| Application of Quantum Chemical Approximations to Environmental Problems: Prediction of Water Solubility for Nitro Compounds |
10-Nov-2009 |
9 pages |
| Authors:
Mohammad Qasim; Jerzy Leszczynski; Yana A Kholod; Eugene N Muratov; Leonid G Gorb; Frances C Hill; Anatoly G Artemenko; Victor E Kuz'min; JACKSON STATE UNIV MS DEPT OF CHEMISTRY
|
 | Water solubility values for 27 nitro compounds with experimentally measured values were computed using the conductor-like screening model for real solvent (COSMO-RS) based on the density functional theory and COSMO technique. We have found that the accuracy of the COSMO-RS approach for prediction of water solubility of liquid nitro compounds is impressively high (the errors are lower than 0.1 LU). However, for some solid nitro compounds, especially nitramines, there is ... |
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| 3-D Metal-Organic Framework Based on Cationic 2-D Cuprate Layers: Cu3(OH)4[C10H6(SO3)2] |
10-Nov-2009 |
7 pages |
| Authors:
Deryn Chu; Dat T Tran; Natasha A Chernova; Allen G Oliver; Scott R Oliver; ARMY RESEARCH LAB ADELPHI MD
|
| We describe herein a three-dimensional Cu(II) based metal-organic framework, copper hydroxide 2,6-naphthalenedisulfonate, Cu3(OH)4[C10H6(SO3)2]. The compound contains embedded positively charged 2-D copper oxide layers. This higher dimensionality of inorganic connectivity leads to far greater thermal stability (375-deg C vs 245-deg C) over our previously reported three-dimensional metal-organic framework containing embedded 1-D cuprate chains. The structure, crystallinity, morphology, and properties of the material are discussed. The magnetic susceptibility exhibits a broad maximum ... |
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| Discrete Optimization of Electronic Hyperpolarizabilities in a Chemical Subspace |
04-Nov-2009 |
10 pages |
| Authors:
Jan Andzelm; Adam Rawlett; Weitao Yang; B C Rinderspacher; Joseph Dougherty; David N Beratan; ARMY RESEARCH LAB ABERDEEN PROVING GROUND MD
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| We introduce a general optimization algorithm based on an interpolation of property values on a hypercube. Each vertex of the hypercube represents a molecule, while the interior of the interpolation represents a virtual superposition (alchemical mutation) of molecules. The resultant algorithm is similar to branch-and-bound/tree-search methods. We apply the algorithm to the optimization of the first electronic hyperpolarizability for several tolane libraries. The search includes structural and conformational information. Geometries ... |
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| Characterization of the Nonlinear Viscoelastic and Adhesive Properties of Polyurea and Characterization of Polyurea-Clad Metallic Structures |
14-Oct-2009 |
121 pages |
| Authors:
K Ravi-Chandar; K M Liechti; TEXAS UNIV AT AUSTIN CENTER FOR MECHANICS OF SOLIDS STRUCTURES AND MATERIALS
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| This report describes an experimental effort to characterize the viscoelastic properties of polyurea and the failure of ductile materials at high strain rates. The viscoelastic properties of cast polyurea were determined under monotonic loading conditions, both in the confined compression and Arcan shear configurations. The nonlinear viscoelastic properties have been determined and validated by predicting the large deformation compression behavior. Expanding ring experiments were performed on Al 6061-O, Al 1100-H14 ... |
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| In Situ Studies of the Decomposition of Simulated Chemical Warfare Agents on Nanoparticle Catalysts |
04-Oct-2009 |
88 pages |
| Authors:
Donna A Chen; SOUTH CAROLINA UNIV COLUMBIA OFFICE OF SPONSORED PROGRAMS
|
| Over the course of this grant, three main projects were conducted in to gain a better understanding of the decomposition of sulfur and phosphorus-based chemical warfare agents. The first project involved studies of the thermally-activated decomposition of dimethyl methylphosphonate (DMMP) on bimetallic Au-Pt clusters; one of the main problems with transition metal catalysts is that phosphorus is difficult to remove from the surface and poisons that catalyst for further reaction. ... |
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| Processing for Highly Efficient AlGaN/GaN Emitters |
09-Sep-2009 |
14 pages |
| Authors:
Ilesanmi Adesida; ILLINOIS UNIV AT URBANA-CHAMAPAIGN
|
| The fabrication of high-quality ohmic contacts on n- and p-type (Al,In)GaN is essential for improving the performance of optoelectronic devices, such as blue light emitting diodes, metal-semiconductor field effect transistors, HEMTs, and laser diodes. In particular, to realize solid-state UV emitters for chembioagent detection and general lighting, the formation of reliable ohmic contact systems for both n- and p-AlGaN with relatively high Al contents are indispensable. In conjunction with efforts ... |
