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Sample records for detailed structural characterization

  1. Detailed glycan structural characterization by electronic excitation dissociation.

    PubMed

    Yu, Xiang; Jiang, Yan; Chen, Yajie; Huang, Yiqun; Costello, Catherine E; Lin, Cheng

    2013-11-01

    The structural complexity and diversity of glycans parallel their multilateral functions in living systems. To better understand the vital roles glycans play in biological processes, it is imperative to develop analytical tools that can provide detailed glycan structural information. This was conventionally achieved by multistage tandem mass spectrometry (MS(n)) analysis using collision-induced dissociation (CID) as the fragmentation method. However, the MS(n) approach lacks the sensitivity and throughput needed to analyze complex glycan mixtures from biological sources, often available in limited quantities. We define herein the critical parameters for a recently developed fragmentation technique, electronic excitation dissociation (EED), which can yield rich structurally informative fragment ions during liquid chromatographic (LC)-MS/MS analysis of glycans. We further demonstrate that permethylation, reducing end labeling and judicious selection of the metal charge carrier, can greatly facilitate spectral interpretation. With its high sensitivity, throughput, and compatibility with online chromatographic separation techniques, EED appears to hold great promise for large-scale glycomics studies. PMID:24080071

  2. Mass Spectrometric Characterization of Protein Structure Details Refines the Proteome Signature for Invasive Ductal Breast Carcinoma

    NASA Astrophysics Data System (ADS)

    Röwer, Claudia; Koy, Cornelia; Hecker, Michael; Reimer, Toralf; Gerber, Bernd; Thiesen, Hans-Jürgen; Glocker, Michael O.

    2011-03-01

    Early diagnosis as well as individualized therapies are necessary to reduce the mortality of breast cancer, and personalized patient care strategies rely on novel prognostic or predictive factors. In this study, with six breast cancer patients, 2D gel analysis was applied for studying protein expression differences in order to distinguish invasive ductal breast carcinoma, the most frequent breast tumor subtype, from control samples. In total, 1203 protein spots were assembled in a 2D reference gel. Differentially abundant spots were subjected to peptide mass fingerprinting for protein identification. Twenty proteins with their corresponding 38 differentially expressed 2D gel spots were contained in our previously reported proteome signature, suggesting that distinct protein forms were contributing. In-depth MS/MS measurements enabled analyses of protein structure details of selected proteins. In protein spots that significantly contributed to our signature, we found that glyceraldehyde-3-phosphate dehydrogenase was N-terminally truncated, pyruvate kinase M2 and nucleoside diphosphate kinase A but not other isoforms of these proteins were of importance, and nucleophosmin phosphorylation at serine residues 106 and 125 were clearly identified. Principle component analysis and hierarchical clustering with normalized quantitative data from the 38 spots resulted in accurate separation of tumor from control samples. Thus, separation of tissue samples as in our initial proteome signature could be confirmed even with a different proteome analysis platform. In addition, detailed protein structure investigations enabled refining our proteome signature for invasive ductal breast carcinoma, opening the way to structure-/function studies with respect to disease processes and/or therapeutic intervention.

  3. Aircraft empennage structural detail design

    NASA Technical Reports Server (NTRS)

    Meholic, Greg; Brown, Rhonda; Hall, Melissa; Harvey, Robert; Singer, Michael; Tella, Gustavo

    1993-01-01

    This project involved the detailed design of the aft fuselage and empennage structure, vertical stabilizer, rudder, horizontal stabilizer, and elevator for the Triton primary flight trainer. The main design goals under consideration were to illustrate the integration of the control systems devices used in the tail surfaces and their necessary structural supports as well as the elevator trim, navigational lighting system, electrical systems, tail-located ground tie, and fuselage/cabin interface structure. Accommodations for maintenance, lubrication, adjustment, and repairability were devised. Weight, fabrication, and (sub)assembly goals were addressed. All designs were in accordance with the FAR Part 23 stipulations for a normal category aircraft.

  4. Characterization of a bio-oil from pyrolysis of rice husk by detailed compositional analysis and structural investigation of lignin.

    PubMed

    Lu, Yao; Wei, Xian-Yong; Cao, Jing-Pei; Li, Peng; Liu, Fang-Jing; Zhao, Yun-Peng; Fan, Xing; Zhao, Wei; Rong, Liang-Ce; Wei, Yan-Bin; Wang, Shou-Ze; Zhou, Jun; Zong, Zhi-Min

    2012-07-01

    Detailed compositional analysis of a bio-oil (BO) from pyrolysis of rice husk was carried out. The BO was extracted sequentially with n-hexane, CCl(4), CS(2), benzene and CH(2)Cl(2). In total, 167 organic species were identified with GC/MS in the extracts and classified into alkanes, alcohols, hydroxybenzenes, alkoxybenzenes, dioxolanes, aldehydes, ketones, carboxylic acids, esters, nitrogen-containing organic compounds and other species. The benzene ring-containing species (BRCCs) were attributed to the degradation of lignin while most of the rests were derived from the degradation of cellulose and hemicellulose. Along with guaiacyl and p-hydroxyphenyl units as the main components, a new type of linkage was suggested, i.e., C(ar)-CH(2)-C(ar) in 4,4'-methylenebis(2,6-dimethoxyphenol). Based on the species identified, a possible macromolecular structure of the lignin and the mechanism for its pyrolysis are proposed. The BO was also extracted with petroleum ether in ca. 17.8% of the extract yield and about 82.1% of the extracted components are BRCCs. PMID:22609664

  5. A detailed examination of the growth of CdSe thin films through structural and optical characterization

    SciTech Connect

    Yükselici, M.H.; Aşıkoğlu Bozkurt, A.; Ömür, B. Can

    2013-07-15

    Highlights: ► Urbach tail width decreases by about 200 meV with the film thickness. ► A coefficient of strain of around 3 × 10{sup −3} along [0 0 2] axis was predicted. ► Compressive strain gives rise to about 11 meV red shift in the band gap energy. ► A relative shift of about 2 cm{sup −1} of LO{sub 1} phonon mode in Raman spectra was observed between different thickness films. - Abstract: Different thickness CdSe thin films were grown on glass substrates by physical vapor deposition and characterized by optical and structural investigations. Urbach energy related to the width of the optical absorption tail decreases from 430 meV for a film thickness of 50 nm to 200 meV for 450 nm. The film thickness dependent grain sizes were estimated by using effective mass model under quantum size effect from the shift of around 500 meV in the asymptotic absorption edge. The X-ray diffraction (XRD) pattern is consistent with CdSe hexagonal crystal structure which indicates crystal growth mode along c axis. XRD peaks broaden and shift depending on film thicknesses which are presumably due to strain and size effect. We observe both blue and red shift depending on thickness in Longitudinal Optical phonon frequency in Raman spectra with respect to that of the source CdSe powder which could also be due to strain on thin films and/or finite crystallite size. In this work we combine the results of optical absorption, Raman and XRD spectroscopies to study the evolution of grain size, strain and structural disorder depending on film thickness.

  6. Aircraft empennage structural detail design

    NASA Technical Reports Server (NTRS)

    Lesnewski, David; Snow, Russ M.; Combs, Lisa M.; Paufler, David; Schnieder, George; Athousake, Roxanne

    1993-01-01

    The purpose of this project is to provide an empennage structural assembly that will withstand the operational loads defined in FAR Part 23, as well as those specified in the statement of work, i.e. snow, rain, humidity, tiedown forces, etc. The goal is to provide a simple yet durable lightweight structure that will transfer the aerodynamic forces produced by the tail surfaces through the most efficient load path to the airframe. The structure should be simple and cost-effective to manufacture and repair. All structures meet or exceed loading and fatigue criteria. The structure provides for necessary stiffness and ease of maintenance.

  7. Structural Characterization by Cross-linking Reveals the Detailed Architecture of a Coatomer-related Heptameric Module from the Nuclear Pore Complex*

    PubMed Central

    Shi, Yi; Fernandez-Martinez, Javier; Tjioe, Elina; Pellarin, Riccardo; Kim, Seung Joong; Williams, Rosemary; Schneidman-Duhovny, Dina; Sali, Andrej; Rout, Michael P.; Chait, Brian T.

    2014-01-01

    Most cellular processes are orchestrated by macromolecular complexes. However, structural elucidation of these endogenous complexes can be challenging because they frequently contain large numbers of proteins, are compositionally and morphologically heterogeneous, can be dynamic, and are often of low abundance in the cell. Here, we present a strategy for the structural characterization of such complexes that has at its center chemical cross-linking with mass spectrometric readout. In this strategy, we isolate the endogenous complexes using a highly optimized sample preparation protocol and generate a comprehensive, high-quality cross-linking dataset using two complementary cross-linking reagents. We then determine the structure of the complex using a refined integrative method that combines the cross-linking data with information generated from other sources, including electron microscopy, X-ray crystallography, and comparative protein structure modeling. We applied this integrative strategy to determine the structure of the native Nup84 complex, a stable hetero-heptameric assembly (∼600 kDa), 16 copies of which form the outer rings of the 50-MDa nuclear pore complex (NPC) in budding yeast. The unprecedented detail of the Nup84 complex structure reveals previously unseen features in its pentameric structural hub and provides information on the conformational flexibility of the assembly. These additional details further support and augment the protocoatomer hypothesis, which proposes an evolutionary relationship between vesicle coating complexes and the NPC, and indicates a conserved mechanism by which the NPC is anchored in the nuclear envelope. PMID:25161197

  8. Aircraft wing structure detail design

    NASA Technical Reports Server (NTRS)

    Sager, Garrett L.; Roberts, Ron; Mallon, Bob; Alameri, Mohamed; Steinbach, Bill

    1993-01-01

    The provisions of this project call for the design of the structure of the wing and carry-through structure for the Viper primary trainer, which is to be certified as a utility category trainer under FAR part 23. The specific items to be designed in this statement of work were Front Spar, Rear Spar, Aileron Structure, Wing Skin, and Fuselage Carry-through Structure. In the design of these parts, provisions for the fuel system, electrical system, and control routing were required. Also, the total weight of the entire wing planform could not exceed 216 lbs. Since this aircraft is to be used as a primary trainer, and the SOW requires a useful life of 107 cycles, it was decided that all of the principle stresses in the structural members would be kept below 10 ksi. The only drawback to this approach is a weight penalty.

  9. Characterization of the structural details of residual austenite in the weld metal of a 9Cr1MoNbV welded rotor

    NASA Astrophysics Data System (ADS)

    Liu, Xia; Ji, Hui-jun; Liu, Peng; Wang, Peng; Lu, Feng-gui; Gao, Yu-lai

    2014-06-01

    The existence of residual austenite in weld metal plays an important role in determining the properties and dimensional accuracy of welded rotors. An effective corrosive agent and the metallographic etching process were developed to clearly reveal the characteristics of residual austenite in the weld metal of a 9Cr1MoNbV welded rotor. Moreover, the details of the distribution, shape, length, length-to-width ratio, and the content of residual austenite were systematically characterized using the Image-Pro Plus image analysis software. The results revealed that the area fraction of residual austenite was approximately 6.3% in the observed weld seam; the average area, length, and length-to-width ratio of dispersed residual austenite were quantitatively evaluated to be (5.5 ± 0.1) μm2, (5.0 ± 0.1) μm, and (2.2 ± 0.1), respectively. The newly developed corrosive agent and etching method offer an appropriate approach to characterize residual austenite in the weld metal of welded rotors in detail.

  10. Detailed Aerosol Characterization using Polarimetric Measurements

    NASA Astrophysics Data System (ADS)

    Hasekamp, Otto; di Noia, Antonio; Stap, Arjen; Rietjens, Jeroen; Smit, Martijn; van Harten, Gerard; Snik, Frans

    2016-04-01

    Anthropogenic aerosols are believed to cause the second most important anthropogenic forcing of climate change after greenhouse gases. In contrast to the climate effect of greenhouse gases, which is understood relatively well, the negative forcing (cooling effect) caused by aerosols represents the largest reported uncertainty in the most recent assessment of the International Panel on Climate Change (IPCC). To reduce the large uncertainty on the aerosol effects on cloud formation and climate, accurate satellite measurements of aerosol optical properties (optical thickness, single scattering albedo, phase function) and microphysical properties (size distribution, refractive index, shape) are essential. There is growing consensus in the aerosol remote sensing community that multi-angle measurements of intensity and polarization are essential to unambiguously determine all relevant aerosol properties. This presentations adresses the different aspects of polarimetric remote sensing of atmospheric aerosols, including retrieval algorithm development, validation, and data needs for climate and air quality applications. During past years, at SRON-Netherlands Instite for Space Research retrieval algorithms have been developed that make full use of the capabilities of polarimetric measurements. We will show results of detailed aerosol properties from ground-based- (groundSPEX), airborne- (NASA Research Scanning Polarimeter), and satellite (POLDER) measurements. Also we will discuss observational needs for future instrumentation in order to improve our understanding of the role of aerosols in climate change and air quality.

  11. Structural details, pathways, and energetics of unfolding apomyoglobin.

    PubMed

    Onufriev, Alexey; Case, David A; Bashford, Donald

    2003-01-17

    Protein folding is often difficult to characterize experimentally because of the transience of intermediate states, and the complexity of the protein-solvent system. Atomistic simulations, which could provide more detailed information, have had to employ highly simplified models or high temperatures, to cope with the long time scales of unfolding; direct simulation of folding is even more problematic. We report a fully atomistic simulation of the acid-induced unfolding of apomyoglobin in which the protonation of acidic side-chains to simulate low pH is sufficient to induce unfolding at room temperature with no added biasing forces or other unusual conditions; and the trajectory is validated by comparison to experimental characterization of intermediate states. Novel insights provided by their analysis include: characterization of a dry swollen globule state forming a barrier to initial unfolding or final folding; observation of cooperativity in secondary and tertiary structure formation and its explanation in terms of dielectric environments; and structural details of the intermediate and the completely unfolded states. These insights involve time scales and levels of structural detail that are presently beyond the range of experiment, but come within reach through the simulation methods described here. An implicit solvation model is used to analyze the energetics of protein folding at various pH and ionic strength values, and a reasonable estimate of folding free energy is obtained. Electrostatic interactions are found to disfavor folding. PMID:12498802

  12. Results of Detailed Hydrologic Characterization Tests - FY 1999/011

    SciTech Connect

    Spane, Frank A; Thorne, Paul D; Newcomer, Darrell R

    2001-01-19

    This report provides the results of detailed hydrologic characterization tests conducted within newly constructed Hanford Site wells during FY 1999. Detailed characterization tests performed during FY 1999 included: groundwater flow characterization, barometric response evaluation, slug tests, single-well tracer tests, constant-rate pumping tests, and in-well vertical flow tests. Hydraulic property estimates obtained from the detailed hydrologic tests include: transmissivity, hydraulic conductivity, specific yield, effective porosity, in-well lateral flow velocity, aquifer flow velocity, vertical distribution of hydraulic conductivity (within the well-screen section) and in-well vertical flow velocity. In addition, local groundwater flow characteristics (i.e., hydraulic gradient and flow direction) were determined for four sites where detailed well testing was performed.

  13. Results of Detailed Hydrologic Characterization Tests - Fiscal Year 2000

    SciTech Connect

    Spane, Frank A; Thorne, Paul D; Newcomer, Darrell R

    2001-05-15

    This report provides the results of detailed hydrologic characterization tests conducted within eleven Hanford Site wells during fiscal year 2000. Detailed characterization tests performed included groundwater-flow characterization; barometric response evaluation; slug tests; single-well tracer tests; constant-rate pumping tests; and in-well, vertical flow tests. Hydraulic property estimates obtained from the detailed hydrologic tests include transmissivity; hydraulic conductivity; specific yield; effective porosity; in-well, lateral flow velocity; aquifer-flow velocity; vertical distribution of hydraulic conductivity (within the well-screen section); and in-well, vertical flow velocity. In addition, local groundwater-flow characteristics (i.e., hydraulic gradient and flow direction) were determined for four sites where detailed well testing was performed.

  14. Results of Detailed Hydrologic Characterization Tests - Fiscal Year 1999

    SciTech Connect

    Spane, Frank A.; Thorne, Paul D.; Newcomer, Darrell R.

    2001-01-19

    This report provides the results of detailed hydrologic characterization tests conducted within newly constructed Hanford Site wells during FY 1999. Detailed characterization tests performed during FY 1999 included: groundwater flow characterization, barometric response evaluation, slug tests, single-well tracer tests, constant-rate pumping tests, and in-well vertical flow tests. Hydraulic property estimates obtained from the detailed hydrologic tests include: transmissivity, hydraulic conductivity, specific yield, effective porosity, in-well lateral flow velocity, aquifer flow velocity, vertical distribution of hydraulic conductivity (within the well-screen section) and in-well vertical flow velocity. In addition, local groundwater flow characteristics (i.e., hydraulic gradient and flow direction) were determined for four sites where detailed well testing was performed.

  15. Results of Detailed Hydrologic Characterization Tests - Fiscal Year 2000

    SciTech Connect

    Spane, Frank A.; Thorne, Paul D.; Newcomer, Darrell R.

