessment modeling).

Using a suite of remote-sensing data collection methods, the project team will rapidly collect high-resolution, 3-D structural damage data through photography and photogrammetry, laser scanning, unmanned aerial vehicle visual imaging, and satellite imaging. The data collected from this project can serve as the basis for collaborative, multi-disciplinary studies emphasizing the accurate and highly detailed preservation of structural damage from tornadoes, heightened understanding of the complex wind structures of tornadoes, validation or refinement of tornado wind speed estimates, and development of more resilient infrastructure. Undergraduate students will participate in data collection and then use this data to collaborate on future research alongside graduate students and faculty researchers from three institutions, thus training future leaders in the mitigation of natural hazards damage.

Viruses are small infectious agents that only replicate inside the living cells of other organisms and can infect all types of life forms. This research will improve the understanding of key steps in the life-cycle of many viruses, the packaging of the DNA during viral assembly and the ejection of the DNA during infection of a host cell, as well as how these processes depend on the physical behavior of the tightly packed DNA. The project will not only shed light on the fundamental biology of viruses, but also on the physics of tightly confined DNA and the regulation of biological molecular motors which transport DNA. Graduate and undergraduate students will receive interdisciplinary training in the application of physics techniques to biology research and new experimental laboratory course materials will also be developed. K-12 outreach activities will be conducted and grade-school educational materials, including science books, kits, and games, will be evaluated for quality and scientific accuracy to provide online recommendations to schools and museums.

Recent studies have shown that the kinetics of the packaging of double stranded DNA in bacterial viruses is dominated by the dynamics and energetics of the tightly packed DNA. In the biological regime to be studied, with repulsive DNA-self interactions, the DNA relaxes only very slowly towards an equilibrium conformation. Large forces build that resist DNA confinement and later help drive ejection during infection of a host cell. Bacteriophage phi29 will be studied as a model system and the packaging of single DNA molecules will be directly measured with optical tweezers. The dependence of packaging kinetics on initial motor velocity, dependent on ATP concentration, will be studied. Lower initial velocity is hypothesized to reduce formation of highly unfavorable DNA conformations, yielding decreased heterogeneity in the dynamics, lower relative slowing during filling, and less motor pausing, slipping, and stalling. A hypothesis to be tested is that allosteric regulation of the portal motor helps packaging complete as fast as possible by throttling down the motor velocity to mitigate formation of unfavorable DNA conformations. How packaging kinetics, force, and DNA relaxation depend on temperature and ionic conditions will also be studied. Motor velocity increases significantly with temperature, and motor slowing during filling depends on ionic screening conditions. Whereas faster initial velocity may cause greater relative slowing during filling, increased temperature or ionic screening may accelerate DNA relaxation. How packaging conditions and aging affect DNA ejection and viral infectivity will also be studied. Conditions affecting the DNA conformation during packaging, and aging, may impact DNA ejection. Conditions that increase forces resisting packaging or decrease DNA relaxation time may enhance ejection. The biological impact of these parameters will be investigated by examining their effects on virus infectivity.

Abstract The overall goal of this project is to develop an optimized assay design and development process to permit the rapid implementation of sensitive, bead-based immuno-PCR assays for the detection of the major bacterial and fungal toxins that are produced by common contaminants of medicinal cannabis. The assay process will be developed and validated in Phase I, focusing on one important small molecule mycotoxin, paxilline. Our phase II plans for this project will be to utilize the optimized assay format to develop and commercialize sensitive bead-based iPCR assays to detect each of the major bacterial and fungal toxins that are produced by prevalent contaminants of medicinal cannabis. This will address a critical unmet need in the rapidly expanding medicinal cannabis industry and will enhance MGC's list of product offerings significantly. 

This award is supported by the Major Research Instrumentation and the Chemistry Research Instrumentation programs. California State University San Bernardino (UEC at CSUSB) is acquiring a 400 MHz nuclear magnetic resonance (NMR) spectrometer equipped with an automatic sample changer to support Dr. Jeremy Mallari and colleagues Drs. Kimberley Cousins, Douglas Smith and Jason Burke. This spectrometer allows research in a variety of fields such as those that accelerate chemical reactions of significant economic importance, as well as permitting the study of biologically relevant species. In general, NMR spectroscopy is one of the most powerful tools available to chemists for the elucidation of the structure of molecules. It is used to identify unknown substances, to characterize specific arrangements of atoms within molecules, and to study the dynamics of interactions between molecules in solution or in the solid state. Access to state-of-the-art NMR spectrometers is essential to chemists who are carrying out frontier research. This instrument is an integral part of teaching as well as research and research training of undergraduate students in chemistry and biochemistry at this institution and nearby institutions and community colleges.

The award of the NMR spectrometer is aimed at enhancing research and education at all levels. It especially impacts the development of ferroelectric and piezoelectric systems. The instrumentation is also aimed at supporting activities related to the extraction of lithium from seawater. In addition, it benefits the development of chemical tools to investigate malaria protease biology. The spectrometer is also to be used to investigate chalcone isomerase evolution.

This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.