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| Investigation of Proton Conductivity of Cation-Exchanged, Sulfonated Poly(b-Styrene-b-Isobutylene-b-Styrene) Membranes |
Sep-2009 |
26 pages |
| Authors:
Eugene Napadensky; ARMY RESEARCH LAB ABERDEEN PROVING GROUND MD
|
| In this study, membranes made with highly sulfonated (81%-97%) poly(styrene-b-isobutylene-b-styrene) polymer were exchanged with a variety of cations: Cu, Ba, Zn, Cs, Ag, Ca, and Mg. Absorption levels of the cation-exchanged materials was determined for water, methanol, and an equimolar water/methanol mixture, measured using a gravimetric technique. Proton conductivity of the membranes was measured in a dry state, as well as swollen in water, methanol, and the equimolar water /methanol ... |
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| Mechanisms of Aging of Phosphylated Serine Hydrolases |
25-Aug-2009 |
16 pages |
| Authors:
Rudy J Richardson; Sanjeeva J Wijeyesakere; MICHIGAN UNIV ANN ARBOR
|
| The overall goal was to study mechanisms of aging of serine esterases inhibited by organophosphorus compounds capable of producing acute and delayed neurotoxicity. Acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and neuropathy target esterase catalytic domain (NEST) were reacted with diisopropylphosphorofluoridate (DFP) and N,N'-diisopropylphosphorodiamidofluoridate (mipafox, MlP). Bimolecular rate constants of inhibition and first-order rate constants of aging were determined colorimetrically. Phosphyl adducts of inhibited and aged. |
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| The Role of eIF4E Activity in Breast Cancer |
Aug-2009 |
12 pages |
| Authors:
Thomas A Hughes; L A Coleman; S Satheesha; LEEDS UNIV (UNITED KINGDOM)
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| Increased eIF4E expression occurs in many breast cancers and makes fundamental contributions to carcinogenesis by stimulating expression of cancer-related genes at post-transcriptional levels. This key role is highlighted by the facts that eIF4E levels can predict prognosis and that eIF4E is an established therapeutic target. However, eIF4E activity is a complex function of expression levels and phosphorylation statuses of eIF4E and its regulatory proteins. Our hypothesis was that combined analyses ... |
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| Combination Sorbent and Reactive Chemistries for Use in Highly Efficient Aerobic Oxidations (W911NF0510081) |
14-Jul-2009 |
12 pages |
| Authors:
Michel R Gagne; NORTH CAROLINA UNIV AT CHAPEL HILL
|
| The purpose of this work was to investigate the possibility of utilizing metalloporphyrins as the catalysts for aerobic oxidation of alcohols, We proposed to investigate the catalytic activity of the metalloporphyrins in solution and in a polymer-supported form. The porous polymer was anticipated to concentrate substrates, especially in the inflammable fluorinated solvents. Since oxygen solubility in fluorinated solvent is several times higher than in nonfluorous organic solvents, such systems were ... |
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| Electronic Structure in Thin Film Organic Semiconductors |
27-Jun-2009 |
9 pages |
| Authors:
Kevin E Smith; BOSTON UNIV MA
|
| Despite the technological and scientific importance of semiconducting organic materials, there have been few studies of their valence band electronic structure using modern synchrotron radiation-based spectroscopic methods. The combination of high resolution soft x-ray emission, soft x-ray absorption, and high resolution photoemission spectroscopy was used in this program to measure the detailed electronic structure of a selection of organic semiconductor thin films. The films were grown in a custom built ... |
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| Influence of Gas Feed Composition and Pressure on the Catalytic Conversion of CO2 to Hydrocarbons Using a Traditional Cobalt-Based Fischer-Tropsch Catalyst |
25-Jun-2009 |
7 pages |
| Authors:
Heather D Willauer; Dennis R Hardy; Frederick W Williams; Robert W Dorner; Burton H Davis; NAVY TECHNOLOGY CENTER FOR SAFETY AND SURVIVABILITY WASHINGTON DC
|
| The hydrogenation of CO2 using a traditional Fischer-Tropsch Co-Pt/Al2O3 catalyst for the production of valuable hydrocarbon materials is investigated. The ability to direct product distribution was measured as a function of different feed gas ratios of H2 and CO2 (3:1, 2:1, and 1:1) as well as operating pressures (ranging from 450 to 150 psig). As the feed gas ratio was changed from 3:1 to 2:1 and 1:1, the production distribution ... |
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| Next Generation Highly Conducting Organic Films Using Novel Donor-Acceptor Molecules for Opto-Electronic Applications |
Jun-2009 |
16 pages |
| Authors:
Eric Forsythe; Jianmin Shi; David Morton; ARMY RESEARCH LAB ADELPHI MD SENSORS AND ELECTRON DEVICES DIRECTORATE
|
| This two-year DRI is intended to address the Army's need for two-dimensional, conformal, large-area electronics by developing techniques that will lead to the printing of conducting organic materials as a primary build-block that will enable such low-cost, large area applications. In the first year, we worked on developing novel organic based molecules using the donor-acceptor design concepts and developing a more fundamental understanding of donor acceptor molecule stacking in order ... |
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| The New Chemistry of C2 |
Jun-2009 |
78 pages |
| Authors:
Kevin J Cogan; William O Waddell; ARMY WAR COLL CARLISLE BARRACKS PA CENTER FOR STRATEGIC LEADERSHIP
|
| Drs. David Alberts and Richard Hayes' book Understanding Command and Control states that the purpose of C2 has remained unchanged since the earliest military forces engaged. But implementing C2 effectively now in the era of transformation can break traditional notions by envisioning a chemical model which incorporates emerging and disruptive technologies arriving at exponentially faster rates. Like carbon chains in organic chemistry, the military C2 organization has grown by adding ... |
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| Mercapto-Oximes as Capture Molecules for Detection of Nerve Agents Using Surface-Enhanced Raman Spectroscopy |
Jun-2009 |
17 pages |
| Authors:
H D Durst; Kato L Killops; Roderick A Fry; William R Creasy; Jason A Guicheteau; CALIFORNIA UNIV SANTA BARBARA
|
| Two compounds, 4-methylthiobenzaldehyde oxime and 4-thiobenzaldehyde oxime, were synthesized for use as capture molecules for applications using surface-enhanced Raman as a means of detection. The thioether moiety was successfully attached to the silver nanoparticle substrate as evidenced by the change in the resulting spectrum. The oxime was shown to be reactive toward the nerve agent GD (Soman) in basic solution, as monitored by (31)P NMR. |
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| Investigation of the Spectroscopy and Kinetics of Transient Intermediates of Importance in the Decomposition of Energetic Materials |
27-May-2009 |
6 pages |
| Authors:
Paul J Dagdigian; JOHNS HOPKINS UNIV BALTIMORE MD
|
| Infrared (IR) laser spectroscopy has been employed for both the spectroscopic and kinetic study of transient intermediates of importance in the decomposition of energetic materials using cavity ring-down spectroscopy (CRDS) and for the detection of organic residues, including energetic materials, by laser-induced breakdown spectroscopy (UBS) with infrared laser irradiation. CRDS in the hydride stretching region of the IR was employed to study the thermal decomposition of methyl azide to form ... |
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| Environmentally Friendly Cleaners for Removing Tar from Metal Surfaces |
Apr-2009 |
99 pages |
| Authors:
Wayne Ziegler; Joyce C Baird; Veera M Boddu; Pam Khabra; ENGINEER RESEARCH AND DEVELOPMENT CENTER CHAMPAIGN IL CONSTRUCTION ENGINEERING RESEARCH LAB
|
| As part of its mission, the Sustainable Painting Operations for the Total Army (SPOTA) working group evaluated solvents that will not impact the environment while cleaning armament equipment, in particular ground vehicles. ERDC-CERL researchers, in support of the SPOTA program, were tasked with conducting a preliminary study and develop a methodology to evaluate environmentally friendly cleaners that would be effective in cleaning road tar on military vehicles. The study involved ... |
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| Field-Scale Evaluation of Monitored Natural Attenuation for Dissolved Chlorinated Solvent Plumes |
Apr-2009 |
455 pages |
| Authors:
PARSONS ENGINEERING SCIENCE INC DENVER CO
|
| The methodology, case-study examples, and recommendations described in this report are intended to provide restoration program managers, their support staff, and the regulatory community with descriptions of methods and tools that can be used to advance the state-of-practice for monitoring and documenting the long-term sustainability of monitored natural attenuation (MNA)-based remedies for chlorinated solvent-impacted groundwater. Specifically, this report 1) presents a strategy and framework for quantitatively assessing the sustainability of ... |
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| A New Paradigm in Modeling and Simulations of Complex Oxidation Chemistry Using a Statistical Approach |
31-Mar-2009 |
66 pages |
| Authors:
Josette Bellan; CALIFORNIA INST OF TECH PASADENA
|
| This report describes a study performed under ARO sponsorship, addressing the investigation of a novel way to reduce complex and extensive oxidation reaction mechanisms containing hundreds of species to a much smaller number of progress variables, typically by a factor of ten. Because the results have been documented in several manuscripts, this final report is in the form of an Executive Summary succinctly describing the results and putting them in ... |