    2001-05-15

    This report provides the resluts of detailed hydrologic characterization tests conducted within eleven Hanford Site wells during fiscal year 2000. Detailed characterization tests performed included groundwater-flow characterization; barometric response evaluation; slug tests; single-well tracer tests; constant-rate pumping tests; and in-well, vertical flow tests. Hydraulic property estimates obtained from the detailed hydrologic tests include transmissivity; hydraulic conductivity; specific yield; effective porosity; in-well, lateral flow velocity; aquifer-flow velocity; vertical distribution of hydraulic conductivity (within the well-screen section); and in-well, verticla flow velocity. In addition, local groundwater-flow characteristics (i.e., hydraulic gradient and flow direction) were determined for four sites where detailed well testing was performed.

  16. Structural concepts and details for seismic design

    SciTech Connect

    Not Available

    1991-09-01

    This manual discusses building and building component behavior during earthquakes, and provides suggested details for seismic resistance which have shown by experience to provide adequate performance during earthquakes. Special design and construction practices are also described which, although they might be common in some high-seismic regions, may not be common in low and moderate seismic-hazard regions of the United States. Special attention is given to describing the level of detailing appropriate for each seismic region. The UBC seismic criteria for all seismic zones is carefully examined, and many examples of connection details are given. The general scope of discussion is limited to materials and construction types common to Department of Energy (DOE) sites. Although the manual is primarily written for professional engineers engaged in performing seismic-resistant design for DOE facilities, the first two chapters, plus the introductory sections of succeeding chapters, contain descriptions which are also directed toward project engineers who authorize, review, or supervise the design and construction of DOE facilities. 88 refs., 188 figs.

  17. Interior detail of structural elements section; camera facing east. ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Interior detail of structural elements section; camera facing east. - Mare Island Naval Shipyard, Supply Building, Walnut Avenue, southeast corner of Walnut Avenue & Fifth Street, Vallejo, Solano County, CA

  18. Detailed electrical characterization of the TARA neutral beam injector system

    SciTech Connect

    Gaudreau, M.P.J.; Shuster, M.S.; Berkman, V.J.; Torti, R.P.; Horne, S.F.; Coleman, J.W.

    1985-11-01

    Extensive use of modern automatic control, data acquisition and state of the art power supply technology has enabled detailed electrical characterization and optimization of the TARA ion source operating point. The TARA ion sources and power supplies are parameterized empirically and/or modeled theoretically. The sources are characterized in the basic three dimensional space: filament power, arc power, and gas pressure. Filament warm-up rate, arc voltage to current ratio, arc and filament power supply ripple, and beam current parameter subspace are also investigated. Characterization is done in terms of small and large signals, frequency response, hysteresis and linearity to enable optimal source stability in a fully regulated environment. Discharge density regulation with the filament power highly regulated has been achieved through power supply feedback on the arc current or a Langmuir probe in the discharge. Dynamic divergence correction by feedback from secondary emission detectors in the source beamline is discussed. 4 refs., 36 figs.

  19. View south, wharf B, showing western docking structure, decking detail ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    View south, wharf B, showing western docking structure, decking detail - U.S. Coast Guard Sandy Hook Station, Western Docking Structure, West of intersection of Canfield Road & Hartshorne Drive, Highlands, Monmouth County, NJ

  20. INTERIOR; DETAIL OF ROOF FRAMING STRUCTURE, LOOKING SOUTHWEST. Naval ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    INTERIOR; DETAIL OF ROOF FRAMING STRUCTURE, LOOKING SOUTHWEST. - Naval Computer & Telecommunications Area Master Station, Eastern Pacific, Radio Transmitter Facility Lualualei, Helix House No. 2, Base of Radio Antenna Structure No. 427, Makaha, Honolulu County, HI

  1. 27. Old Crosscut Canal, Details for Drop Structures at Van ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    27. Old Crosscut Canal, Details for Drop Structures at Van Buren Street and McDowell Road, Wingwall Footing Plan and Pipe Detail, February 1975. Source: City of Phoenix Engineering Department. - Old Crosscut Canal, North Side of Salt River, Phoenix, Maricopa County, AZ

  2. 31. LOWER CHORD / FLOOR STRUCTURE DETAIL OF THROUGH TRUSS. ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    31. LOWER CHORD / FLOOR STRUCTURE DETAIL OF THROUGH TRUSS. VIEW TO NORTH. - Abraham Lincoln Memorial Bridge, Spanning Missouri River on Highway 30 between Nebraska & Iowa, Blair, Washington County, NE

  3. 32. LOWER CHORD / FLOOR STRUCTURE DETAIL OF THROUGH TRUSS. ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    32. LOWER CHORD / FLOOR STRUCTURE DETAIL OF THROUGH TRUSS. VIEW TO NORTH. - Abraham Lincoln Memorial Bridge, Spanning Missouri River on Highway 30 between Nebraska & Iowa, Blair, Washington County, NE

  4. 9. Detail of viaduct's structural system with cattle pens beneath. ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    9. Detail of viaduct's structural system with cattle pens beneath. View to northeast. - South Omaha Union Stock Yards, Buckingham Road Viaduct, Twenty-ninth Street spanning Stockyard Cattle Pens, Omaha, Douglas County, NE

  5. Visitor center flight room, detail of twin structural piers at ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Visitor center flight room, detail of twin structural piers at northeast corner supporting flight room dome - Wright Brothers National Memorial Visitor Center, Highway 158, Kill Devil Hills, Dare County, NC

  6. 40. Launch Area, Underground Missile Storage Structure, detail of escape ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    40. Launch Area, Underground Missile Storage Structure, detail of escape hatch and decontamination shower VIEW WEST - NIKE Missile Battery PR-79, Launch Area, East Windsor Road south of State Route 101, Foster, Providence County, RI

  7. 12. Exterior detail view of roof structure at eave, showing ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    12. Exterior detail view of roof structure at eave, showing exposed rafter tails, skip sheathing and gutter - American Railway Express Company Freight Building, 1060 Northeast Division Street, Bend, Deschutes County, OR

  8. 14. DETAIL OF ROOF TRUSS STRUCTURE AND HAY HOOK CABLE ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    14. DETAIL OF ROOF TRUSS STRUCTURE AND HAY HOOK CABLE AND PULLEY SYSTEM LOCATED ON WEST END OF BARN. CAMERA POINTED EAST. - James H. Lane Ranch, Barn, One Mile South of Richfield on Highway 26, Richfield, Lincoln County, ID

  9. Marguerite Arnet Residence, exterior roof structure detail, looking northwest. ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Marguerite Arnet Residence, exterior roof structure detail, looking northwest. - Adam & Bessie Arnet Homestead, Marguerite Arnet Residence, 560 feet northeast of Adam & Bessie Arnet Residence, Model, Las Animas County, CO

  10. 4. DETAIL VIEW OF CROSS SECTION OF STRUCTURE, SHOWING EXTERIOR ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    4. DETAIL VIEW OF CROSS SECTION OF STRUCTURE, SHOWING EXTERIOR FACINGS LINED WITH RUBBLE BACKING AND EARTH INFILL, LOOKING EAST - Rock Wall, North side of Battle Creek Canyon, Shingletown, Shasta County, CA

  11. 2. DETAIL OF STRUCTURAL SYSTEM FOR CANTILEVERED HOG RUN; BUILDING ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    2. DETAIL OF STRUCTURAL SYSTEM FOR CANTILEVERED HOG RUN; BUILDING 168 (1960 HOG KILL) IS BENEATH HOG RUN - Rath Packing Company, Cantilevered Hog Run, Sycamore Street between Elm & Eighteenth Streets, Waterloo, Black Hawk County, IA

  12. 7. Interior of Building 1015 (land plane hangar), structural detail, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    7. Interior of Building 1015 (land plane hangar), structural detail, looking northeast - Naval Air Station Chase Field, Building 1015, Byrd Street, .82 mile South-southeast of intersection of Texas State Highway 202 & Independence Street, Beeville, Bee County, TX

  13. 8. Interior of Building 1015 (land plane hangar), structural detail, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    8. Interior of Building 1015 (land plane hangar), structural detail, looking northeast - Naval Air Station Chase Field, Building 1015, Byrd Street, .82 mile South-southeast of intersection of Texas State Highway 202 & Independence Street, Beeville, Bee County, TX

  14. 15. Detail, cracks evidencing structural failure, northeast rear, view to ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    15. Detail, cracks evidencing structural failure, northeast rear, view to southwest, 90mm lens. - Benicia Arsenal, Powder Magazine No. 5, Junction of Interstate Highways 680 & 780, Benicia, Solano County, CA

  15. 14. Detail, crack evidencing structural failure, northeast rear, view to ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    14. Detail, crack evidencing structural failure, northeast rear, view to southwest, 90mm lens. Note failure of sandstone lintel above window. - Benicia Arsenal, Powder Magazine No. 5, Junction of Interstate Highways 680 & 780, Benicia, Solano County, CA

  16. 91. Virginia Route 608 grade separation structure. Detail of the ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    91. Virginia Route 608 grade separation structure. Detail of the scored wing walls and T beams. Looking southeast. - Blue Ridge Parkway, Between Shenandoah National Park & Great Smoky Mountains, Asheville, Buncombe County, NC

  17. 109. Detail view of structural frame supporting torch arm; cylindrical ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    109. Detail view of structural frame supporting torch arm; cylindrical object in foreground is part of ventilating system. February 1984. - Statue of Liberty, Liberty Island, Manhattan, New York County, NY

  18. 5. Detail of tower bottom step and stairway structure, facing ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    5. Detail of tower bottom step and stairway structure, facing southeast - Cold Mountain Fire Lookout Station, Lookout Tower, Krassel District, Frank Church River of No Return Wilderness, Dixie, Idaho County, ID

  19. INTERIOR STRUCTURAL DETAIL, INSIDE OF DRUM UNDER DOME ON STAIRS, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    INTERIOR STRUCTURAL DETAIL, INSIDE OF DRUM UNDER DOME ON STAIRS, LOOKING SOUTH. - Colt Fire Arms Company, East Armory Building, 36-150 Huyshope Avenue, 17-170 Van Dyke Avenue, 49 Vredendale Avenue, Hartford, Hartford County, CT

  20. 35. MISCELLANEOUS ARCHITECTURAL AND STRUCTURAL DETAILS. INEEL DRAWING NUMBER 200063300287106359. ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    35. MISCELLANEOUS ARCHITECTURAL AND STRUCTURAL DETAILS. INEEL DRAWING NUMBER 200-0633-00-287-106359. FLUOR NUMBER 5775-CPP-633-A-9. - Idaho National Engineering Laboratory, Old Waste Calcining Facility, Scoville, Butte County, ID

  1. Interior detail of third level structural elements at south end; ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Interior detail of third level structural elements at south end; camera facing west. - Mare Island Naval Shipyard, Supply Building, Walnut Avenue, southeast corner of Walnut Avenue & Fifth Street, Vallejo, Solano County, CA

  2. 16. DETAIL VIEW OF TYPICAL STRUCTURAL ELEMENTS; CROSSBAY 3 BETWEEN ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    16. DETAIL VIEW OF TYPICAL STRUCTURAL ELEMENTS; CROSSBAY 3 BETWEEN D & E BAYS; LOOKING WSW. (Ryan) - Watervliet Arsenal, Building No. 135, Gillespie Road, South of Parker Road, Watervliet, Albany County, NY

  3. 11. Detail, southeast corner, showing decorative elements of main structure, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    11. Detail, southeast corner, showing decorative elements of main structure, and window at the second story of the hose tower. - Independent Hose Company No. 3, Nineteenth & Belmont Streets, Bellaire, Belmont County, OH

  4. 20. Detail of lantern roof structure, with revolving lens beneath. ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    20. Detail of lantern roof structure, with revolving lens beneath. (Blurred due to apparatus motion.) - Block Island Southeast Light, Spring Street & Mohegan Trail at Mohegan Bluffs, New Shoreham, Washington County, RI

  5. DETAIL VIEW OF THE STRUCTURE OF THE BASE OF THE ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    DETAIL VIEW OF THE STRUCTURE OF THE BASE OF THE TEST STAND AND THE TAIL SECTION OF A REDSTONE (JUPITER) ROCKET. NOTE THE FLAME DEFLECTOR BEHIND THE STRUCTURE IN THE FOREGROUND. - Marshall Space Flight Center, Redstone Rocket (Missile) Test Stand, Dodd Road, Huntsville, Madison County, AL

  6. 12. DETAIL VIEW OF STRUCTURE, FROM BELOW. VIEW OF THE ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    12. DETAIL VIEW OF STRUCTURE, FROM BELOW. VIEW OF THE PARKER-MAYBERRY BRIDGE AND PART OF THE STRUCTURE OF THE COLORADO STREET BRIDGE, SEEN FROM THE ARROYO SECO BELOW THE COLORADO STREET BRIDGE - Colorado Street Bridge, Spanning Arroyo Seco at Colorado Boulevard, Pasadena, Los Angeles County, CA

  7. Battery Berry Observation Station, detail, frame structure meeting older masonry ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Battery Berry Observation Station, detail, frame structure meeting older masonry building on west side of structure; view east - Fort McKinley, Battery Berry Observation Station, North side of Wood Side Drive approximately 80 feet east of Spring Cove Lane, Great Diamond Island, Portland, Cumberland County, ME

  8. Hangar no. 2 structural details of west door at SW ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Hangar no. 2 structural details of west door at SW corner. Note door tracks in underside of upper door structure. Looking 4 N. - Marine Corps Air Station Tustin, Southern Lighter Than Air Ship Hangar, Near intersection of Windmill Road & Johnson Street, Tustin, Orange County, CA

  9. Detailed characterization of welding fumes in personal exposure samples

    NASA Astrophysics Data System (ADS)

    Quémerais, B.; Mino, James; Amin, M. R.; Golshahi, H.; Izadi, H.

    2015-05-01

    The objective of the project was to develop a method allowing for detailed characterization of welding particles including particle number concentration, size distribution, surface chemistry and chemical composition of individual particles, as well as metal concentration of various welding fumes in personal exposure samples using regular sampling equipment. A sample strategy was developed to evaluate the variation of the collection methods on mass concentration. Samples were collected with various samplers and filters at two different locations using our collection system. The first location was using a robotic welding system while the second was manual welding. Collected samples were analysed for mass concentration using gravimetryand metal concentration using ICP/OES. More advanced analysis was performed on selected filters using X-Ray Photoelectron Spectroscopy to determine surface composition of the particles, and X-Ray Diffraction to determine chemical composition of the fumes. Results showed that the robotic system had a lot of variation in space when the collection system was located close to the weld. Collection efficiency was found to be quite variable depending upon the type of filter. As well, metal concentrations in blank filters were dependent upon the type of filter with MCE presenting with the highest blank values. Results obtained with the XRD and XPS systems showed that it was possible to analyse a small of powdered welding fume sample but results on filters were not conclusive.

  10. Towards a detailed anthropometric body characterization using the Microsoft Kinect.

    PubMed

    Domingues, Ana; Barbosa, Filipa; Pereira, Eduardo M; Santos, Márcio Borgonovo; Seixas, Adérito; Vilas-Boas, João; Gabriel, Joaquim; Vardasca, Ricardo

    2016-01-01

    Anthropometry has been widely used in different fields, providing relevant information for medicine, ergonomics and biometric applications. However, the existent solutions present marked disadvantages, reducing the employment of this type of evaluation. Studies have been conducted in order to easily determine anthropometric measures considering data provided by low-cost sensors, such as the Microsoft Kinect. In this work, a methodology is proposed and implemented for estimating anthropometric measures considering the information acquired with this sensor. The measures obtained with this method were compared with the ones from a validation system, Qualisys. Comparing the relative errors determined with state-of-art references, for some of the estimated measures, lower errors were verified and a more complete characterization of the whole body structure was achieved. PMID:26599577

  11. 31. Detail of Southeast Light lens and roof structure of ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    31. Detail of Southeast Light lens and roof structure of light gallery, 1985. Taken day after Hurricane Gloria, courtesy of Gerald F. Abbott and Block Island Historical Society. - Block Island Southeast Light, Spring Street & Mohegan Trail at Mohegan Bluffs, New Shoreham, Washington County, RI

  12. Section A, detail view at parking structure of heatblistered paint ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Section A, detail view at parking structure of heat-blistered paint on column J3/10. Level B2, looking west/southwest. (BH) - World Trade Center Site, Bounded by Vesey, Church, Liberty Streets, & Route 9A, New York County, NY

  13. 73. DETAIL OF 'A' FRAME STRUCTURE LOOKING NORTH SHOWING PROJECTILE ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    73. DETAIL OF 'A' FRAME STRUCTURE LOOKING NORTH SHOWING PROJECTILE CAR, CAMERA TOWER, CANTILEVERED WALKWAYS AND ELECTRICAL GEAR, August 17, 1948. (Original photograph in possession of Dave Willis, San Diego, California.) - Variable Angle Launcher Complex, Variable Angle Launcher, CA State Highway 39 at Morris Reservior, Azusa, Los Angeles County, CA

  14. 5. STANDPIPE STRUCTURE DETAIL SHOWING CONNECTIONS TO PENSTOCKS, RIVETED SECTIONAL ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    5. STANDPIPE STRUCTURE DETAIL SHOWING CONNECTIONS TO PENSTOCKS, RIVETED SECTIONAL CONSTRUCTION OF TWO OF THE THREE ORIGINAL STANDPIPES (PHOTO RIGHT), WELDED SECTIONAL CONSTRUCTION OF FOURTH STANDPIPE, AND MODERN VENTILATION VALVES ON FIFTH PENSTOCK AT PHOTO LEFT CENTER BETWEEN FOURTH STANDPIPE AND ORIGINAL TWO. VIEW TO NORTHEAST. - Big Creek Hydroelectric System, Powerhouse 3 Penstock Standpipes, Big Creek, Big Creek, Fresno County, CA

