None

None

None

None

None

None

In this thesis, we explore both total syntheses and methodologies of several aromatic heterocyclic molecules. Extensions of the Kraus indole synthesis toward 2-substituted and 2,3-disubstituted indoles, as well as biologically attractive indolo[2,1-a]isoquinolines are described. Recent renewable efforts directed to commodity maleic acid and the first reported furan-based ionic liquids are described. Our total synthesis of mRNA aptamer ligand PDC-Gly, and its dye coupled forms, plus aminoglycoside dye coupled ligands used in molecular imaging, are described.

None

The goal of this project was to provide support for an advanced X-ray microspectroscopy facility at the National Synchrotron Light Source, Brookhaven National Laboratory. This facility is operated by the University of Chicago and the University of Kentucky. The facility is available to researchers at both institutions as well as researchers around the globe through the general user program. This facility was successfully supported during the project period. It provided access to advanced X-ray microanalysis techniques which lead to fundamental advances in understanding the behavior of contaminants and geochemistry that is applicable to environmental remediation of DOE legacy sites as well as contaminated sites around the United States and beyond.

None

None

None

While current production of ethanol as a biofuel relies on starch and sugar inputs, it is anticipated that sustainable production of ethanol for biofuel use will utilize lignocellulosic feedstocks. Candidate plant species to be used for lignocellulosic ethanol production include a large number of species within the Grass, Pine and Birch plant families. For these biofuel feedstock species, there are variable amounts of genome sequence resources available, ranging from complete genome sequences (e.g. sorghum, poplar) to transcriptome data sets (e.g. switchgrass, pine). These data sets are not only dispersed in location but also disparate in content. It will be essential to leverage and improve these genomic data sets for the improvement of biofuel feedstock production. The objectives of this project were to provide computational tools and resources for data-mining genome sequence/annotation and large-scale functional genomic datasets available for biofuel feedstock species. We have created a Bioenergy Feedstock Genomics Resource that provides a web-based portal or “clearing house” for genomic data for plant species relevant to biofuel feedstock production. Sequence data from a total of 54 plant species are included in the Bioenergy Feedstock Genomics Resource including model plant species that permit leveraging of knowledge across taxa to biofuel feedstock species.We …

None

None

None

Nuclear facilities sometimes use hand-held plastic scintillator detectors to detect attempts to divert special nuclear material in situations where portal monitors are impractical. MCNP calculations have been performed to determine the neutron and gamma radiation field arising from a Category I quantity of weapons-grade plutonium in various shielding configurations. The shields considered were composed of combinations of lead and high-density polyethylene such that the mass of the plutonium plus shield was 22.7 kilograms. Monte-Carlo techniques were also used to determine the detector response to each of the shielding configurations. The detector response calculations were verified using field measurements of high-, medium-, and low- energy gamma-ray sources as well as a Cf-252 neutron source.

None

None

There have been a growing number of notable results in fundamental neutron physics, which are briefly summarized.

During this project the investigators implemented a fully parallel version of dual-grid approach in main frame code ICON, implemented a fully conservative first-order interpolation scheme for horizontal remapping, integrated UCLA-LES micro-scale model into ICON to run parallely in selected columns, and did cloud feedback studies on aqua-planet setup to evaluate the classical parameterization on a small domain. The micro-scale model may be run in parallel with the classical parameterization, or it may be run on a "physics grid" independent of the dynamics grid.

The work reported in this presentation was establishing a theoretical procedure to identify most potential candidates of CO{sub 2} solid sorbents from a large solid material databank; and to explore the optimal working conditions for the promised CO{sub 2} solid sorbents and provide guidelines to the experimentalists. Our methodology can predict thermodynamic properties of solid materials and their CO{sub 2} capture reactions. Single solid may not satisfy the industrial operating conditions as CO{sub 2} sorbent, however, by mixing two or more solids, the new formed solid may satisfy the industrial needs. By exploring series of lithium silicates with different Li{sub 2}O/SiO{sub 2} ratio, we found that with decreasing Li{sub 2}O/SiO{sub 2} ratio the corresponding silicate has a lower turnover temperature and vice versa. Compared to pure MgO, the Na{sub 2}CO{sub 3}, K{sub 2}CO{sub 3} and CaCO{sub 3} promoted MgO sorbent has a higher turnover T. These results provide guidelines to synthesize sorbent materials by mixing different solids with different ratio.

The work reported in this presentation was establishing a theoretical procedure to identify most potential candidates of CO{sub 2} solid sorbents from a large solid material databank; and to explore the optimal working conditions for the promised CO{sub 2} solid sorbents and provide guidelines to the experimentalists. Our methodology can predict thermodynamic properties of solid materials and their CO{sub 2} capture reactions. Single solid may not satisfy the industrial operating conditions as CO{sub 2} sorbent, however, by mixing two or more solids, the new formed solid may satisfy the industrial needs. By exploring series of lithium silicates with different Li{sub 2}O/SiO{sub 2} ratio, we found that with decreasing Li{sub 2}O/SiO{sub 2} ratio the corresponding silicate has a lower turnover temperature and vice versa. Compared to pure MgO, the Na{sub 2}CO{sub 3}, K{sub 2}CO{sub 3} and CaCO{sub 3} promoted MgO sorbent has a higher turnover T. These results provide guidelines to synthesize sorbent materials by mixing different solids with different ratio.

None