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| Synthesis of Polyimides Produced from Novel High Temperature Polyhedral Oligomeric Silsesquioxane Dianilines |
26-Mar-2009 |
3 pages |
| Authors:
Vandana Vij; Joseph M Mabry; Timothy S Haddad; Gregory R Yandek; AIR FORCE RESEARCH LAB EDWARDS AFB CA PROPULSION DIRECTORATE
|
| Polyimides (PIs) are used extensively in a variety of applications such as circuit-printing films and semiconductor coatings in the microelectronics industry, spacecraft materials including solar arrays, thermal insulation blankets, and space inflatable structures, and in components in modern aircraft. PIs are well known for their thermal stability but are prone to long-term oxidative degradation and are notorious for having hydrothermal issues, especially when used in fiber-reinforced composites. A potential approach ... |
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| Pairing Heterocyclic Cations with closo-Icosahedral Borane and Carborane Anions. I. Benchtop Aqueous Synthesis of Binary Triazolium and Imidazolium Salts with Limited (Preprint) |
03-Mar-2009 |
28 pages |
| Authors:
Stefan Schneider; Jerry A Boatz; Scott A Shackelford; John L Bellatire; Amanda K Wheaton; Herman L Ammon; Steven H Strauss; AIR FORCE RESEARCH LAB EDWARDS AFB CA PROPULSION DIRECTORATE
|
| Tailoring the chemical and physical properties of molecular materials by rational design to increase density, reduce toxicity, or to improve overall stability characteristics continues to be an important research endeavor. Achieving this by the structural modification of neutral organic compounds offers a limited scope of opportunities. Organic-like solid and liquid salts significantly enhance this flexibility for properties tailoring by pairing different classical heterocyclic cations with a plethora of different counteranions. ... |
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| Chelating Polymers and Environmental Remediation |
Mar-2009 |
22 pages |
| Authors:
Nicole E Zander; DYNAMIC SCIENCE INC PHOENIX AZ
|
| Although there are many approaches to clean up wastewater and soil contaminated with heavy metals and other industrial pollutants, remediation with chelating polymers is one of the most versatile and inexpensive methods. The polymer ligand's efficiency and selectivity for particular metal ions are two important parameters that can be controlled by ligand type, ligand density, solubility of the polymer, as well as operating pH. An overview of remediating polymers and ... |
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| A Proteomic Approach to Identify Phosphorylation-Dependent Targets of BRCT Domains |
Mar-2009 |
43 pages |
| Authors:
Zhou Songyang; BAYLOR COLL OF MEDICINE HOUSTON TX
|
| The importance of protein phosphorylation to breast cancer has been reaffirmed by recent findings that the BRCA1 C-terminal (BRCT) domains are novel phosphopeptide binding modules. Cancer-associated missense and deletion mutations have been found in the BRCT repeat regions of BRCA1, suggesting an essential role of BRCT domains in regulating BRCA1 activity. In addition, BRCT domains are found in many proteins that regulate DNA damage repair, cell cycle, and genome stability, ... |
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| Investigation on the Solubility of GaN in Supercritical Ammonia Containing Acidic, Neutral, and Some Basic Mineralizers |
19-Feb-2009 |
5 pages |
| Authors:
Dirk Ehrentraut; TOHOKU UNIV SENDAI (JAPAN)
|
| The ammonothermal growth technique to fabricate large size (2 inch) gallium nitride (GaN) crystals has recently seen increased interest due to the achievements in the technique published over the last 2-3 years. The first ever 2 inch GaN bulk crystal, to be reported in the April 2009 issue of MRS Bulletin, holds the great promise that ammonothermally produced GaN may become an important GaN substrate material due to the superior ... |
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| The Oxidation of a Gasoline Surrogate in the Negative Temperature Coefficient Region |
12-Feb-2009 |
17 pages |
| Authors:
David B Lenhert; David L Miller; Nicholas P Cernansky; Kevin G Owens; DREXEL UNIV PHILADELPHIA PA DEPT OF MECHANICAL ENGINEERING AND MECHANICS
|
| This experimental study investigated the preignition reactivity behavior of a gasoline surrogate in a pressurized flow reactor over the low and intermediate temperature regime (600-800 K) at elevated pressure (8 atm). The surrogate mixture, a volumetric blend of 4.6% 1-pentene, 31.8% toluene, 14.0% n-heptane, and 49.6% 2,2,4-trimethyl-pentane (iso-octane), was shown to reproduce the low and intermediate temperature reactivity of full boiling range fuels in a previous study. Each of the ... |