  15. Structure A, architectural sections & details. Drawing no. H2, revised ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Structure A, architectural sections & details. Drawing no. H2, revised as-built dated October 11, 1951. Original drawing by Black & Veatch, consulting engineers, Kansas City, Missouri, prepared for the U.S. Department of the Army, Office of Engineers, Military Construction Division, Washington, D.C. dated October 1. - Travis Air Force Base, Building No. 925, W Street, Fairfield, Solano County, CA

  16. Hangar no. 2 interior detail of roof structures and interior ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Hangar no. 2 interior detail of roof structures and interior work spaces. Note concrete piers and cross bracing. Seen at trusses no. 42, 43, & 44. - Marine Corps Air Station Tustin, Southern Lighter Than Air Ship Hangar, Near intersection of Windmill Road & Johnson Street, Tustin, Orange County, CA

  17. 60. DETAIL VIEW OF TWO STEEL STRUCTURAL COLUMNS THAT REPLACED ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    60. DETAIL VIEW OF TWO STEEL STRUCTURAL COLUMNS THAT REPLACED THE ORIGINAL BRICK SUPPORTS FOR THE SOUTHERNMOST ARCH ON THE BUILDING'S W WALL WHEN THE S SECTION OF THE BUILDING WAS 'OPENED-UP' DURING THE SECOND WORLD WAR; LOOKING NW. (Ceronie) - Watervliet Arsenal, Building No. 110, Hagner Road between Schull & Whittemore Roads, Watervliet, Albany County, NY

  18. 26. Old Crosscut Canal, Details for Drop Structures at Van ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    26. Old Crosscut Canal, Details for Drop Structures at Van Buren Street and McDowell Road, Elevation, Plan and Section, February 1975. Source: city of Phoenix Engineering Department. - Old Crosscut Canal, North Side of Salt River, Phoenix, Maricopa County, AZ

  19. 26. DETAIL OF STRUCTURAL COLLAPSE OF TOP FLOOR OF MILL, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    26. DETAIL OF STRUCTURAL COLLAPSE OF TOP FLOOR OF MILL, ABOVE ORE BIN, LOOKING WEST FROM TOP OF STAIRWAY IN CA-290-25. THE PIPE AT CENTER WAS USED TO SPREAD CRUSHED ORE COMING FROM THE JAW CRUSHER EVENLY TO ALL AREA OF THE ORE BIN BELOW. - Skidoo Mine, Park Route 38 (Skidoo Road), Death Valley Junction, Inyo County, CA

  20. 25. DETAIL OF STRUCTURAL TIMBERS, ORE BIN, AND STAIRWAY TO ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    25. DETAIL OF STRUCTURAL TIMBERS, ORE BIN, AND STAIRWAY TO TOP FLOOR OF MILL, LOOKING SOUTH FROM SECOND FLOOR OF MILL. PORTION OF ORE BIN ON RIGHT, STAIRS ON LEFT. - Skidoo Mine, Park Route 38 (Skidoo Road), Death Valley Junction, Inyo County, CA

  1. Detail interior view of northeast stay tower at parking structure ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Detail interior view of northeast stay tower at parking structure in Section A showing graffiti, looking south between levels B3 and B4. Graffiti reads "God bless our local 3 brothers who gave their lives on 9-11-01 and all the rest! Amen" (BH) - World Trade Center Site, Bounded by Vesey, Church, Liberty Streets, & Route 9A, New York County, NY

  2. Detail Hframe structure about five and onefourth miles southwest of ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Detail H-frame structure about five and one-fourth miles southwest of Morony Dam and Powerhouse showing one modern non-ceramic insulator and two historic porcelain suspension insulators - Morony Hydroelectric Facility, Morony-to-Rainbow 100 kV Transmission Line, West bank of the Missouri River, Great Falls, Cascade County, MT

  3. Detail of insulator array at first line structure showing historic ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Detail of insulator array at first line structure showing historic porcelain suspension insulators in strings of eight, porcelain jumper support insulators in strings of six, arch rings and ball weights - Morony Hydroelectric Facility, Morony-to-Rainbow 100 kV Transmission Line, West bank of the Missouri River, Great Falls, Cascade County, MT

  4. 16. STRUCTURAL DETAILS: CHANNEL, BIT & CLEAT, ANCHOR BOLTS & ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    16. STRUCTURAL DETAILS: CHANNEL, BIT & CLEAT, ANCHOR BOLTS & PLATES FOR PIERS 4, 5, AND 6, DWG. NO. 97, 1-1/2" = 1', MADE BY A.F., JUNE 13, 1908 - Baltimore Inner Harbor, Pier 5, South of Pratt Street between Market Place & Concord Street, Baltimore, Independent City, MD

  5. 10. Exterior view, showing the structural details and tanks above ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    10. Exterior view, showing the structural details and tanks above at walk-in entry level (bottom) of Test Cell 7, Systems Integration Laboratory Building (T-28), looking west. - Air Force Plant PJKS, Systems Integration Laboratory, Systems Integration Laboratory Building, Waterton Canyon Road & Colorado Highway 121, Lakewood, Jefferson County, CO

  6. 6. Exterior view, showing structural details and instrumentation at the ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    6. Exterior view, showing structural details and instrumentation at the walk-in entry level (bottom) of Test Cell 6, Systems Integration Laboratory Building (T-28), looking southwest. - Air Force Plant PJKS, Systems Integration Laboratory, Systems Integration Laboratory Building, Waterton Canyon Road & Colorado Highway 121, Lakewood, Jefferson County, CO

  7. 10. KIDNER BRIDGE STRUCTURAL STEEL DETAIL SHEET (original plan sheet ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    10. KIDNER BRIDGE STRUCTURAL STEEL DETAIL SHEET (original plan sheet is in possession of Ball State University, Drawings and Documents Archive, COllege of Architecture and Planing, Ball State University, Muncie, Indiana, 47306 - Kidner Bridge, Spanning Mississinewa River at County Road 700 South, Upland, Grant County, IN

  8. Detail of array structural elements through axis of array, looking ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Detail of array structural elements through axis of array, looking north-northeast - Over-the-Horizon Backscatter Radar Network, Columbia Falls Radar Site Receive Sector Two Antenna Array, At the end of Shadagee Ridge Road, Columbia Falls, Washington County, ME

  9. 9. DETAIL OF DIVERSION STRUCTURE WEST OF DERBY LAKE (SECTION ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    9. DETAIL OF DIVERSION STRUCTURE WEST OF DERBY LAKE (SECTION 2) SHOWING DIVERSION GATE TO LAKE LADORA. - Highline Canal, Sand Creek Lateral, Beginning at intersection of Peoria Street & Highline Canal in Arapahoe County (City of Aurora), Sand Creek lateral Extends 15 miles Northerly through Araphoe County, City & County of Denver, & Adams County to its end point, approximately 1/4 mile Southest of intersectioin of D Street & Ninth Avenue in Adams County (Rocky Mountain Arsenal, Commerce City Vicinity), Commerce City, Adams County, CO

  10. Detail View looking at the protected structure and landing gear ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Detail View looking at the protected structure and landing gear housing in the void created by the removal of the Forward Reaction Control System Module from the forward section of the Orbiter Discovery. This view was taken from the service platform in the Orbiter Processing Facility at Kennedy Space Center. - Space Transportation System, Orbiter Discovery (OV-103), Lyndon B. Johnson Space Center, 2101 NASA Parkway, Houston, Harris County, TX

  11. 5. "TEST STAND 13, CONCRETE STRUCTURAL SECTIONS AND DETAILS." Specifications ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    5. "TEST STAND 1-3, CONCRETE STRUCTURAL SECTIONS AND DETAILS." Specifications No. OC12-50-10; Drawing No. 60-09-06; no sheet number within title block. D.O. SERIES 1109/17, Rev. A. Stamped: AS BUILT; NO CHANGES. Date of Revision A: 11/1/50. - Edwards Air Force Base, Air Force Rocket Propulsion Laboratory, Test Stand 1-3, Test Area 1-115, northwest end of Saturn Boulevard, Boron, Kern County, CA

  12. 9. "TEST STAND; STRUCTURAL; CABLE TUNNEL, PLAN, SECTIONS, DETAILS." Specifications ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    9. "TEST STAND; STRUCTURAL; CABLE TUNNEL, PLAN, SECTIONS, DETAILS." Specifications No. OC1-55-72-(Rev.); Drawing No. 60-09-12; sheet 43 of 148; file no. AF 1320/94, Rev. A. Stamped: RECORD DRAWING - AS CONSTRUCTED. Below stamp: Contract no. 4338, no change. - Edwards Air Force Base, Air Force Rocket Propulsion Laboratory, Test Stand 1-A Terminal Room, Test Area 1-120, north end of Jupiter Boulevard, Boron, Kern County, CA

  13. 12. "TEST STAND; STRUCTURAL; DEFLECTOR PIT DETAILS, SHEET NO. 1." ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    12. "TEST STAND; STRUCTURAL; DEFLECTOR PIT DETAILS, SHEET NO. 1." Specifications No. ENG-04-353-55-72; Drawing No. 60-09-12; sheet 41 of 148; file no. 1320/92, Rev. A. Stamped: RECORD DRAWING - AS CONSTRUCTED. Below stamp: Contract no. 4338, no change. - Edwards Air Force Base, Air Force Rocket Propulsion Laboratory, Test Stand 1-A Terminal Room, Test Area 1-120, north end of Jupiter Boulevard, Boron, Kern County, CA

  14. Aircraft wing structural detail design (wing, aileron, flaps, and subsystems)

    NASA Technical Reports Server (NTRS)

    Downs, Robert; Zable, Mike; Hughes, James; Heiser, Terry; Adrian, Kenneth

    1993-01-01

    The goal of this project was to design, in detail, the wing, flaps, and ailerons for a primary flight trainer. Integrated in this design are provisions for the fuel system, the electrical system, and the fuselage/cabin carry-through interface structure. This conceptual design displays the general arrangement of all major components in the wing structure, taking into consideration the requirements set forth by the appropriate sections of Federal Aviation Regulation Part 23 (FAR23) as well as those established in the statement of work.

  15. DETAIL VIEW OF UPPER TRAM TERMINAL STRUCTURE, LOOKING NORTHEAST TOWARD ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    DETAIL VIEW OF UPPER TRAM TERMINAL STRUCTURE, LOOKING NORTHEAST TOWARD THE REAR OF THE STRUCTURE. THE WHEELS AT THE TOP OF THE TRAM BUCKETS RODE OFF THE STATIONARY CABLES ONTO THE TRACK SUPPORTED BY THE "C" IRONS SUSPENDED FROM THE TOP TIMBERS, CLEARLY SEEN AT THE TOP OF THE FRAME. THE ANCHOR POINTS FOR THE TWO STATIONARY CABLES ARE AT BOTTOM CENTER, JUST BELOW THE CABLE WHEEL. THE MAIN CABLE WHEEL IS IN THE DISTANCE AT CENTER LEFT. THE ORE CHUTES COMING FROM THE ORE BIN ARE AT LEFT CENTER EDGE. TRAM BUCKETS WERE CHARGED HERE. - Keane Wonder Mine, Park Route 4 (Daylight Pass Cutoff), Death Valley Junction, Inyo County, CA

  16. Ligand binding studies, preliminary structure-activity relationship and detailed mechanistic characterization of 1-phenyl-6,6-dimethyl-1,3,5-triazine-2,4-diamine derivatives as inhibitors of Escherichia coli dihydrofolate reductase.

    PubMed

    Srinivasan, Bharath; Tonddast-Navaei, Sam; Skolnick, Jeffrey

    2015-10-20

    Gram-negative bacteria are implicated in the causation of life-threatening hospital-acquired infections. They acquire rapid resistance to multiple drugs and available antibiotics. Hence, there is the need to discover new antibacterial agents with novel scaffolds. For the first time, this study explores the 1,3,5-triazine-2,4-diamine and 1,2,4-triazine-2,4-diamine group of compounds as potential inhibitors of Escherichia coli DHFR, a pivotal enzyme in the thymidine and purine synthesis pathway. Using differential scanning fluorimetry, DSF, fifteen compounds with various substitutions on either the 3rd or 4th positions on the benzene group of 6,6-dimethyl-1-(benzene)-1,3,5-triazine-2,4-diamine were shown to bind to the enzyme with varying affinities. Then, the dose dependence of inhibition by these compounds was determined. Preliminary quantitative structure-activity relationship analysis and docking studies implicate the alkyl linker group and the sulfonyl fluoride group in increasing the potency of inhibition. 4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride (NSC120927), the best hit from the study and a molecule with no reported inhibition of E. coli DHFR, potently inhibits the enzyme with a Ki value of 42.50 ± 5.34 nM, followed by 4-[6-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]hexyl]benzenesulfonyl fluoride (NSC132279), with a Ki value of 100.9 ± 12.7 nM. Detailed kinetic characterization of the inhibition brought about by five small-molecule hits shows that these inhibitors bind to the dihydrofolate binding site with preferential binding to the NADPH-bound binary form of the enzyme. Furthermore, in search of novel diaminotriazine scaffolds, it is shown that lamotrigine, a 1,2,4-triazine-3,5-diamine and a sodium-ion channel blocker class of antiepileptic drug, also inhibits E. coli DHFR. This is the first comprehensive study on the binding and inhibition brought about by diaminotriazines of a gram

  17. Applications of GPR in Structural Detailing of the Medway Tunnel

    NASA Astrophysics Data System (ADS)

    Alani, Amir M.; Faramarzi, Assad

    2013-04-01

    This investigation focuses on applications of GPR on structural detailing of a major tunnel under the River Medway in north Kent, UK. Construction of the tunnel was completed in 1996 and it carries a substantial volume of traffic between two major areas of Medway. The construction of the tunnel is an "immersed tube" tunnel type that connects a number of segments at immersion joint points. This investigation reports on utilisation of two separate GPR antenna systems at different frequencies in establishing structural details of the tunnel roof at immersion joints. The processed data compiled as a result of this investigation provided much needed information to tunnel engineers for forthcoming maintenance planning purposes. It also provided ample information in confirming rather doubted construction plans originally produced. The reported results are conclusive in terms of construction materials used (information was not originally available and needed confirmation) as well as establishing the required information on the formation of the tunnel roof joints. The presentation is complemented by providing detailed information of a complex process of adopting the GPR systems used in this endeavour.

  18. DETAIL VIEW OF UPPER TRAM TERMINAL STRUCTURE, LOOKING SOUTH TOWARD ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    DETAIL VIEW OF UPPER TRAM TERMINAL STRUCTURE, LOOKING SOUTH TOWARD THE FRONT OF THE STRUCTURE. THE WHEELS AT THE TOP OF THE TRAM BUCKETS RODE OFF THE STATIONARY CABLES ONTO THE TRACK SUPPORTED BY THE "C" IRONS SUSPENDED FROM THE TOP TIMBERS ON THE LEFT AND RIGHT. THE BUCKET OPENING MECHANISM IS ON THE LEFT, AND PART OF THE CLOSING MECHANISM ON THE RIGHT EDGE OF THE FRAME. THE TWO CABLES AT CENTER ARE THE STATIONARY TRAM CABLES THAT RUN ALONG THE TOP OF THE SUPPORT TOWERS ON WHICH THE WHEELS OF THE TRAM BUCKETS RODE. THEY ARE ANCHORED AT GROUND LEVEL JUST OFF FRAME TO THE LOWER LEFT. - Keane Wonder Mine, Park Route 4 (Daylight Pass Cutoff), Death Valley Junction, Inyo County, CA

  19. Detailed temporal structure of communication networks in groups of songbirds

    PubMed Central

    Clayton, David

    2016-01-01

    Animals in groups often exchange calls, in patterns whose temporal structure may be influenced by contextual factors such as physical location and the social network structure of the group. We introduce a model-based analysis for temporal patterns of animal call timing, originally developed for networks of firing neurons. This has advantages over cross-correlation analysis in that it can correctly handle common-cause confounds and provides a generative model of call patterns with explicit parameters for the influences between individuals. It also has advantages over standard Markovian analysis in that it incorporates detailed temporal interactions which affect timing as well as sequencing of calls. Further, a fitted model can be used to generate novel synthetic call sequences. We apply the method to calls recorded from groups of domesticated zebra finch (Taeniopygia guttata) individuals. We find that the communication network in these groups has stable structure that persists from one day to the next, and that ‘kernels’ reflecting the temporal range of influence have a characteristic structure for a calling individual's effect on itself, its partner and on others in the group. We further find characteristic patterns of influences by call type as well as by individual. PMID:27335223

  20. Detailed temporal structure of communication networks in groups of songbirds.

    PubMed

    Stowell, Dan; Gill, Lisa; Clayton, David

    2016-06-01

    Animals in groups often exchange calls, in patterns whose temporal structure may be influenced by contextual factors such as physical location and the social network structure of the group. We introduce a model-based analysis for temporal patterns of animal call timing, originally developed for networks of firing neurons. This has advantages over cross-correlation analysis in that it can correctly handle common-cause confounds and provides a generative model of call patterns with explicit parameters for the influences between individuals. It also has advantages over standard Markovian analysis in that it incorporates detailed temporal interactions which affect timing as well as sequencing of calls. Further, a fitted model can be used to generate novel synthetic call sequences. We apply the method to calls recorded from groups of domesticated zebra finch (Taeniopygia guttata) individuals. We find that the communication network in these groups has stable structure that persists from one day to the next, and that 'kernels' reflecting the temporal range of influence have a characteristic structure for a calling individual's effect on itself, its partner and on others in the group. We further find characteristic patterns of influences by call type as well as by individual. PMID:27335223

  1. A general approach to the synthesis and detailed characterization of magnetic ferrite nanocubes.

    PubMed

    Xu, Yaolin; Sherwood, Jennifer; Qin, Ying; Holler, Robert A; Bao, Yuping

    2015-08-01

    A general approach to the synthesis and detailed characterization of magnetic ferrite nanocubes were reported, where the nanocubes were synthesized by the thermal decomposition of metal-oleate complexes following a step-heating method. The doping ions were introduced during the precursor preparation by forming M(2+)/Fe(3+) oleate mixed complex (M(2+) = Fe(2+), Mn(2+), Zn(2+), Cu(2+), Ca(2+), and Mg(2+)). The mechanistic studies showed that the presence of sodium oleate in combination with step-heating was critical for the formation of the cubic shapes for the doped magnetic ferrites. The nanocubes were extensively characterized, including morphology and crytsal structure by advanced transmission electron microscopy, doping level and distribution by energy dispersive X-ray spectroscopy and X-ray photoelectron spectroscopy, cation distribution within the spinel structures by Fourier transform infrared and Raman spectroscopy, and magnetic properties by alternating gradient magnetometer at room temperature. PMID:26148705

  2. Detailed Multidimensional Simulations of the Structure and Dynamics of Flames

    NASA Technical Reports Server (NTRS)

    Patnaik, G.; Kailasanath, K.

    1999-01-01

    Numerical simulations in which the various physical and chemical processes can be independently controlled can significantly advance our understanding of the structure, stability, dynamics and extinction of flames. Therefore, our approach has been to use detailed time-dependent, multidimensional, multispecies numerical models to perform carefully designed computational experiments of flames on Earth and in microgravity environments. Some of these computational experiments are complementary to physical experiments performed under the Microgravity Program while others provide a fundamental understanding that cannot be obtained from physical experiments alone. In this report, we provide a brief summary of our recent research highlighting the contributions since the previous microgravity combustion workshop. There are a number of mechanisms that can cause flame instabilities and result in the formation of dynamic multidimensional structures. In the past, we have used numerical simulations to show that it is the thermo-diffusive instability rather than an instability due to preferential diffusion that is the dominant mechanism for the formation of cellular flames in lean hydrogen-air mixtures. Other studies have explored the role of gravity on flame dynamics and extinguishment, multi-step kinetics and radiative losses on flame instabilities in rich hydrogen-air flames, and heat losses on burner-stabilized flames in microgravity. The recent emphasis of our work has been on exploring flame-vortex interactions and further investigating the structure and dynamics of lean hydrogen-air flames in microgravity. These topics are briefly discussed after a brief discussion of our computational approach for solving these problems.

  3. Mineralogical characterization of rendering mortars from decorative details of a baroque building in Kozuchow (SW Poland)

    SciTech Connect

    Bartz, W.; Filar, T.

    2010-01-15

    Optical microscopic observations, scanning electron microscopy and microprobe with energy dispersive X-ray analysis, X-ray diffraction and differential thermal/thermogravimetric analysis allowed detailed characterization of rendering mortars from decorative details (figures of Saints) of a baroque building in Kozuchow (Lubuskie Voivodship, Western Poland). Two separate coats of rendering mortars have been distinguished, differing in composition of their filler. The under coat mortar has filler composed of coarse-grained siliceous sand, whereas the finishing one has much finer grained filler, dominated by a mixture of charcoal and Fe-smelting slag, with minor amounts of quartz grains. Both mortars have air-hardening binder composed of gypsum and micritic calcite, exhibiting microcrystalline structure.

  4. Investigating structural details of lipid-cholesterol-A β interactions

    NASA Astrophysics Data System (ADS)

    Rai, Durgesh; Anunciado, Divina; Heller, William; O'Neill, Hugh; Urban, Volker; Qian, Shuo

    2015-03-01

    Alzheimer's disease (AD) is the most common form of dementia and is predicted to affect 1 in 85 people around the world by 2050. Amyloid beta (A β) -peptide, a peptide composed of 40- 42 amino acids that is the product of cleavage from the amyloid precursor protein (APP), is regarded to play a major role in the development of AD. In addition, accumulating evidence points to a positive association between cholesterol and AD. Here, we present results from our studies about A β-peptide and cholesterol in bilayer by small-angle neutron scattering (SANS) using a combination of dimyristoyl, phosphocholine (DMPC) and partially deuterated cholesterol (cholesterol-d7) with and without A β. We compare the results using grazing incidence and transmission SANS on lipid bilayer films and unilamellar vesicles respectively. The structural details on vesicles and bilayers work in conjunction with the circular dichroism on peptide in solution and oriented circular dichroism in bilayer films. The studies confirm a positive association of A β with the membrane layers. The results from different studies will be compared and contrasted in presentation.

  5. Magnitude and detailed structure of residual oil saturation

    SciTech Connect

    Chatzis, I.; Morrow, N.R.; Lim, H.T.

    1982-01-01

    Experimental results are presented which demonstrate the effect on residual oil, under water-wet conditions, of particle size, particle size distribution, macroscopic and microscopic heterogeneities, microscopic dimensions such as ratio of pore body to pore throat size, and pore-to-pore coordination number. Experiments were performed in random packs of equal spheres, heterogeneous packs of spheres with microscopic and macroscopic heterogeneities, two-dimensional capillary networks having various pore geometries, and Berea sandstone. Detailed information on residual oil structure is presented, including blob size distributions of residual oil. Major conclusions are: (1) residual saturationds are independent of absolute pore size, per se, in systems of similar pore geometry; (2) well-mixed two-component aggregates of spheres gave virtually the same residual saturations as random packings of equal spheres; (3) clusters of large pores accessible through small pores will retain oil; (4) high aspect ratios tend to cause entrapment of oil as a large number of relatively small blobs, each held in single pores; and (5) the role of pore-to-pore coordination unber is generally secondary, hence correlations which have been proposed between residual oil and coordination number are unreliable.

  6. Magnitude and detailed structure of residual oil saturation

    SciTech Connect

    Chatzis, I.; Lim, H.T.; Morrow, N.R.

    1983-04-01

    Experimental results are presented that demonstrate the effect on residual oil, under water-wet conditions, of particle size, particle-size distribution, macroscopic and microscopic heterogeneities, microscopic dimensions such as ratio of pore-body to pore-throat size, and pore-to-pore coordination number. Experiments were performed in random packs of equal spheres, heterogeneous packs of spheres with microscopic and macroscopic heterogeneities, two-dimensional (2D) capillary networks having various pore geometries, and Berea sandstone. Detailed information on residual oil structure is presented, including blob-size distributions of residual oil. Major conclusions are: residual saturations are independent of absolute pore size, per se, in systems of similar pore geometry; well-mixed two-component aggregates of spheres gave virtually the same residual saturations as random packings of equal spheres; clusters of large pores accessible through small pores will retain oil; high aspect ratios tend to cause entrapment of oil as a large number of relatively small blobs, each held in single pores; and the role of pore-to-pore coordination number is generally secondary; hence, correlations that have been proposed between residual oil and coordination number are unreliable.

  7. Magnitude and detailed structure of residual oil saturation

    SciTech Connect

    Chatzis, I.; Lim, H.T.; Morrow, N.R.

    1983-04-01

    Experimental results are presented that demonstrate the effect on residual oil, under water-wet conditions, of particle size, particle-size distribution, macroscopic and microscopic heterogeneities, microscopic dimensions such as ratio of pore-body to pore-throat size, and pore-to-pore coordination number. Experiments were performed in random packs of equal spheres, heterogeneous packs of spheres with microscopic and macroscopic heterogeneities, two-dimensional (2D) capillary networks having various pore geometries, and Berea sandstone. Detailed information on residual oil structure is presented, including blob-size distributions of residual oil. Major conclusions are (1) residual saturations are independent of absolute pore size, per se, in systems of similar pore geometry; (2) well-mixed two-component aggregates of spheres gave virtually the same residual saturations as random packings of equal spheres; (3) clusters of large pores accessible through small pores will retain oil; (4) high aspect ratios tend to cause entrapment of oil as a large number of relatively small blobs, each held in single pores; and (5) the role of pore-to-pore coordination number is generally secondary; hence, correlations that have been proposed between residual oil and coordination number are unreliable.

  8. Detailed slab and mantle structure beneath westernmost Mediterranean

    NASA Astrophysics Data System (ADS)

    Sun, D.; Miller, M. S.; Bezada, M. J.; Humphreys, E.

    2013-12-01

    The geological evolution of the westernmost Mediterranean holds an important piece of the puzzle of how whole western Mediterranean evolved due to the convergence of Africa with Eurasia. Detailed upper mantle seismological images are crucial to test two controversial ideas about the dynamic process of the westernmost Mediterranean during the Cenozoic: slab rollback and lithosphere delamination. Recent tomographic images based on the dense seismic network in Spain and northern Morocco reveal a high-resolution continuous high-velocity anomaly to the transition zone depth under the Alboran domain [Bezada and Humphreys, 2013], which was used to support the slab roll back hypothesis for the westernmost Mediterranean tectonic evolution. However, the slab shape, width, and sharpness of its edges are not well resolved. Furthermore, the deep 2010 earthquake beneath Granada, Spain suggests possible oceanic crust material existing at ~ 600 km depth, which cannot be resolved by current tomography models. The study of multipathing and waveform broadening around sharp features has proven an efficient way to study those features. Here, we use both P and S waveform data from the PICASSO array to produce a detailed image. For the deep Granada earthquake, high frequency second arrivals and long coda after the P and S arrivals are shown on stations in the Rif Mountains of Morocco. By fitting both SH and P waveform data, we suggest that a low-velocity layer (LVL, 2 km thickness, δVs = -10%), possibly old oceanic crust, sits on top of the slab. The seismic waves travel through the LVL as guided waves preserving their high frequency energy. The strength of the second arrivals are very sensitive to the relative location between the deep earthquake and the LVL, which indicates the 2010 deep earthquake was most-likely within the subducted oceanic crust. Using both teleseismic and regional data, we conclude that the width of the sub-vertical slab is ~150 km, which is sharper than the

  9. Detailed Northern Anatolian Fault Zone crustal structure from receiver functions

    NASA Astrophysics Data System (ADS)

    Cornwell, D. G.; Kahraman, M.; Thompson, D. A.; Houseman, G. A.; Rost, S.; Turkelli, N.; Teoman, U.; Altuncu Poyraz, S.; Gülen, L.; Utkucu, M.

    2013-12-01

    locations at either of the NAFZ fault branches. We observe first-order differences in crustal structure between the crustal blocks that are separated by the faults. Each crustal block also contains regions of strong anisotropy at various depths that will be analyzed further with the full seismological dataset and compared to petrofabric analyses of exhumed fault segments. We will compare our results with other seismological imaging techniques to attempt to resolve the distribution of fault zone deformation with respect to depth. This information will be useful to other complementary Faultlab techniques that will add a detailed insight into the fault structure and dynamics of the NAFZ and contribute more broadly into ongoing research into major strike-slip fault zones.

  10. A new laboratory-scale experimental facility for detailed aerothermal characterizations of volumetric absorbers

    NASA Astrophysics Data System (ADS)

    Gomez-Garcia, Fabrisio; Santiago, Sergio; Luque, Salvador; Romero, Manuel; Gonzalez-Aguilar, Jose

    2016-05-01

    This paper describes a new modular laboratory-scale experimental facility that was designed to conduct detailed aerothermal characterizations of volumetric absorbers for use in concentrating solar power plants. Absorbers are generally considered to be the element with the highest potential for efficiency gains in solar thermal energy systems. The configu-ration of volumetric absorbers enables concentrated solar radiation to penetrate deep into their solid structure, where it is progressively absorbed, prior to being transferred by convection to a working fluid flowing through the structure. Current design trends towards higher absorber outlet temperatures have led to the use of complex intricate geometries in novel ceramic and metallic elements to maximize the temperature deep inside the structure (thus reducing thermal emission losses at the front surface and increasing efficiency). Although numerical models simulate the conjugate heat transfer mechanisms along volumetric absorbers, they lack, in many cases, the accuracy that is required for precise aerothermal validations. The present work aims to aid this objective by the design, development, commissioning and operation of a new experimental facility which consists of a 7 kWe (1.2 kWth) high flux solar simulator, a radiation homogenizer, inlet and outlet collector modules and a working section that can accommodate volumetric absorbers up to 80 mm × 80 mm in cross-sectional area. Experimental measurements conducted in the facility include absorber solid temperature distributions along its depth, inlet and outlet air temperatures, air mass flow rate and pressure drop, incident radiative heat flux, and overall thermal efficiency. In addition, two windows allow for the direct visualization of the front and rear absorber surfaces, thus enabling full-coverage surface temperature measurements by thermal imaging cameras. This paper presents the results from the aerothermal characterization of a siliconized silicon

  11. Detailed analysis of the structural consequences of railgun augumentation

    SciTech Connect

    Wellman, G.W.; Schuler, K.W.

    1988-06-01

    The advantage of augmenting a plasma railgun is to provide the same driving force on the projectile as in an unaugmented railgun at a lower plasma arc current, thus producing less erosion and barrel damage. However, there are structural consequences to railgun augmentation which must be overcome before the advantages of lower plasma arc currents can be realized. To investigate these consequences, a bolted V-block supporting structure is considered with two cores; unaugmented (a single pair of conducting rails), and augmented (conducting rails augmented by a second tandem set of conductors). For each core, a two-dimensional dynamic finite element structural analysis is performed. The loadings, applied sequentially, consist of the static bolt preload, the plasma pressure behind the projectile, and the magnetic pressure induced by currents flowing in the rails or augmenting conductors. The magnetic pressure induced by currents flowing in the rails or augmenting conductors. A maximum rail current is found for which the unaugmented railgun can be fired without permanent deformation of the gun bore, thus allowing repeated firings. For the augmented railgun, at the same projectile acceleration, large permanent deformations are shown. 7 refs., 41 figs., 2 tabs.

  12. Structure and fabrication details of an integrated modularized microfluidic system.

    PubMed

    Tian, Qingchang; Mu, Ying; Xu, Yanan; Song, Qi; Yu, Bingwen; Ma, Congcong; Jin, Wei; Jin, Qinhan

    2015-12-01

    This article contains schemes, original experimental data and figures for an integrated modularized microfluidic system described in "An integrated microfluidic system for bovine DNA purification and digital PCR detection [1]". In this data article, we described the structure and fabrication of the integrated modularized microfluidic system. This microfluidic system was applied to isolate DNA from ovine tissue lysate and detect the bovine DNA with digital PCR (dPCR). The DNA extraction efficiency of the microdevice was compared with the efficiency of benchtop protocol. PMID:26594657

  13. Detailed structural characterization of the grafting of [Ta(=CHtBu)(CH2tBu)3] and [Cp*TaMe4] on silica partially dehydroxylated at 700 C and the activity of the grafted complexes toward alkane metathesis

    SciTech Connect

    Le Roux, Erwan; Chabanas, Mathieu; Baudouin, Anne; de Mallmann, Aimery; Coperet, Christophe; Quadrelli, E. Allesandra; Thivolle-Cazat, Jean; Basset, Jean-Marie; Lukens, Wayne; Lesage, Anne; Emsley, Lyndon; Sunley, Glenn J.

    2004-08-30

    The reaction of [Ta({double_bond}CHtBu)(CH{sub 2}tBu){sub 3}] or [Cp*Ta(CH{sub 3}){sub 4}] with a silica partially dehydroxylated at 700 C gives the corresponding monosiloxy surface complexes [({triple_bond}SiO)Ta({double_bond}CHtBu)(CH{sub 2}tBu){sub 2}] and [({triple_bond}SiO)Ta(CH{sub 3}){sub 3}Cp*] by eliminating a {sigma}-bonded ligand as the corresponding alkane (H-CH{sub 2}tBu or H-CH{sub 3}). EXAFS data show that an adjacent siloxane bridge of the surface plays the role of an extra surface ligand, which most likely stabilizes these complexes as in [({triple_bond}SiO)Ta({double_bond}CHtBu)(CH{sub 2}tBu){sub 2}({triple_bond}SiOSi{triple_bond})] (1a') and [({triple_bond}SiO)Ta(CH{sub 3}){sub 3}Cp*({triple_bond}SiOSi{triple_bond})] (2a'). In the case of [({triple_bond}SiO)Ta({double_bond}CHtBu)(CH{sub 2}tBu){sub 2}({triple_bond}SiOSi{triple_bond})], the structure is further stabilized by an additional interaction: a C-H agostic bond as evidenced by the small J coupling constant for the carbenic C-H (H{sub C-H} = 80 Hz), which was measured by J-resolved 2D solid-state NMR spectroscopy. The product selectivity in propane metathesis in the presence of [({triple_bond}SiO)Ta({double_bond}CHtBu)-(CH{sub 2}tBu){sub 2}({triple_bond}SiOSi{triple_bond})] (1a') as a catalyst precursor and the inactivity of the surface complex [({triple_bond}SiO)Ta-(CH{sub 3}){sub 3}Cp*({triple_bond}SiOSi{triple_bond})] (2a') show that the active site is required to be highly electrophilic and probably involves a metallacyclobutane intermediate.