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| Programmatic Summary: Self-Regulating, Self-Pressurizing Tubules for Integrated Circulatory Systems |
Feb-2009 |
16 pages |
| Authors:
P J Costanzo; P T Dirlam; J A Orlicki; G Palmese; E D Wetzel; DREXEL UNIV PHILADELPHIA PA DEPARTMENT OF CHEMICAL AND BIOLOGICAL ENGINEERING
|
| In this Director's Research Initiative (DRI) effort, we have developed surface treatments with cleavable Diels-Alder bonds that allow for a transition between wetting and non-wetting conditions via a combination of thermal and chemical treatments. These treatments are applied internally to glass capillaries to demonstrate the applicability of the technique for regulating flow in synthetic vascular systems. This report is a programmatic summary and will be supplemented by a complete technical ... |
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| Genesis of Infrared Decoy Flares: The Early Years from 1950 into the 1970s. First Edition |
26-Jan-2009 |
186 pages |
| Authors:
Bernard E Douda; NAVAL SURFACE WARFARE CENTER CRANE DIV IN
|
| The evolution of decoy flares did not follow a direct or pre-planned path. Instead, the development was influenced by many factors and requirements existing at the time. One of the most important of these is that the Naval Ordnance Test Station (NOTS), Inyokern China Lake, California had an assigned mission to develop rockets and missiles. This mission became the basis for the requirement that drove flare developments. Fortunately there were ... |
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| Development of a Mouse Model for Prostate Cancer Imaging and Study of Disease Progression |
Jan-2009 |
11 pages |
| Authors:
Isla Garraway; CALIFORNIA UNIV LOS ANGELES
|
| Prostate carcinogenesis is a multi-step process resulting in the transformation of prostatic epithelial cells into invasive carcinoma and metastasis. In recent years, mouse models have emerged that recapitulate salient features of prostate carcinogenesis found in human disease. These models illuminate the molecular events that result in transformation and disease progression. In addition, mouse models can be used to identify molecular targets and test chemotherapeutic agents that may alter the course ... |
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| A Probabilistic Risk Assessment for Deployed Military Personnel After the Implementation of the Leishmaniasis Control Program at Tallil Air Base, Iraq |
Jan-2009 |
11 pages |
| Authors:
Schleier; Jerome J III; Robert K Peterson; Paula A Macedo; Ryan S Davis; Loren M Barber; MONTANA STATE UNIV BOZEMAN DEPT OF LAND RESOURCES AND ENVIRONMENTAL SCIENCES
|
| Leishmaniasis has been of concern to the U.S. military and has re-emerged in importance because of recent deployments to the Middle East. We conducted a retrospective probabilistic risk assessment for military personnel potentially exposed to insecticides during the Leishmaniasis Control Plan (LCP) undertaken in 2003 at Tallil Air Base, Iraq. We estimated acute and subchronic risks from resmethrin, malathion, piperonyl butoxide (PBO), and pyrethrins applied using a truckmounted ultra-low-volume (ULV) ... |
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| Quantifying In Situ Metal and Organic Contaminant Mobility in Marine Sediments |
Jan-2009 |
45 pages |
| Authors:
Stephen Lieberman; Bart Chadwick; ENVIRONMENTAL SECURITY TECHNOLOGY CERTIFICATION PROGRAM OFFICE (DOD) ARLINGTON VA
|
| Contaminants enter shallow coastal waters from many sources, including ships, shoreside facilities, municipal outfalls, spills, and nonpoint source runoff. Sediments are typically considered a primary sink for these contaminants. Sediments in many bays, harbors, and coastal waters used by the Department of Defense (DoD) are contaminated with potentially harmful metal and organic compounds. DoD is required by the Comprehensive Environmental Resource Conservation and Liability Act (CERCLA), as amended by the ... |
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| Synthesis, Morphological and Electrical Characterization of Solution Processable Low Bandgap Organic Materials |
05-Dec-2008 |
18 pages |
| Authors:
Zhenan Bao; STANFORD UNIV CA DEPT OF CHEMICAL ENGINEERING
|
| The objectives of this research was to develop the chemistry for the synthesis of a new class of pentacene and tetracene containing polymers and oligomers. These materials were designed to have low bandgap and high charge carrier mobility. The general synthetic routes were developed for this class of materials. The synthesized new molecules and polymers were used for structural property relation studies to understand the effect of molecular structure on ... |
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| Defining B. Anthracis Protective Antigen Antigenic Domains |
01-Dec-2008 |
6 pages |
| Authors:
Arturo Casadevall; ALBERT EINSTEIN SCHOOL OF MEDICINE BRONX NY
|