  14. Results of Detailed Hydrologic Characterization Tests—Fiscal and Calendar Year 2005

    SciTech Connect

    Spane, Frank A.; Newcomer, Darrell R.

    2008-02-27

    This report provides the results of detailed hydrologic characterization tests conducted within selected Hanford Site wells during fiscal and calendar year 2005. Detailed characterization tests performed included groundwater-flow characterization, barometric response evaluation, slug tests, in-well vertical groundwater-flow assessments, and a single-well tracer and constant-rate pumping test. Hydraulic property estimates obtained from the detailed hydrologic tests include hydraulic conductivity, transmissivity, specific yield, effective porosity, in-well lateral and vertical groundwater-flow velocity, aquifer groundwater-flow velocity, and depth-distribution profiles of hydraulic conductivity. In addition, local groundwater-flow characteristics (i.e., hydraulic gradient and flow direction) were determined for a site where detailed well testing was performed. Results obtained from these tests provide hydrologic information that supports the needs of Resource Conservation and Recovery Act waste management area characterization as well as sitewide groundwater monitoring and modeling programs. These results also reduce the uncertainty of groundwater-flow conditions at selected locations on the Hanford Site.

  15. Resolving detailed molecular structures in complex organic mixtures and modeling their secondary organic aerosol formation

    NASA Astrophysics Data System (ADS)

    Goodman-Rendall, Kevin A. S.; Zhuang, Yang R.; Amirav, Aviv; Chan, Arthur W. H.

    2016-03-01

    Characterization of unresolved complex mixtures (UCMs) remains an ongoing challenge towards developing detailed and accurate inputs for modeling secondary organic aerosol (SOA) formation. Traditional techniques based on gas chromatography/electron impact-mass spectrometry induce excessive fragmentation, making it difficult to speciate and quantify isomers precisely. The goal of this study is to identify individual organic isomers by gas chromatography/mass spectrometry with supersonic molecular beam (SMB-GC/MS, also known as GC/MS with Cold EI) and to incorporate speciated isomers into an SOA model that accounts for the specific structures elucidated. Two samples containing atmospherically relevant UCMs are analyzed. The relative isomer distributions exhibit remarkably consistent trends across a wide range of carbon numbers. Constitutional isomers of different alkanes are speciated and individually quantified as linear, branched - for the first time by position of branching - multiply branched, or unsaturated - by degree of ring substitution and number of rings. Relative amounts of exact molecular structures are used as input parameters in an SOA box model to study the effects of molecular structures on SOA yields and volatility evolution. Highly substituted cyclic, mono-substituted cyclic, and linear species have the highest SOA yields while branched alkanes formed the least SOA. The rate of functionalization of a representative UCM is found to be in agreement with current volatility basis set (VBS) parameterizations based on detailed knowledge of composition and known oxidation mechanisms, confirming the validity of VBS parameters currently used in air quality models.

  16. Detailed Geophysical Fault Characterization in Yucca Flat, Nevada Test Site, Nevada

    USGS Publications Warehouse

    Asch, Theodore H.; Sweetkind, Donald S.; Burton, Bethany L.; Wallin, Erin L.

    2009-01-01

    Yucca Flat is a topographic and structural basin in the northeastern part of the Nevada Test Site (NTS) in Nye County, Nevada. Between the years 1951 and 1992, 659 underground nuclear tests took place in Yucca Flat; most were conducted in large, vertical excavations that penetrated alluvium and the underlying Cenozoic volcanic rocks. Radioactive and other potential chemical contaminants at the NTS are the subject of a long-term program of investigation and remediation by the U.S. Department of Energy (DOE), National Nuclear Security Administration, Nevada Site Office, under its Environmental Restoration Program. As part of the program, the DOE seeks to assess the extent of contamination and to evaluate the potential risks to humans and the environment from byproducts of weapons testing. To accomplish this objective, the DOE Environmental Restoration Program is constructing and calibrating a ground-water flow model to predict hydrologic flow in Yucca Flat as part of an effort to quantify the subsurface hydrology of the Nevada Test Site. A necessary part of calibrating and evaluating a model of the flow system is an understanding of the location and characteristics of faults that may influence ground-water flow. In addition, knowledge of fault-zone architecture and physical properties is a fundamental component of the containment of the contamination from underground nuclear tests, should such testing ever resume at the Nevada Test Site. The goal of the present investigation is to develop a detailed understanding of the geometry and physical properties of fault zones in Yucca Flat. This study was designed to investigate faults in greater detail and to characterize fault geometry, the presence of fault splays, and the fault-zone width. Integrated geological and geophysical studies have been designed and implemented to work toward this goal. This report describes the geophysical surveys conducted near two drill holes in Yucca Flat, the data analyses performed, and the

  17. Detailed Geophysical Fault Characterization in Yucca Flat, Nevada Test Site, Nevada

    SciTech Connect

    Theodore H. Asch; Donald Sweetkind; Bethany L. Burton; Erin L. Wallin

    2009-02-10

    Yucca Flat is a topographic and structural basin in the northeastern part of the Nevada Test Site (NTS) in Nye County, Nevada. Between the years 1951 and 1992, 659 underground nuclear tests took place in Yucca Flat; most were conducted in large, vertical excavations that penetrated alluvium and the underlying Cenozoic volcanic rocks. Radioactive and other potential chemical contaminants at the NTS are the subject of a long-term program of investigation and remediation by the U.S. Department of Energy (DOE), National Nuclear Security Administration, Nevada Site Office, under its Environmental Restoration Program. As part of the program, the DOE seeks to assess the extent of contamination and to evaluate the potential risks to humans and the environment from byproducts of weapons testing. To accomplish this objective, the DOE Environmental Restoration Program is constructing and calibrating a ground-water flow model to predict hydrologic flow in Yucca Flat as part of an effort to quantify the subsurface hydrology of the Nevada Test Site. A necessary part of calibrating and evaluating a model of the flow system is an understanding of the location and characteristics of faults that may influence ground-water flow. In addition, knowledge of fault-zone architecture and physical properties is a fundamental component of the containment of the contamination from underground nuclear tests, should such testing ever resume at the Nevada Test Site. The goal of the present investigation is to develop a detailed understanding of the geometry and physical properties of fault zones in Yucca Flat. This study was designed to investigate faults in greater detail and to characterize fault geometry, the presence of fault splays, and the fault-zone width. Integrated geological and geophysical studies have been designed and implemented to work toward this goal. This report describes the geophysical surveys conducted near two drill holes in Yucca Flat, the data analyses performed, and the

  18. Crystal structure of listeriolysin O reveals molecular details of oligomerization and pore formation

    NASA Astrophysics Data System (ADS)

    Köster, Stefan; van Pee, Katharina; Hudel, Martina; Leustik, Martin; Rhinow, Daniel; Kühlbrandt, Werner; Chakraborty, Trinad; Yildiz, Özkan

    2014-04-01

    Listeriolysin O (LLO) is an essential virulence factor of Listeria monocytogenes that causes listeriosis. Listeria monocytogenes owes its ability to live within cells to the pH- and temperature-dependent pore-forming activity of LLO, which is unique among cholesterol-dependent cytolysins. LLO enables the bacteria to cross the phagosomal membrane and is also involved in activation of cellular processes, including the modulation of gene expression or intracellular Ca2+ oscillations. Neither the pore-forming mechanism nor the mechanisms triggering the signalling processes in the host cell are known in detail. Here, we report the crystal structure of LLO, in which we identified regions important for oligomerization and pore formation. Mutants were characterized by determining their haemolytic and Ca2+ uptake activity. We analysed the pore formation of LLO and its variants on erythrocyte ghosts by electron microscopy and show that pore formation requires precise interface interactions during toxin oligomerization on the membrane.

  19. Probing the Detailed Seismic Velocity Structure of Subduction Zones Using Advanced Seismic Tomography Methods

    NASA Astrophysics Data System (ADS)

    Zhang, H.; Thurber, C. H.

    2005-12-01

    Subduction zones are one of the most important components of the Earth's plate tectonic system. Knowing the detailed seismic velocity structure within and around subducting slabs is vital to understand the constitution of the slab, the cause of intermediate depth earthquakes inside the slab, the fluid distribution and recycling, and tremor occurrence [Hacker et al., 2001; Obara, 2002].Thanks to the ability of double-difference tomography [Zhang and Thurber, 2003] to resolve the fine-scale structure near the source region and the favorable seismicity distribution inside many subducting slabs, it is now possible to characterize the fine details of the velocity structure and earthquake locations inside the slab, as shown in the study of the Japan subduction zone [Zhang et al., 2004]. We further develop the double-difference tomography method in two aspects: the first improvement is to use an adaptive inversion mesh rather than a regular inversion grid and the second improvement is to determine a reliable Vp/Vs structure using various strategies rather than directly from Vp and Vs [see our abstract ``Strategies to solve for a better Vp/Vs model using P and S arrival time'' at Session T29]. The adaptive mesh seismic tomography method is based on tetrahedral diagrams and can automatically adjust the inversion mesh according to the ray distribution so that the inversion mesh nodes are denser where there are more rays and vice versa [Zhang and Thurber, 2005]. As a result, the number of inversion mesh nodes is greatly reduced compared to a regular inversion grid with comparable spatial resolution, and the tomographic system is more stable and better conditioned. This improvement is quite valuable for characterizing the fine structure of the subduction zone considering the highly uneven distribution of earthquakes within and around the subducting slab. The second improvement, to determine a reliable Vp/Vs model, lies in jointly inverting Vp, Vs, and Vp/Vs using P, S, and S

  20. Detailed crustal structure of the North China and its implication for seismicity

    NASA Astrophysics Data System (ADS)

    Jiang, Wenliang; Wang, Xin; Tian, Tian; Zhang, Jingfa; Wang, Donglei

    2014-02-01

    Since the Mesozoic-Cenozoic era the North China Craton has experienced an important tectonic transition and it has given rise to complicated crustal structure and strong earthquake activity. Based on the large-scale surface gravity data, we studied the detailed crustal structure and seismogenic mechanism of the North China. The results indicate that the North China presents typical characteristics of adjoining depression and uplift, alternating basins and hills, inhomogeneous density and also great differences in crustal structure and Moho topography. The upper and middle crustal structures are dominated by the NNE-striking tectonic units, with many faults cut down to the middle crust. The lower crust is characterized by the folding-structure, with high and low-density placed alternately from west to east, presenting lateral heterogeneous feature. Adjusted by the gravity isostasy, Moho topography of the North China fluctuates greatly. Compared with the North China Basin, crustal thickness in the Western Taihang, northern Yanshan and Luzhong areas are much thicker while those densities are lower than the North China Basin. The dominating tectonic direction of the Moho topography strikes NE to NNE and undulates alternately from west to east. The epicenters are mostly concentrated in the upper and middle crust, especially the transitional areas between the high and low-gravity anomalies. The Tancheng earthquake in 1668, Sanhe earthquake in 1673, Tangshan earthquake in 1976, and all other seismic tectonic zones of the North China are all distributed in area where magma moves strongly beneath the crust, which is considered to be related to the movement of the high density, unstable and heat flows along the deep passage from the uppermost and asthenosphere due to the subduction of the Pacific slab towards the Eurasian plate.

  1. Molecular Details of Olfactomedin Domains Provide Pathway to Structure-Function Studies

    PubMed Central

    Hill, Shannon E.; Donegan, Rebecca K.; Nguyen, Elaine; Desai, Tanay M.; Lieberman, Raquel L.

    2015-01-01

    Olfactomedin (OLF) domains are found within extracellular, multidomain proteins in numerous tissues of multicellular organisms. Even though these proteins have been implicated in human disorders ranging from cancers to attention deficit disorder to glaucoma, little is known about their structure(s) and function(s). Here we biophysically, biochemically, and structurally characterize OLF domains from H. sapiens olfactomedin-1 (npoh-OLF, also called noelin, pancortin, OLFM1, and hOlfA), and M. musculus gliomedin (glio-OLF, also called collomin, collmin, and CRG-L2), and compare them with available structures of myocilin (myoc-OLF) recently reported by us and R. norvegicus glio-OLF and M. musculus latrophilin-3 (lat3-OLF) by others. Although the five-bladed β-propeller architecture remains unchanged, numerous physicochemical characteristics differ among these OLF domains. First, npoh-OLF and glio-OLF exhibit prominent, yet distinct, positive surface charges and copurify with polynucleotides. Second, whereas npoh-OLF and myoc-OLF exhibit thermal stabilities typical of human proteins near 55°C, and most myoc-OLF variants are destabilized and highly prone to aggregation, glio-OLF is nearly 20°C more stable and significantly more resistant to chemical denaturation. Phylogenetically, glio-OLF is most similar to primitive OLFs, and structurally, glio-OLF is missing distinguishing features seen in OLFs such as the disulfide bond formed by N- and C- terminal cysteines, the sequestered Ca2+ ion within the propeller central hydrophilic cavity, and a key loop-stabilizing cation-π interaction on the top face of npoh-OLF and myoc-OLF. While deciphering the explicit biological functions, ligands, and binding partners for OLF domains will likely continue to be a challenging long-term experimental pursuit, we used structural insights gained here to generate a new antibody selective for myoc-OLF over npoh-OLF and glio-OLF as a first step in overcoming the impasse in detailed

  2. Molecular Details of Olfactomedin Domains Provide Pathway to Structure-Function Studies.

    PubMed

    Hill, Shannon E; Donegan, Rebecca K; Nguyen, Elaine; Desai, Tanay M; Lieberman, Raquel L

    2015-01-01

    Olfactomedin (OLF) domains are found within extracellular, multidomain proteins in numerous tissues of multicellular organisms. Even though these proteins have been implicated in human disorders ranging from cancers to attention deficit disorder to glaucoma, little is known about their structure(s) and function(s). Here we biophysically, biochemically, and structurally characterize OLF domains from H. sapiens olfactomedin-1 (npoh-OLF, also called noelin, pancortin, OLFM1, and hOlfA), and M. musculus gliomedin (glio-OLF, also called collomin, collmin, and CRG-L2), and compare them with available structures of myocilin (myoc-OLF) recently reported by us and R. norvegicus glio-OLF and M. musculus latrophilin-3 (lat3-OLF) by others. Although the five-bladed β-propeller architecture remains unchanged, numerous physicochemical characteristics differ among these OLF domains. First, npoh-OLF and glio-OLF exhibit prominent, yet distinct, positive surface charges and copurify with polynucleotides. Second, whereas npoh-OLF and myoc-OLF exhibit thermal stabilities typical of human proteins near 55°C, and most myoc-OLF variants are destabilized and highly prone to aggregation, glio-OLF is nearly 20°C more stable and significantly more resistant to chemical denaturation. Phylogenetically, glio-OLF is most similar to primitive OLFs, and structurally, glio-OLF is missing distinguishing features seen in OLFs such as the disulfide bond formed by N- and C- terminal cysteines, the sequestered Ca2+ ion within the propeller central hydrophilic cavity, and a key loop-stabilizing cation-π interaction on the top face of npoh-OLF and myoc-OLF. While deciphering the explicit biological functions, ligands, and binding partners for OLF domains will likely continue to be a challenging long-term experimental pursuit, we used structural insights gained here to generate a new antibody selective for myoc-OLF over npoh-OLF and glio-OLF as a first step in overcoming the impasse in detailed

  3. Creating Imaginative Worlds: Unique Details and Structure in Norma Fox Mazer's Young Adult Fiction.

    ERIC Educational Resources Information Center

    Angel, Ann

    2001-01-01

    Discusses how writer Norma Fox Mazer has helped many readers make the leap between reality and imagination simply in the way she handles details in the lives of her characters. Explores the ideas of communicating with detail, experimenting with structure, and playing with time in crucial scenes. (SG)

  4. 36. ARCHITECTURAL AND STRUCTURAL DETAILS OF ELEVATOR HOUSING, NaK HEATER ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    36. ARCHITECTURAL AND STRUCTURAL DETAILS OF ELEVATOR HOUSING, NaK HEATER STACK ROOF FLASHING, HOOD ELEVATION DETAIL. INCLUDES PARTIAL 'BILL OF MATERIAL.' INEEL DRAWING NUMBER 200-0633-00-287-106361. FLUOR NUMBER 5775-CPP-633-A-11. - Idaho National Engineering Laboratory, Old Waste Calcining Facility, Scoville, Butte County, ID

  5. 22. U.S. Route 60 grade separation structure. Detail of the ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    22. U.S. Route 60 grade separation structure. Detail of the arch stones on the east elevation. View facing north. - Blue Ridge Parkway, Between Shenandoah National Park & Great Smoky Mountains, Asheville, Buncombe County, NC

  6. Detail of antenna tower structure, looking northnorthwest OvertheHorizon Backscatter ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Detail of antenna tower structure, looking north-northwest - Over-the-Horizon Backscatter Radar Network, Tulelake Radar Site Receive Sector Five Antenna Array, Unnamed Road West of Double Head Road, Tulelake, Siskiyou County, CA

  7. Seizures induced by pentylenetetrazole in the adult zebrafish: a detailed behavioral characterization.

    PubMed

    Mussulini, Ben Hur M; Leite, Carlos E; Zenki, Kamila C; Moro, Luana; Baggio, Suelen; Rico, Eduardo P; Rosemberg, Denis B; Dias, Renato D; Souza, Tadeu M; Calcagnotto, Maria E; Campos, Maria M; Battastini, Ana M; de Oliveira, Diogo L

    2013-01-01

    Pentylenetetrazole (PTZ) is a common convulsant agent used in animal models to investigate the mechanisms of seizures. Although adult zebrafish have been recently used to study epileptic seizures, a thorough characterization of the PTZ-induced seizures in this animal model is missing. The goal of this study was to perform a detailed temporal behavior profile characterization of PTZ-induced seizure in adult zebrafish. The behavioral profile during 20 min of PTZ immersion (5, 7.5, 10, and 15 mM) was characterized by stages defined as scores: (0) short swim, (1) increased swimming activity and high frequency of opercular movement, (2) erratic movements, (3) circular movements, (4) clonic seizure-like behavior, (5) fall to the bottom of the tank and tonic seizure-like behavior, (6) death. Animals exposed to distinct PTZ concentrations presented different seizure profiles, intensities and latencies to reach all scores. Only animals immersed into 15 mM PTZ showed an increased time to return to the normal behavior (score 0), after exposure. Total mortality rate at 10 and 15 mM were 33% and 50%, respectively. Considering all behavioral parameters, 5, 7.5, 10, and 15 mM PTZ, induced seizures with low, intermediate, and high severity, respectively. Pretreatment with diazepam (DZP) significantly attenuated seizure severity. Finally, the brain PTZ levels in adult zebrafish immersed into the chemoconvulsant solution at 5 and 10 mM were comparable to those described for the rodent model, with a peak after a 20-min of exposure. The PTZ brain levels observed after 2.5-min PTZ exposure and after 60-min removal from exposure were similar. Altogether, our results showed a detailed temporal behavioral characterization of a PTZ epileptic seizure model in adult zebrafish. These behavioral analyses and the simple method for PTZ quantification could be considered as important tools for future investigations and translational research. PMID:23349914

  8. Detailed Characterization of Human Induced Pluripotent Stem Cells Manufactured for Therapeutic Applications.

    PubMed

    Baghbaderani, Behnam Ahmadian; Syama, Adhikarla; Sivapatham, Renuka; Pei, Ying; Mukherjee, Odity; Fellner, Thomas; Zeng, Xianmin; Rao, Mahendra S

    2016-08-01

    We have recently described manufacturing of human induced pluripotent stem cells (iPSC) master cell banks (MCB) generated by a clinically compliant process using cord blood as a starting material (Baghbaderani et al. in Stem Cell Reports, 5(4), 647-659, 2015). In this manuscript, we describe the detailed characterization of the two iPSC clones generated using this process, including whole genome sequencing (WGS), microarray, and comparative genomic hybridization (aCGH) single nucleotide polymorphism (SNP) analysis. We compare their profiles with a proposed calibration material and with a reporter subclone and lines made by a similar process from different donors. We believe that iPSCs are likely to be used to make multiple clinical products. We further believe that the lines used as input material will be used at different sites and, given their immortal status, will be used for many years or even decades. Therefore, it will be important to develop assays to monitor the state of the cells and their drift in culture. We suggest that a detailed characterization of the initial status of the cells, a comparison with some calibration material and the development of reporter sublcones will help determine which set of tests will be most useful in monitoring the cells and establishing criteria for discarding a line. PMID:27283945

  9. Detailed Functional and Proteomic Characterization of Fludarabine Resistance in Mantle Cell Lymphoma Cells

    PubMed Central

    Lorkova, Lucie; Scigelova, Michaela; Arrey, Tabiwang Ndipanquang; Vit, Ondrej; Pospisilova, Jana; Doktorova, Eliska; Klanova, Magdalena; Alam, Mahmudul; Vockova, Petra; Maswabi, Bokang

    2015-01-01

    Mantle cell lymphoma (MCL) is a chronically relapsing aggressive type of B-cell non-Hodgkin lymphoma considered incurable by currently used treatment approaches. Fludarabine is a purine analog clinically still widely used in the therapy of relapsed MCL. Molecular mechanisms of fludarabine resistance have not, however, been studied in the setting of MCL so far. We therefore derived fludarabine-resistant MCL cells (Mino/FR) and performed their detailed functional and proteomic characterization compared to the original fludarabine sensitive cells (Mino). We demonstrated that Mino/FR were highly cross-resistant to other antinucleosides (cytarabine, cladribine, gemcitabine) and to an inhibitor of Bruton tyrosine kinase (BTK) ibrutinib. Sensitivity to other types of anti-lymphoma agents was altered only mildly (methotrexate, doxorubicin, bortezomib) or remained unaffacted (cisplatin, bendamustine). The detailed proteomic analysis of Mino/FR compared to Mino cells unveiled over 300 differentially expressed proteins. Mino/FR were characterized by the marked downregulation of deoxycytidine kinase (dCK) and BTK (thus explaining the observed crossresistance to antinucleosides and ibrutinib), but also by the upregulation of several enzymes of de novo nucleotide synthesis, as well as the up-regulation of the numerous proteins of DNA repair and replication. The significant upregulation of the key antiapoptotic protein Bcl-2 in Mino/FR cells was associated with the markedly increased sensitivity of the fludarabine-resistant MCL cells to Bcl-2-specific inhibitor ABT199 compared to fludarabine-sensitive cells. Our data thus demonstrate that a detailed molecular analysis of drug-resistant tumor cells can indeed open a way to personalized therapy of resistant malignancies. PMID:26285204

  10. Comparison of different computed radiography systems: Physical characterization and contrast detail analysis

    SciTech Connect

    Rivetti, Stefano; Lanconelli, Nico; Bertolini, Marco; Nitrosi, Andrea; Burani, Aldo; Acchiappati, Domenico

    2010-02-15

    Purpose: In this study, five different units based on three different technologies--traditional computed radiography (CR) units with granular phosphor and single-side reading, granular phosphor and dual-side reading, and columnar phosphor and line-scanning reading--are compared in terms of physical characterization and contrast detail analysis. Methods: The physical characterization of the five systems was obtained with the standard beam condition RQA5. Three of the units have been developed by FUJIFILM (FCR ST-VI, FCR ST-BD, and FCR Velocity U), one by Kodak (Direct View CR 975), and one by Agfa (DX-S). The quantitative comparison is based on the calculation of the modulation transfer function (MTF), noise power spectrum (NPS), and detective quantum efficiency (DQE). Noise investigation was also achieved by using a relative standard deviation analysis. Psychophysical characterization is assessed by performing a contrast detail analysis with an automatic reading of CDRAD images. Results: The most advanced units based on columnar phosphors provide MTF values in line or better than those from conventional CR systems. The greater thickness of the columnar phosphor improves the efficiency, allowing for enhanced noise properties. In fact, NPS values for standard CR systems are remarkably higher for all the investigated exposures and especially for frequencies up to 3.5 lp/mm. As a consequence, DQE values for the three units based on columnar phosphors and line-scanning reading, or granular phosphor and dual-side reading, are neatly better than those from conventional CR systems. Actually, DQE values of about 40% are easily achievable for all the investigated exposures. Conclusions: This study suggests that systems based on the dual-side reading or line-scanning reading with columnar phosphors provide a remarkable improvement when compared to conventional CR units and yield results in line with those obtained from most digital detectors for radiography.

  11. Detailed characterization and profiles of crankcase and diesel particulate matter exhaust emissions using speciated organics.

    PubMed

    Zielinska, Barbara; Campbell, David; Lawson, Douglas R; Ireson, Robert G; Weaver, Christopher S; Hesterberg, Thomas W; Larson, Timothy; Davey, Mark; Liu, L J Sally

    2008-08-01

    A monitoring campaign was conducted in August-September 2005 to compare different experimental approaches quantifying school bus self-pollution. As part of this monitoring campaign, a detailed characterization of PM2.5 diesel engine emissions from the tailpipe and crankcase emissions from the road draft tubes was performed. To distinguish between tailpipe and crankcase vent emissions, a deuterated alkane, n-hexatriacontane-d74 (n-C36D74) was added to the engine oil to serve as an intentional quantitative tracer for lubricating oil PM emissions. This paper focuses on the detailed chemical speciation of crankcase and tailpipe PM emissions from two school buses used in this study. We found that organic carbon emission rates were generally higher from the crankcase than from the tailpipe for these two school buses, while elemental carbon contributed significantly only in the tailpipe emissions. The n-C36D74 that was added to the engine oil was emitted at higher rates from the crankcase than the tailpipe. Tracers of engine oil (hopanes and steranes) were present in much higher proportion in crankcase emissions. Particle-associated PAH emission rates were generally very low (< 1 microg/km), but more PAH species were present in crankcase than in tailpipe emissions. The speciation of samples collected in the bus cabins was consistent with most of the bus self-pollution originating from crankcase emissions. PMID:18754490

  12. Detailed Characterization and Profiles of Crankcase and Diesel Particular Matter Exhaust Emissions Using Speciated Organics

    PubMed Central

    Zielinska, Barbara; Campbell, David; Lawson, Douglas R.; Ireson, Robert G.; Weaver, Christopher S.; Hesterberg, Thomas W.; Larson, Timothy; Davey, Mark; Liu, L.-J. Sally

    2008-01-01

    A monitoring campaign was conducted in August-September 2005 to compare different experimental approaches quantifying school bus self-pollution. As part of this monitoring campaign, a detailed characterization of PM2.5 diesel engine emissions from the tailpipe and crankcase emissions from the road draft tubes was performed. To distinguish between tailpipe and crankcase vent emissions, a deuterated alkane, n-hexatriacontane-d74 (n-C36D74) was added to the engine oil to serve as intentional quantitative tracers for lubricating oil PM emissions. This paper focuses on the detailed chemical speciation of crankcase and tailpipe PM emissions from two school buses used in this study. We found that organic carbon emission rates were generally higher from the crankcase than from the tailpipe for these two school buses, while elemental carbon contributed significantly only in the tailpipe emissions. The n-C36D74 that was added to the engine oil was emitted at higher rates from the crankcase than the tailpipe. Tracers of engine oil (hopanes, and steranes) were present in much higher proportion in crankcase emissions. Particle-associated PAH emission rates were generally very low (< 1 μg/km), but more PAH species were present in crankcase than in tailpipe emissions. The speciation of samples collected in the bus cabins was consistent with most of the bus self-pollution originating from crankcase emissions. PMID:18754490

  13. Detailed Studies on the Structure and Dynamics of Reacting Dusty Flows at Normal and Microgravity

    NASA Technical Reports Server (NTRS)

    Andac, M. Gurhan; Cracchiola, Brad; Egolfopoulos, Fokion N.; Campbell, Charles S.

    1999-01-01

    Dusty reacting flows are of particular interest for a wide range of applications. Inert particles can alter the flammability and extinction limits of a combustible mixture. Reacting particles can release substantial amount of heat and can be used either for power generation or propulsion. Accumulation of combustible particles in air can result in explosions which, for example, can occur in grain elevators, during lumber milling and in mine galleries. Furthermore, inert particles are used as flow velocity markers in reacting flows, and their velocity is measured by non-intrusive laser diagnostic techniques. Despite their importance, dusty reacting flows have been less studied and understood compared to gas phase as well as sprays. The addition of solid particles in a flowing gas stream can lead to strong couplings between the two phases, which can be of dynamic, thermal, and chemical nature. The dynamic coupling between the two phases is caused by the inertia that causes the phases to move with different velocities. Furthermore, gravitational, thermophoretic, photophoretic, electrophoretic, diffusiophoretic, centrifugal, and magnetic forces can be exerted on the particles. In general, magnetic, electrophoretic, centrifugal, photophoretic, and diffusiophoretic can be neglected. On the other hand, thermophoretic forces, caused by steep temperature gradients, can be important. The gravitational forces are almost always present and can affect the dynamic response of large particles. Understanding and quantifying the chemical coupling between two phases is a challenging task. However, all reacting particles begin this process as inert particles, and they must be heated before they participate in the combustion process. Thus, one must first understand the interactions of inert particles in a combustion environment. The in-detail understanding of the dynamics and structure of dusty flows can be only advanced by considering simple flow geometries such as the opposed

  14. Detailed Characterization of Particulates Emitted by Pre-Commercial Single-Cylinder Gasoline Compression Ignition Engine

    SciTech Connect

    Zelenyuk, Alla; Reitz, Paul; Stewart, Mark L.; Imre, D.; Loeper, Paul; Adams, Cory; Andrie, Michael; Rothamer, David; Foster, David E.; Narayanaswamy, Kushal; Najt, Paul M.; Solomon, Arun S.

    2014-08-01

    Gasoline Compression Ignition (GCI) engines have the potential to achieve high fuel efficiency and to significantly reduce both NOx and particulate matter (PM) emissions by operating under dilute partially-premixed conditions. This low temperature combustion strategy is dependent upon direct-injection of gasoline during the compression stroke and potentially near top dead center (TDC). The timing and duration of the in-cylinder injections can be tailored based on speed and load to create optimized conditions that result in a stable combustion. We present the results of advanced aerosol analysis methods that have been used for detailed real-time characterization of PM emitted from a single-cylinder GCI engine operated at different speed, load, timing, and number and duration of near-TDC fuel injections. PM characterization included 28 measurements of size and composition of individual particles sampled directly from the exhaust and after mass and/or mobility classification. We use these data to calculate particle effective density, fractal dimension, dynamic shape factors in free-molecular and transition flow regimes, average diameter of primary spherules, number of spherules, and void fraction of soot agglomerates.

  15. AN ASSESSMENT OF SIMPLIFIED VS. DETAILED METHODOLOGIES FOR SSI ANALYSES OF DEEPLY EMBEDDED STRUCTURES.

    SciTech Connect

    XU,J.MILLER,C.HOFMAYER,C.GRAVES,H.

    2004-03-04

    Sponsored by the US Nuclear Regulatory Commission (NRC), Brookhaven National Laboratory (BNL) is carrying out a research program to develop a technical basis to support the safety evaluation of deeply embedded and/or buried (DEB) structures as proposed for advanced reactor designs. In this program, the methods and computer programs established for the assessment of soil-structure interaction (SSI) effects for the current generation of light water reactors are evaluated to determine their applicability and adequacy in capturing the seismic behavior of DEB structures. This paper presents an assessment of the simplified vs. detailed methodologies for seismic analyses of DEB structures. In this assessment, a lump-mass beam model is used for the simplified approach and a finite element representation is employed for the detailed method. A typical containment structure embedded in a soil profile representative of a typical nuclear power plant site was utilized, considering various embedment depths from shallow to full burial. BNL used the CARES program for the simplified model and the SASSI2000 program for the detailed analyses. The calculated response spectra at the key locations of the DEB structure are used for the performance assessment of the applied methods for different depths of burial. Included in the paper are: (1) the description of both the simplified and detailed models for the SSI analyses of the DEB structure, (2) the comparison of the analysis results for the different depths of burial between the two methods, and (3) the performance assessment of the analysis methodologies for SSI analyses of DEB structures. The resulting assessment from this study has indicated that simplified methods may be capable of capturing the seismic response for much deeper embedded structures than would be normally allowed by the standard practice.

  16. Detailed imaging of flowing structures at depth using microseismicity: a tool for site investigation?

    NASA Astrophysics Data System (ADS)

    Pytharouli, S.; Lunn, R. J.; Shipton, Z. K.