| The US Army faces the threat of biological warfare with Bacillus anthracis spores. Although there is a vaccine available (AVA vaccine) this formulation is poorly immunogenic, has questionable efficacy in some hosts, and is associated with significant side effects. The most important antigen in this vaccine is a component of anthrax toxin known as protective antigen (PA). However, this protein can also elicit potentially deleterious antibodies. This research program seeks ... |
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| Controlling Ethylene for Extended Preservation of Fresh Fruits and Vegetables |
Dec-2008 |
6 pages |
| Authors:
Peter Lavigne; Zach Patterson; Shubham Chandra; Derek Affonce; Karen Benedek; Phil Carbone; ARMY NATICK RESEARCH DEVELOPMENT AND ENGINEERING CENTER MA
|
| This paper describes work conducted to enhance the quality of fresh produce delivered to troops around the world. Specifically, the program objective is to control ethylene produced by fresh fruits and vegetables (FF&V) in refrigerated containers with the use of a novel Ethylene Elimination Unit (EEU). This paper describes the analytical, experimental, and design work conducted to establish the feasibility of the EEU. Analytical modeling and process simulation were used ... |
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| PRO-2-PAM: The First Therapeutic Drug for Reactivation of Organo-Phosphate-Inhibited Central (Brain) and Peripheral Cholinesterases |
Dec-2008 |
9 pages |
| Authors:
K; Farhat A Khan; Latoya A Hyson; Angela R Davis; James C DeMar; Ruthie H Ratchiffe; Roberta R Owens; Amy J Campbell; Richard Gordon; Madhusoodana P Nambiar; Elizabeth Marek; WALTER REED ARMY INST OF RESEARCH SILVER SPRING MD
|
| Due to the documented use of organophosphorus (OP) chemical agents in warfare and by terrorists around the globe, Federal, State, and local authorities need novel therapeutics to overcome their deleterious effects. OPs inhibit cholinesterases (ChE), leading to accumulation of the neurotransmitter acetylcholine (ACh). Potentially lethal effects begin with secretion, muscle fasciculation, and paralysis in the peripheral nervous system (PNS). Central nervous system (CNS) perturbations include epileptic seizures leading to neuronal ... |
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| Quantum Dot / Optical Protein Bio-Nano Hybrid System for Biosensing Applications |
Dec-2008 |
6 pages |
| Authors:
M Griep; D Lueking; R Mackay; G Mallick; S Karna; C Friedrich; MICHIGAN TECHNOLOGICAL UNIV HOUGHTON DEPT OF MECHANICAL ENGINEERING AND ENGINEERING MECHANICS
|
| The unique energy transfer interaction between the optical protein bacteriorhodopsin (bR) and CdSe/ZnS quantum dots (QDs) provides a potential modulation mechanism for bio-nano electronic application. We have utilized ionic-self assembled monolayer (I-SAM) techniques to create a novel alternating monolayer system of QDs and bR on a conductive ITO substrate. Results demonstrate the ability to efficiently create bR/QD multilayer films along with the ability to control bR/QD spacing on the nanometer ... |
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| Nanosensors for Detection of Biological Threat Contaminants in Critical Buildings |
Dec-2008 |
9 pages |
| Authors:
Ashok Kumar; Andrew Nelson; Larry D Stephenson; Elizabeth Norton; Jeremy Hale; CONSTRUCTION ENGINEERING RESEARCH LAB (ARMY) CHAMPAIGN IL
|
| A nanoscale sensing modality for detection of bacterial contaminants was developed. The modality uses fluorescent nanoparticles, also known as 'Quantum dots' (QDs) conjugated to fragmented antibodies of targeted contaminants, and a quenching dye that labels an antigen surrogate. Coupling of the QD-labeled fragmented antibody and the quencher-labeled antigen allows sufficient fluorescent resonance energy transfer (FRET) to quench QD emissions. The subsequent addition of the targeted antigen displaces the dye-labeled bacteria, ... |
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| Preparation of Insensitive RDX From Crude RDX Using an Antisolvent Phase Separation Process |
Dec-2008 |
4 pages |
| Authors:
Reddy Damavarapu; Veera M Boddu; Abburi Krishnaiah; CONSTRUCTION ENGINEERING RESEARCH LAB (ARMY) CHAMPAIGN IL
|
| This paper describes the separation of two of the most widely used explosive compounds, RDX (1,3,5-Trinitro-1,3, 5-triazacyclohexane) and HMX (1,3,5,7-tetranitro-1,3,5,7- tetraazacyclooctane). A simple antisolvent phase separation process to obtain more than 99 % pure RDX from an explosive mixture consisting of RDX (approx. 90 %) and HMX (approx. 10 %) was developed. The process does not require modifications to the existing RDX manufacturing process, and only minimal amounts of new ... |
|
| Epigenetic Characterization of Ovarian Cancer |
Dec-2008 |
105 pages |
| Authors:
Susan K Murphy; DUKE UNIV MEDICAL CENTER DURHAM NC
|
| The overall objective of this research was to identify genes that are aberrantly methylated in epithelial ovarian cancer. Our approach was to treat or mock treat primary normal or tumor cultured cells with drugs that inhibit DNA methyltransferase activity and then perform microarray analysis to identify genes that are likely to exhibit methylation-mediated silencing. We also employed similar analysis of 43 ovarian cell lines. Two major criteria identified genes likely ... |
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| An Efficient Synthesis of Dicycloalkylacetylenes: 1,2-Dicyclopropylethyne and (cyclopropylethynyl)cyclobutane (Preprint) |
05-Nov-2008 |
15 pages |
| Authors:
Suresh C Suri; Jacob C Marcischak; AIR FORCE RESEARCH LAB EDWARDS AFB CA SPACE AND MISSILE PROPULSION DIV
|
| Lithium acetylides, generated from terminal acetylenes with n-BuLi in THF at -70 degrees C, react chemoselectively with omega-haloalkyl tosylate in the presence of 10 mole % of Bu4I at 70 degrees C to furnish omega-haloalkyl acetylenes in very good yields. The omega-haloalkyl acetylenes were subject to intra-molecular alkylation with LDA to provide dicycloalkylethyne. |
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| Observation of Nonlinear Transmission Enhancement in Cavities Filled With Nonlinear Organic Materials |
01-Nov-2008 |
|
| Authors:
Nasser Peyghambarian; ChuanXiang Sheng; Jayan Thomas; Brian Kimball; Dan T Nguyen; Robert Norwood; Diane M Steeves; ARIZONA UNIV TUCSON
|
 | We show experimental and theoretical results for enhancement of nonlinear transmission (NT) in moderate finesse cavities filled with nonlinear organic materials (NLOM). Our design for enhancement of nonlinear transmission using micro NLOM cavities compared with reference samples of the same material show that single cavities can enhance the nonlinear response by a factor of 10 or greater under high-absorption conditions. Further enhancement can be achieved in multiple-cavity structures. Other advantages ... |
|
| Ultra-Sensitive Biological Detection via Nanoparticle-Based Magnetically Amplified Surface Plasmon Resonance (Mag-SPR) Techniques |
08-Oct-2008 |
61 pages |
| Authors:
Jinwoo Cheon; Jong Kim; H T Hahn; Donghoon Choi; Kunhong Lee; A P Alivisatos; A J Steckl; Sang-gi Lee; YONSEI UNIV SEOUL (REPUBLIC OF KOREA)
|
| The report contains final reports from four separate projects co-funded by AFOSR/AOARD and Korean MEST. The four projects were (1) Ultra-Sensitive Biological Detection via Nanoparticle-Based Magnetically Amplified Surface Plasmon Resonance (Mag-SPR) Techniques; (2) Electronic, Photonic and Magnetic Properties of Natural and Modified DNA Complexes with Heavy Metals Ions; (3) Hierarchical Carbon Fiber Composites; and (4) Distributed Detection of Attacks/Intrusions and Prevention of Resource-Starvation Attacks in Mobile Ad Hoc Networks. |
|
| Generating Graphene Nanosheet Electrodes for Electroanalysis and Fuel Cells |
08-Oct-2008 |
16 pages |
| Authors:
Changming Li; Shu-Juan Bao; Chun-Xian Guo; Jun Guo; Fengping Hu; NANYANG TECHNOLOGICAL UNIV (SINGAPORE)
|
| This report covers development of carbon layers for electronic devices. It consists of two main chapters. The first is titled "Novel Mesoporous Carbon and Its Direct Electrochemistry Based Biosensor." The second is tilted "Mesoporous Organic Polymer-Carbon Nanocomposites for High Enzymatic Glucose/02 Fuel Cells." |
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| DNA Methylation as an Epigenetic Factor in the Development and Progression of Polycythemia Vera |
Oct-2008 |
34 pages |
| Authors:
Jean-Pierre Issa; M D ANDERSON CANCER CENTER HOUSTON TX
|
| Polycythemia vera (PV) is the most common myeloproliferative disorder with a yearly incidence of 28 per 1 million people and a slightly higher prevalence in males. PV is characterized by clonal expansion of erythroid, myelomonocytic, and megakaryocytic lineages, erythrocytosis being the most prominent clinical manifestation of PV. The disease is associated with a significant morbidity and mortality, including thrombotic and/or hemorrhagic events, and a risk of an evolution into myelofibrosis ... |
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| Hydrophobic Silsesquioxane Nanoparticles and Nanocomposite Surfaces |
23-Sep-2008 |
13 pages |
| Authors:
Darrell Marchant; Ashwani Vij; Isha Vij; Scott Iacono; Joseph M Mabry; Brent D Viers; Wade W Grabow; Patrick N Ruth; AIR FORCE RESEARCH LAB EDWARDS AFB CA PROPULSION DIRECTORATE
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| Fluorinated Polyhedral Oligomeric Silsesquioxanes are hydrophobic nanoparticles. One compound, FD8T8, is ultrahydrophobic, possessing a water contact angle of 154-deg. This is believed to be the most hydrophobic and lowest surface tension crystalline substance known. Analysis of the x-ray crystal structure indicates a large number of Si-deg F contacts may lead to ultrahydrophobicity. |