    2011-12-01

    Field evidence shows that faults and fractures can act as focused pathways or barriers for fluid migration. This is an important property for modern engineering problems, e.g., CO2 sequestration, geological radioactive waste disposal, geothermal energy exploitation, land reclamation and remediation. For such applications the detailed characterization of the location, orientation and hydraulic properties of existing fractures is necessary. These investigations are expensive, requiring the hire of expensive equipment (excavator or drill rigs), which incur standing charges when not in use. In addition, they only provide information for discrete sample 'windows'. Non-intrusive methods have the ability to gather information across an entire area. Methods including electrical resistivity/conductivity and ground penetrating radar (GRP), have been used as tools for site investigations. Their imaging ability is often restricted due to unfavourable on-site conditions e.g. GRP is not useful in cases where a layer of clay or reinforced concrete is present. Our research has shown that high quality seismic data can be successfully used in the detailed imaging of sub-surface structures at depth; using induced microseismicity data recorded beneath the Açu reservoir in Brazil we identified orientations and values of average permeability of open shear fractures at depths up to 2.5km. Could microseismicity also provide information on the fracture width in terms of stress drops? First results from numerical simulations showed that higher stress drop values correspond to narrower fractures. These results were consistent with geological field observations. This study highlights the great potential of using microseismicity data as a supplementary tool for site investigation. Individual large-scale shear fractures in large rock volumes cannot currently be identified by any other geophysical dataset. The resolution of the method is restricted by the detection threshold of the local

  17. Structure A, reinforcing details. Drawing No. H2302, as built, Original ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Structure A, reinforcing details. Drawing No. H2-302, as built, Original drawing by Black & Veatch, Consulting Engineers, Kansas City, Missouri, prepared for the U.S. Department of the Army, Office of Engineers, Military Construction Division, Washington, D.C. dated October 1, 1951. - Travis Air Force Base, Building No. 925, W Street, Fairfield, Solano County, CA

  18. Detail of insulator array at Hframe structure on RyantoRainbow Line ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Detail of insulator array at H-frame structure on Ryan-to-Rainbow Line 2 about three and one-fourth miles southwest of Ryan Dam. Array has three historic porcelain suspension insulators - Ryan Hydroelectric Facility, Ryan-to-Rainbow 100 kV Transmission Line, West bank of Missouri River, northeast of Great Falls, Great Falls, Cascade County, MT

  19. Detail of MoronytoRainbow Hframe structure just east of Ryan Dam ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Detail of Morony-to-Rainbow H-frame structure just east of Ryan Dam Road showing three historic porcelain suspension insulators in strings of six. View to east - Morony Hydroelectric Facility, Morony-to-Rainbow 100 kV Transmission Line, West bank of the Missouri River, Great Falls, Cascade County, MT

  20. Detail of insulator array at Hframe structure on RyantoRainbow Line ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Detail of insulator array at H-frame structure on Ryan-to-Rainbow Line 1 about three miles southwest of Ryan Dam. Array has one historic porcelain suspension insulator and two non-ceramic insulators - Ryan Hydroelectric Facility, Ryan-to-Rainbow 100 kV Transmission Line, West bank of Missouri River, northeast of Great Falls, Great Falls, Cascade County, MT

  1. 11. 22'X34' original blueprint, VariableAngle Launcher, 'CONTROL STATION STRUCTURAL DETAILS' ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    11. 22'X34' original blueprint, Variable-Angle Launcher, 'CONTROL STATION STRUCTURAL DETAILS' drawn at 1 1/2'=1'-0'. (BUORD Sketch # 208401). - Variable Angle Launcher Complex, Control Station, CA State Highway 39 at Morris Reservior, Azusa, Los Angeles County, CA

  2. STRUCTURAL DETAILS AND SECTIONS OF MAIN PROCESSING BUILDING (CPP601). INL ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    STRUCTURAL DETAILS AND SECTIONS OF MAIN PROCESSING BUILDING (CPP-601). INL DRAWING NUMBER 200-0601-00-291-103079. ALTERNATE ID NUMBER 542-11-B-73. - Idaho National Engineering Laboratory, Idaho Chemical Processing Plant, Fuel Reprocessing Complex, Scoville, Butte County, ID

  3. Probing the structural details of xylan degradation by real-time NMR spectroscopy.

    PubMed

    Petersen, Bent Ole; Lok, Finn; Meier, Sebastian

    2014-11-01

    The biodegradation of abundantly available cell wall polysaccharides has recently received much attention, not least because cell wall polysaccharides are substrates for the human gut microbiota and for environmentally sustainable processes of biomass conversion to value-added compounds. A major fraction of cereal cell wall polysaccharides consists of arabinoxylans. Arabinoxylan and its degradation products are therefore present in a variety of agro-industrial residues and products. Here, we undertook to track the structural details of wheat arabinoxylan degradation with high resolution NMR spectroscopy. More than 15 carbohydrate residues were distinguished in the substrate and more than 20 residues in partially degraded samples without any sample cleanup. The resolution of a plethora of structural motifs in situ permits the readout of persisting structures in degradation processes and in products. Reaction progress was visualized for the biodegradation of arabinoxylan by different crude microbial enzyme preparations. The direct observation of structural details in complex mixtures containing arabinoxylan fragments is significant, as such structural details reportedly modulate the health-promoting functions of arabinoxylan fragments. PMID:25129786

  4. Detailed requirements document for the integrated structural analysis system, phase B

    NASA Technical Reports Server (NTRS)

    Rainey, J. A.

    1976-01-01

    The requirements are defined for a software system entitled integrated Structural Analysis System (ISAS) Phase B which is being developed to provide the user with a tool by which a complete and detailed analysis of a complex structural system can be performed. This software system will allow for automated interface with numerous structural analysis batch programs and for user interaction in the creation, selection, and validation of data. This system will include modifications to the 4 functions developed for ISAS, and the development of 25 new functions. The new functions are described.

  5. PROCESS WATER BUILDING, TRA605. BASEMENT FLOOR PLAN AND STRUCTURAL DETAILS. ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    PROCESS WATER BUILDING, TRA-605. BASEMENT FLOOR PLAN AND STRUCTURAL DETAILS. SUMP TANK (DIAMETER 33 FEET; CAPACITY 100,000 GALLONS) LOCATION IN HIGH ROOF SECTION ON WEST SIDE. REPAIR SHOP AND STORAGE AREA IN LOW-ROOF AREA. WALL DETAILS: THICKNESS OF REINFORCED CONCRETE RANGES FROM 1'-6" TO 2' THICK. FOUNDATIONS FOR FIVE CELLS ENCLOSING PUMPS. BLAW-KNOX 3150-805-2, 12/1950. INL INDEX NO. 531-0605-62-098-100658, REV. 3. - Idaho National Engineering Laboratory, Test Reactor Area, Materials & Engineering Test Reactors, Scoville, Butte County, ID

  6. Ultrasonic characterization of structural ceramics

    NASA Technical Reports Server (NTRS)

    Klima, S. J.; Baaklini, G. Y.

    1986-01-01

    Ultrasonic velocity and attenuation measurements were used to characterize density and microstructure in monolithic silicon nitride and silicon carbide. Research samples of these structural ceramics exhibited a wide range of density and microstructural variations. It was shown that bulk density variations correlate with and can be estimated by velocity measurements. Variations in microstructural features such as grain size or shape and pore morphology had a minor effect on velocity. However, these features had a pronounced effect on ultrasonic attenuation. The ultrasonic results are supplemented by low-energy radiography and scanning laser acoustic microscopy.

  7. Instrumentation for the Characterization of Inflatable Structures

    NASA Technical Reports Server (NTRS)

    Swanson, Gregory T.; Cassell, Alan M.; Johnson, R. Keith

    2012-01-01

    Current entry, descent, and landing technologies are not practical for heavy payloads due to mass and volume constraints dictated by limitations imposed by launch vehicle fairings. Therefore, new technologies are now being explored to provide a mass- and volume-efficient solution for heavy payload capabilities, including Inflatable Aerodynamic Decelerators (IAD) [1]. Consideration of IADs for space applications has prompted the development of instrumentation systems for integration with flexible structures to characterize system response to flight-like environment testing. This development opportunity faces many challenges specific to inflatable structures in extreme environments, including but not limited to physical flexibility, packaging, temperature, structural integration and data acquisition [2]. In the spring of 2012, two large scale Hypersonic Inflatable Aerodynamic Decelerators (HIAD) will be tested in the National Full-Scale Aerodynamics Complex s 40 by 80 wind tunnel at NASA Ames Research Center. The test series will characterize the performance of a 3.0 m and 6.0 m HIAD at various angles of attack and levels of inflation during flight-like loading. To analyze the performance of these inflatable test articles as they undergo aerodynamic loading, many instrumentation systems have been researched and developed. These systems will utilize new experimental sensing systems developed by the HIAD ground test campaign instrumentation team, in addition to traditional wind tunnel sensing techniques in an effort to improve test article characterization and model validation. During the 2012 test series the instrumentation systems will target inflatable aeroshell static and dynamic deformation, structural strap loading, surface pressure distribution, localized skin deflection, and torus inflation pressure. This paper will offer an overview of inflatable structure instrumentation, and provide detail into the design and implementation of the sensors systems that will

  8. Detailed characterizations of a Comparative Reactivity Method (CRM) instrument: experiments vs. modelling

    NASA Astrophysics Data System (ADS)

    Michoud, V.; Hansen, R. F.; Locoge, N.; Stevens, P. S.; Dusanter, S.

    2015-04-01

    The Hydroxyl radical (OH) is an important oxidant in the daytime troposphere that controls the lifetime of most trace gases, whose oxidation leads to the formation of harmful secondary pollutants such as ozone (O3) and Secondary Organic Aerosols (SOA). In spite of the importance of OH, uncertainties remain concerning its atmospheric budget and integrated measurements of the total sink of OH can help reducing these uncertainties. In this context, several methods have been developed to measure the first-order loss rate of ambient OH, called total OH reactivity. Among these techniques, the Comparative Reactivity Method (CRM) is promising and has already been widely used in the field and in atmospheric simulation chambers. This technique relies on monitoring competitive OH reactions between a reference molecule (pyrrole) and compounds present in ambient air inside a sampling reactor. However, artefacts and interferences exist for this method and a thorough characterization of the CRM technique is needed. In this study, we present a detailed characterization of a CRM instrument, assessing the corrections that need to be applied on ambient measurements. The main corrections are, in the order of their integration in the data processing: (1) a correction for a change in relative humidity between zero air and ambient air, (2) a correction for the formation of spurious OH when artificially produced HO2 react with NO in the sampling reactor, and (3) a correction for a deviation from pseudo first-order kinetics. The dependences of these artefacts to various measurable parameters, such as the pyrrole-to-OH ratio or the bimolecular reaction rate constants of ambient trace gases with OH are also studied. From these dependences, parameterizations are proposed to correct the OH reactivity measurements from the abovementioned artefacts. A comparison of experimental and simulation results is then discussed. The simulations were performed using a 0-D box model including either (1) a

  9. OBSERVATIONS OF DETAILED STRUCTURE IN THE SOLAR WIND AT 1 AU WITH STEREO/HI-2

    SciTech Connect

    DeForest, C. E.; Howard, T. A.; Tappin, S. J. E-mail: howard@boulder.swri.edu

    2011-09-01

    We present images of solar wind electron density structures at distances of 1 AU, extracted from the STEREO/HI-2 data. Collecting the images requires separating the Thomson-scattered signal from the other background/foreground sources that are 10{sup 3} times brighter. Using a combination of techniques, we are able to generate calibrated imaging data of the solar wind with sensitivity of a few x 10{sup -17} B{sub sun}, compared to the background signal of a few x 10{sup -13} B{sub sun}, using only the STEREO/HI-2 Level 1 data as input. These images reveal detailed spatial structure in coronal mass ejections (CMEs) and the solar wind at projected solar distances in excess of 1 AU, at the instrumental motion-blur resolution limit of 1{sup 0}-3{sup 0}. CME features visible in the newly reprocessed data from 2008 December include leading-edge pileup, interior voids, filamentary structure, and rear cusps. 'Quiet' solar wind features include V-shaped structures centered on the heliospheric current sheet, plasmoids, and 'puffs' that correspond to the density fluctuations observed in situ. We compare many of these structures with in situ features detected near 1 AU. The reprocessed data demonstrate that it is possible to perform detailed structural analyses of heliospheric features with visible light imagery, at distances from the Sun of at least 1 AU.

  10. Detailed characterization of the dynamics of thermoacoustic pulsations in a lean premixed swirl flame

    SciTech Connect

    Meier, W.; Weigand, P.; Duan, X.R.; Giezendanner-Thoben, R.

    2007-07-15

    A nozzle configuration for technically premixed gas turbine flames was operated with CH{sub 4} and air at atmospheric pressure. The flames were confined by a combustion chamber with large quartz windows, allowing the application of optical and laser diagnostics. In a distinct range of operating conditions the flames exhibited strong self-excited thermoacoustic pulsations at a frequency around 290 Hz. A flame with P=25kW thermal power and an equivalence ratio of {phi}=0.7 was chosen as a target flame in order to analyze the dynamics and the feedback mechanism of the periodic instability in detail. The velocity field was measured by three-component laser Doppler velocimetry, the flame structures were measured by chemiluminescence imaging and planar laser-induced fluorescence of OH, and the joint probability density functions of major species concentrations, mixture fraction, and temperature were measured by laser Raman scattering. All measuring techniques were applied in a phase-locked mode with respect to the phase angle of the periodic pulsation. In addition to the pulsating flame, a nonpulsating flame with increased fuel flow rate (P=30kW, {phi}=0.83) was studied for comparison. The measurements revealed significant differences between the structures of the pulsating and the nonpulsating (or ''quiet'') flame. Effects of finite-rate chemistry and unmixedness were observed in both flames but were more pronounced in the pulsating flame. The phase-locked measurements revealed large variations of all measured quantities during an oscillation cycle. This yielded a clear picture of the sequence of events and allowed the feedback mechanism of the instability to be identified and described quantitatively. The data set presents a very good basis for the verification of numerical combustion simulations because the boundary conditions of the experiment were well-defined and the most important quantities were measured with a high accuracy. (author)

  11. 12. "OBSERVATION POSTS, STRUCTURAL PLANS AND DETAILS." Specifications No. OC25572; ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    12. "OBSERVATION POSTS, STRUCTURAL PLANS AND DETAILS." Specifications No. OC2-55-72; Drawing No. 60-09-12; sheet 89 of 148; file no. 1321/40, Rev. A. Very faint stamp above note reads: RECORD DRAWING - AS CONSTRUCTED. Below stamp: Contract no. 4338, no change. - Edwards Air Force Base, Air Force Rocket Propulsion Laboratory, Observation Bunkers for Test Stand 1-A, Test Area 1-120, north end of Jupiter Boulevard, Boron, Kern County, CA

  12. Toward Mapping the Detailed Density Structure of Classical Be Circumstellar Disks

    NASA Technical Reports Server (NTRS)

    Wisniewski, J. P.; Kowalski, A. F.; Bjorkman, K. S.; Bjorkman, J. E.

    2005-01-01

    We present the preliminary results of near contemporaneous optical and infrared spectroscopic observations of select classical Be stars. We find strong evidence of oppositely oriented V/R hydrogen line profiles in the optical versus infrared spectra of zeta Tau, and briefly discuss how sustained contemporaneous optical and infrared spectroscopic observations might enable us to trace the detailed density structure of classical Be circumstellar disks.

  13. Structure A, protective alarm installation details. Drawing no. H3709, revised ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    Structure A, protective alarm installation details. Drawing no. H3-709, revised as-built dated August 28, 1952. Original drawing by Black & Veatch, consulting engineers, Kansas City, Missouri, prepared for the U.S. Department of the Army, Office of Engineers, Military Construction Division, Washington, D.C. dated October 1, 1951. - Travis Air Force Base, Building No. 925, W Street, Fairfield, Solano County, CA

  14. A&M. TAN607. Construction detail showing structural steel framework with reinforcing ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    A&M. TAN-607. Construction detail showing structural steel framework with reinforcing steel in place prior to pouring concrete for biparting doors between hot shop and special equipment service (SES) room. Facing north. Hot shop to left, SES room to right. slot for north half of door shows at upper left of view. Date: May 21, 1954. INEEL negative no. 10548 - Idaho National Engineering Laboratory, Test Area North, Scoville, Butte County, ID

  15. Structure of the full-length insecticidal protein Cry1Ac reveals intriguing details of toxin packaging into in vivo formed crystals

    PubMed Central

    Evdokimov, Artem G; Moshiri, Farhad; Sturman, Eric J; Rydel, Timothy J; Zheng, Meiying; Seale, Jeffrey W; Franklin, Sonya

    2014-01-01

    For almost half a century, the structure of the full-length Bacillus thuringiensis (Bt) insecticidal protein Cry1Ac has eluded researchers, since Bt-derived crystals were first characterized in 1965. Having finally solved this structure we report intriguing details of the lattice-based interactions between the toxic core of the protein and the protoxin domains. The structure provides concrete evidence for the function of the protoxin as an enhancer of native crystal packing and stability. PMID:25139047

  16. Structural details of light activation of the LOV2-based photoswitch PA-Rac1.

    PubMed

    Winkler, Andreas; Barends, Thomas R M; Udvarhelyi, Anikó; Lenherr-Frey, Daniel; Lomb, Lukas; Menzel, Andreas; Schlichting, Ilme

    2015-02-20

    Optical control of cellular processes is an emerging approach for studying biological systems, affording control with high spatial and temporal resolution. Specifically designed artificial photoswitches add an interesting extension to naturally occurring light-regulated functionalities. However, despite a great deal of structural information, the generation of new tools cannot be based fully on rational design yet; in many cases design is limited by our understanding of molecular details of light activation and signal transduction. Our biochemical and biophysical studies on the established optogenetic tool PA-Rac1, the photoactivatable small GTPase Rac1, reveal how unexpected details of the sensor-effector interface, such as metal coordination, significantly affect functionally important structural elements of this photoswitch. Together with solution scattering experiments, our results favor differences in the population of pre-existing conformations as the underlying allosteric activation mechanism of PA-Rac1, rather than the assumed release of the Rac1 domain from the caging photoreceptor domain. These results have implications for the design of new optogenetic tools and highlight the importance of including molecular details of the sensor-effector interface, which is however difficult to assess during the initial design of novel artificial photoswitches. PMID:25368973

  17. Detailed design of an SMA-actuated self-locking device for rotary feed structure

    NASA Astrophysics Data System (ADS)

    Xiaoyu, Qin; Xiaojun, Yan; Xiaoyong, Zhang; Weibing, Wang; Lianghai, Li

    2016-03-01

    This paper presents a detailed design of a locking device which is used to lock the rotary feed structure of a space-borne microwave radiometer during the launching stage. This locking device employs two redundant shape memory alloy (SMA) wires as the actuating elements, uses a self-locking structure to achieve the locking function and a step structure to ensure a safety clearance after release. Based on the design concept, preliminary design of the locking/release unit and the clamp unit are performed. Then, a more accurate simulation of the release process and the cyclic property of the device is carried out by using an improved Brinson’s SMA constitutive model and a heat transfer equation. After the design and simulation, four prototypes are fabricated and their performance tests are carried out to evaluate the self-locking property, lifetime and thermal tolerance.