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| Terahertz Plasmon-Induced Conductance Effects in Semiconductor Heterostructures |
05-Sep-2008 |
27 pages |
| Authors:
Robert E Peale; UNIVERSITY OF CENTRAL FLORIDA ORLANDO
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| Experimental investigation of the coupling of free space radiation to surface plasmons by silver or Pd2Si gratings was performed for different grating profiles at CO2 laser wavelengths. Comparison of the results with the theory of Hessel and Liner 1965 and of Wheeler, Arakawa, and Ritchie 1976 suggests that the former gives the more accurate description in the long-wave IR. For that theory, the comparison gives an empirical non-linear relation between ... |
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| Diamond-Like and Self-Assembling Organic Nanostructures: Measurement and Simulation of Intermolecular Interactions and Structural Characteristics |
Sep-2008 |
6 pages |
| Authors:
Guoping Zhang; Thomas F George; Lahsen Assoufid; G A Mansoori; MISSOURI UNIV-ST LOUIS
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| Our experimental and theoretical objectives have focused on adamantane, the first diamondoid. This compound gives us substantial detailed information about the interaction between carbon-carbon, carbon-hydrogen, and hydrogen-hydrogen atoms. This has provided a first test case for the theoretical teams at the University of Missouri-St. Louis and Indiana State University to accurately measure and compute the electronic structure and mechanical properties. The results have been compared with the existing model potentials, ... |
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| Computational Modeling of Light Induced Transformations in Organic Molecule |
31-Aug-2008 |
34 pages |
| Authors:
Boris Gelmont; Raphael Moon; VIRGINIA UNIV CHARLOTTESVILLE OFFICE OF SPONSORED PROGRAMS
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| The goal of this research is to investigate theoretically and experimentally the feasibility of a new Multi-State Spectral Sensing (MS3) concept where bio-signature information can be collected from multiple metastable conformations for enhanced sensing in the THz region. Several geometric isomeric molecular systems have been investigated including 2-butenes, retinals, and stilbenes, in order to (1) study THz spectra of different molecular conformation; (2) illustrate a basic procedure through which optical ... |
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| Influence of Transport Processes on Autoignition of High Molecular Weight Hydrocarbon Fuels in Nonpremixed Flows |
27-Aug-2008 |
18 pages |
| Authors:
Kalyanasundaram Seshadri; CALIFORNIA UNIV SAN DIEGO LA JOLLA
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| The objective of this research is to obtain an improved understanding of the influences of transport processes, chemical kinetics and flow characteristics on the mechanisms of autoignition of condensed (liquid) hydrocarbon fuels in nonpremixed, nonuniform flows. An experimental and numerical investigation is carried out. The condensed fuels tested are n-heptane and n-decane. Recent experimental investigation of autoignition of liquid hydrocarbon fuels, in particular n-heptane and n-decane, show that at low ... |
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| Bacterial Chemotaxis to Naphthalene and Nitroarene Compounds |
31-Jul-2008 |
27 pages |
| Authors:
Rebecca E Parales; Piper Wood; Christine Rabinovitch; Juanito V Parales; CALIFORNIA UNIV DAVIS
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| Bacteria that can both degrade and sense pollutants using chemotaxis may be more efficient in biodegradation. Ralstonia sp. U2 mineralizes naphthalene, and Acidovorax sp. JS42 utilizes the man-made compound 2-nitrotoluene (2NT). Capillary assays were performed with wild-type and catabolic and regulatory mutants of these strains. The results showed that wild-type Ralstonia sp. U2 is chemotactic to naphthalene, the chemotactic response is induced when cells are grown with naphthalene, and insertional ... |
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| Destruction Chemistry of Mustard Simulants |
04-Jul-2008 |
37 pages |
| Authors:
J W Bozzelli; F C Gouldin; E M Fisher; CORNELL UNIV ITHACA NY OFFICE OF SPONSORED PROGRAMS
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| This study investigates the destruction chemistry of organosulfur compounds under both pyrolytic and oxidative conditions. We focus on the destruction of alkyl sulfides that are surrogates for chemical warfare agents H, HD, and HT. We report our work on developing thermochemistry, reaction pathways and kinetic parameters for multiple chemical subsystems, using computational chemistry methods. We also report our experimental results from flow reactor experiments for pyrolysis and oxidation of two ... |
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Organic Chemistry