  18. Structural characterization of multimetallic nanoparticles

    NASA Astrophysics Data System (ADS)

    Mukundan, Vineetha

    Bimetallic and trimetallic alloy nanoparticles have enhanced catalytic activities due to their unique structural properties. Using in situ time-resolved synchrotron based x-ray diffraction, we investigated the structural properties of nanoscale catalysts undergoing various heat treatments. Thermal treatment brings about changes in particle size, morphology, dispersion of metals on support, alloying, surface electronic properties, etc. First, the mechanisms of coalescence and grain growth in PtNiCo nanoparticles supported on planar silica on silicon were examined in detail in the temperature range 400-900°C. The sintering process in PtNiCo nanoparticles was found to be accompanied by lattice contraction and L10 chemical ordering. The mass transport involved in sintering is attributed to grain boundary diffusion and its corresponding activation energy is estimated from the data analysis. Nanoscale alloying and phase transformations in physical mixtures of Pd and Cu ultrafine nanoparticles were also investigated in real time with in situ synchrotron based x-ray diffraction complemented by ex situ high-resolution transmission electron microscopy. PdCu nanoparticles are interesting because they are found to be more efficient as catalysts in ethanol oxidation reaction (EOR) than monometallic Pd catalysts. The combination of metal support interaction and reactive/non-reactive environment was found to determine the thermal evolution and ultimate structure of this binary system. The composition of the as prepared Pd:Cu mixture in this study was 34% Pd and 66% Cu. At 300°C, the nanoparticles supported on silica and carbon black intermix to form a chemically ordered CsCl-type (B2) alloy phase. The B2 phase transforms into a disordered fcc alloy at higher temperature (>450°C). The alloy nanoparticles supported on silica and carbon black are homogeneous in volume, but evidence was found of Pd surface enrichment. In sharp contrast, when supported on alumina, the two metals

  19. Comprehension and retention: The effect of concrete details and causal structure in scientific narrative

    NASA Astrophysics Data System (ADS)

    Wilcken, Wendi M.

    The purpose of this study was to examine two of the salient elements of instructional narratives as a guide to instructional practice. The literature summarized in this report discusses the theoretical basis for narrative impact on comprehension and retention, enumerates and defines possible salient narrative elements from the literature, and examines the instructional impact of two of these elements: concrete details and causal structure. This is intended to help provide guidance to instructional designers and teachers who desire to use narrative in science instruction. Participants included 94 high school physics students. An experimental research design of 2 (Gender) x 2 (Concreteness) x 2 (Causal Structure) x 2 (Comprehension as within-subjects) ANCOVA was used to analyze the effects of the narrative elements. It was found that concrete details improved comprehension and retention but that causal structure had no statistically significant impact on comprehension or retention. There were no significant gender differences in comprehension or retention though there were two- and three-way interactions between the independent variables.

  20. Mineralogy of the SAFOD Main Hole: Detailed characterization of fault and country rocks

    NASA Astrophysics Data System (ADS)

    Solum, J. G.; Hickman, S. H.; Lockner, D. A.; Moore, D. E.

    2005-12-01

    Cuttings and core collected from across the San Andreas Fault Zone in the SAFOD Main Hole provide a unique opportunity to characterize the composition and structure of a major plate-boundary fault system. X-ray diffraction techniques provide a means to determine fault rock mineral assemblages, as well as help to identify the sedimentary packages that were encountered during drilling. These analyses indicate that there are multiple types of mineral assemblages in the fault rocks encountered by the SAFOD hole. Two zones of laumontite (zeolite) mineralization are present, one in the granodiorite encountered from ~244-1923 m (800 to 6310 ft) measured depth (MD), and one in a deeper arkose at ~2682 to 3158 m (~8800 to 10,360 ft) MD. Trace amounts of laumontite are associated with a possible shear zone at ~3338 m (10,950 ft) MD, but no clear relation between zeolite mineralization and other shear zones penetrated by SAFOD has been observed. The main hole entered a sequence of shale/siltstone/fine sandstones at ~3158 m (10360 ft) MD, indicating the presence of a significant fault. Below this depth the chlorite (001) XRD peak widths exhibit little variability (~0.35-0.4 compared to a broad range of ~0.15-0.6 above that depth), indicating a major change in lithology. There is also a very pronounced change in the clay mineral assemblages at ~3353 m (11000 ft) MD, below which clays (chlorite, illite, and a possible mixed-layer phase) exhibit little variation both in abundance and crystallinity, indicating the presence of a significant fault at approximately that depth. This is broadly consistent with the first appearance of serpentinite minerals at ~3322 m (10900 ft) MD, and a sudden increase in the concentration of methane dissolved in the drilling mud at 3338-3344 m (10950-10970 ft) MD. A mixed-layer illite-smectite phase is present in a major fault zone at ~2554 m (8380 ft) MD. This phase is present both in bulk cuttings as well as in plucked grains of fault rocks

  1. Detailed analysis of surface asperity deformation mechanism in diffusion bonding of steel hollow structural components

    NASA Astrophysics Data System (ADS)

    Zhang, C.; Li, H.; Li, M. Q.

    2016-05-01

    This study focused on the detailed analysis of surface asperity deformation mechanism in similar diffusion bonding as well as on the fabrication of high quality martensitic stainless steel hollow structural components. A special surface with regular patterns was processed to be joined so as to observe the extent of surface asperity deformation under different bonding pressures. Results showed that an undamaged hollow structural component has been obtained with full interfacial contact and the same shear strength to that of base material. Fracture surface characteristic combined with surface roughness profiles distinctly revealed the enhanced surface asperity deformation as the applied pressure increases. The influence of surface asperity deformation mechanism on joint formation was analyzed: (a) surface asperity deformation not only directly expanded the interfacial contact areas, but also released deformation heat and caused defects, indirectly accelerating atomic diffusion, then benefits to void shrinkage; (b) surface asperity deformation readily introduced stored energy difference between two opposite sides of interface grain boundary, resulting in strain induced interface grain boundary migration. In addition, the influence of void on interface grain boundary migration was analyzed in detail.

  2. Real-time Shape-based Particle Separation and Detailed In-situ Particle Shape Characterization

    SciTech Connect

    Beranek, Josef; Imre, D.; Zelenyuk, Alla

    2012-02-07

    Particle shape is an important attribute that is very difficult to characterize. We present a new portable system that offers, for the first time, the opportunity to separate particles with different shapes and characterize their chemical and physical properties, including their dynamic shape factors (DSFs) in the transition and free-molecular regimes, with high precision, in-situ, and in real-time. The system uses a new generation aerosol particle mass analyzer (APM) to classify particles based on their masses and transport them to a differential mobility analyzer (DMA) that is used to select particles of one charge, one mass, and one shape. These highly uniform particles are ready for use and/or characterization by any application or analytical tool. We combine APM and DMA with our single particle mass spectrometer, SPLAT II, to form the ADS, and demonstrate its utility to measure in real-time individual particle compositions and vacuum aerodynamic diameters to yield, for each selected shape, particle DSFs in two flow regimes. We apply the ADS to characterize aspherical ammonium sulfate and NaCl particles and show that both particle types have wide distribution of particle shapes with DSFs from nearly 1 to 1.5.

  3. Automated Characterization Of Vibrations Of A Structure

    NASA Technical Reports Server (NTRS)

    Bayard, David S.; Yam, Yeung; Mettler, Edward; Hadaegh, Fred Y.; Milman, Mark H.; Scheid, Robert E.

    1992-01-01

    Automated method of characterizing dynamical properties of large flexible structure yields estimates of modal parameters used by robust control system to stabilize structure and minimize undesired motions. Based on extraction of desired modal and control-design data from responses of structure to known vibrational excitations. Applicable to terrestrial structures where vibrations are important - aircraft, buildings, bridges, cranes, and drill strings.

  4. Porous electrode apparatus for electrodeposition of detailed metal structures or microelectronic interconnections

    DOEpatents

    Griffiths, Stewart K.; Nilson, Robert H.; Hruby, Jill M.

    2002-01-01

    An apparatus and procedure for performing microfabrication of detailed metal structures by electroforming metal deposits within small cavities. Two primary areas of application are: the LIGA process which manufactures complex three-dimensional metal parts and the damascene process used for electroplating line and via interconnections of microelectronic devices. A porous electrode held in contact or in close proximity with a plating substrate or mold top to ensure one-dimensional and uniform current flow into all mold cavities is used. Electrolyte is pumped over the exposed surface of the porous electrode to ensure uniform ion concentrations at this external surface. The porous electrode prevents electrolyte circulation within individual mold cavities, avoiding preferential enhancement of ion transport in cavities having favorable geometries. Both current flow and ion transport are one-dimensional and identical in all mold cavities, so all metal deposits grow at the same rate eliminating nonuniformities of the prior art.

  5. Elucidating secondary organic aerosol from diesel and gasoline vehicles through detailed characterization of organic carbon emissions

    PubMed Central

    Gentner, Drew R.; Isaacman, Gabriel; Worton, David R.; Chan, Arthur W. H.; Dallmann, Timothy R.; Davis, Laura; Liu, Shang; Day, Douglas A.; Russell, Lynn M.; Wilson, Kevin R.; Weber, Robin; Guha, Abhinav; Harley, Robert A.; Goldstein, Allen H.

    2012-01-01

    Emissions from gasoline and diesel vehicles are predominant anthropogenic sources of reactive gas-phase organic carbon and key precursors to secondary organic aerosol (SOA) in urban areas. Their relative importance for aerosol formation is a controversial issue with implications for air quality control policy and public health. We characterize the chemical composition, mass distribution, and organic aerosol formation potential of emissions from gasoline and diesel vehicles, and find diesel exhaust is seven times more efficient at forming aerosol than gasoline exhaust. However, both sources are important for air quality; depending on a region’s fuel use, diesel is responsible for 65% to 90% of vehicular-derived SOA, with substantial contributions from aromatic and aliphatic hydrocarbons. Including these insights on source characterization and SOA formation will improve regional pollution control policies, fuel regulations, and methodologies for future measurement, laboratory, and modeling studies. PMID:23091031

  6. Digital ultrasonic signal processing: Primary ultrasonics task and transducer characterization use and detailed description

    NASA Technical Reports Server (NTRS)

    Hammond, P. L.

    1979-01-01

    This manual describes the use of the primary ultrasonics task (PUT) and the transducer characterization system (XC) for the collection, processing, and recording of data received from a pulse-echo ultrasonic system. Both PUT and XC include five primary functions common to many real-time data acquisition systems. Some of these functions are implemented using the same code in both systems. The solicitation and acceptance of operator control input is emphasized. Those operations not under user control are explained.

  7. Detailed structure and stratigraphy of the eastern Marble Mountain terrane, Klamath Mountains, CA

    SciTech Connect

    Miller, D.E.; Hacker, B.R. . Dept. of Geology)

    1993-04-01

    Amphibolite-grade rocks in the eastern Marble Mountains (MM), N. California, consist of several fault-bounded, SSE-dipping lithotectonic units. Each unit is ca. 2 km thick and is characterized by differences in rock type, metamorphism, and structural style. The lowermost unit composed of well-foliated and lineated epidote amphibolite grading upward into clinopyroxene-bearing amphibolite with a consistent NE-SW lineation. Structurally overlying these rocks are andalusite- and staurolite-bearing, epidote-amphibolite facies rocks (Wright Lake assemblage (WLa)) that have variable foliation and lineation orientations. The WLa consists of meta-supracrustal rocks with well-preserved relict textures, and massive, meta-ultramafic rock. Supracrustal rocks include polymict conglomerate and breccia, fine- to medium-grained clastic rocks, alkalic pillow basalt, chert, and carbonate. Conglomerate clasts include partially recrystallized granitoids and quartzite. Previous studies have interpreted the WLa to represent a fragment of oceanic crust, but coeval coarse-grained sedimentation and alkalic volcanism, small volume of mafic volcanics, conglomerate composition, and lack of oceanic plutonic and hypabyssal rocks suggest deposition in an arc-related rift or transtensional basin. Previous studies have also described the terrane as melange, but recognition of local pseudostratigraphy allows mapping of multiply folded, isoclinal, nappe-like structures. Small-scale nappes are generally 100+ m thick and are imbricated with massive meta-ultramafic rocks along gently to steeply east-dipping shear zones. Shear zones are characterized by metamorphosed ultramafic fault rocks that suggest a range of brittle to ductile behavior. Regionally distributed, Ar/Ar hornblende ages of 149.9[+-]0.4, 150.3[+-]0.6, 152.1[+-]4.7, 152.5[+-]2.5 Ma and Ar/Ar biotite ages of 148.8[+-]2.6 and 149.9[+-]0.4 Ma indicate the MM terrane cooled rapidly through ca. 500--300 C in the Late Jurassic.

  8. Detailed structural and assembly model of the type II secretion pilus from sparse data.

    PubMed

    Campos, Manuel; Nilges, Michaël; Cisneros, David A; Francetic, Olivera

    2010-07-20

    Many gram-negative bacteria secrete specific proteins via the type II secretion systems (T2SS). These complex machineries share with the related archaeal flagella and type IV pilus (T4P) biogenesis systems the ability to assemble thin, flexible filaments composed of small, initially inner membrane-localized proteins called "pilins." In the T2SS from Klebsiella oxytoca, periplasmic pseudopili that are essential for pullulanase (PulA) secretion extend beyond the bacterial surface and form pili when the major pilin PulG is overproduced. Here, we describe the detailed, experimentally validated structure of the PulG pilus generated from crystallographic and electron microscopy data by a molecular modeling approach. Two intermolecular salt bridges crucial for function were demonstrated using single and complementary charge inversions. Double-cysteine substitutions in the transmembrane segment of PulG led to position-specific cross-linking of protomers in assembled pili. These biochemical data provided information on residue distances in the filament that were used to derive a refined model of the T2SS pilus at pseudoatomic resolution. PulG is organized as a right-handed helix of subunits, consistent with protomer organization in gonococcal T4P. The conserved character of residues involved in key hydrophobic and electrostatic interactions within the major pseudopilin family supports the general relevance of this model for T2SS pseudopilus structure. PMID:20616068

  9. Coupling gas chromatography and electronic nose detection for detailed cigarette smoke aroma characterization.

    PubMed

    Rambla-Alegre, Maria; Tienpont, Bart; Mitsui, Kazuhisa; Masugi, Eri; Yoshimura, Yuta; Nagata, Hisanori; David, Frank; Sandra, Pat

    2014-10-24

    Aroma characterization of whole cigarette smoke samples using sensory panels or electronic nose (E-nose) devices is difficult due to the masking effect of major constituents and solvent used for the extraction step. On the other hand, GC in combination with olfactometry detection does not allow to study the delicate balance and synergetic effect of aroma solutes. To overcome these limitations a new instrumental set-up consisting of heart-cutting gas chromatography using a capillary flow technology based Deans switch and low thermal mass GC in combination with an electronic nose device is presented as an alternative to GC-olfactometry. This new hyphenated GC-E-nose configuration is used for the characterization of cigarette smoke aroma. The system allows the transfer, combination or omission of selected GC fractions before injection in the E-nose. Principal component analysis (PCA) and discriminant factor analysis (DFA) allowed clear visualizing of the differences among cigarette brands and classifying them independently of their nicotine content. Omission and perceptual interaction tests could also be carried out using this configuration. The results are promising and suggest that the GC-E-nose hyphenation is a good approach to measure the contribution level of individual compounds to the whole cigarette smoke. PMID:25260341

  10. Possibility of supervision over detailed structure of ocean currents by MODIS

    NASA Astrophysics Data System (ADS)

    Sklyarov, V. E.

    2008-02-01

    The report focuses on the analysis of the detail structure of ocean currents in areas of dust storms distribution or intensive phytoplankton's development. Dust storms represent the global phenomenon occurring regularly and, thus, atmospheric streams transfer a significant amount of the sand and dust (more than 2000 million tons) from deserts of Gobi, Sahara, Namibia, and Arabian Peninsula etc. The dust from Sahara achieves Caribbean Sea and southeast areas of USA for 5-7 days, and traces of the Asian dust storm, which have crossed Pacific Ocean, were found out in Great Lakes. For the purposes of our research the influence of sand and a dust dropping out from atmosphere on optical properties of the top layer of the ocean is represented especially significant. We shall note, that this question is poorly covered in the scientific literature. On our data, there are only separate certificates that return dispersion in green area of a spectrum for the top layer of the ocean is considerably increased after passage of a dust storm. It occurs due to saturation of the ocean top layer sand particles were sunlight diffusion is good. On the other hand, these particles, being a passive tracer, are easily involved by separate jets of currents in local circulation. These factors create a real basis for space observations on details mesoscale ocean circulation. As a trial experiment, author of the report have leaded the multispectral analysis data from MODIS (satellite AQUA), received on a northwest part Indian Ocean and Gulf of Aden. Results of the analysis confirm the made hypothesis.

  11. Simulating photon scattering effects in structurally detailed ventricular models using a Monte Carlo approach

    PubMed Central

    Bishop, Martin J.; Plank, Gernot

    2014-01-01

    Light scattering during optical imaging of electrical activation within the heart is known to significantly distort the optically-recorded action potential (AP) upstroke, as well as affecting the magnitude of the measured response of ventricular tissue to strong electric shocks. Modeling approaches based on the photon diffusion equation have recently been instrumental in quantifying and helping to understand the origin of the resulting distortion. However, they are unable to faithfully represent regions of non-scattering media, such as small cavities within the myocardium which are filled with perfusate during experiments. Stochastic Monte Carlo (MC) approaches allow simulation and tracking of individual photon “packets” as they propagate through tissue with differing scattering properties. Here, we present a novel application of the MC method of photon scattering simulation, applied for the first time to the simulation of cardiac optical mapping signals within unstructured, tetrahedral, finite element computational ventricular models. The method faithfully allows simulation of optical signals over highly-detailed, anatomically-complex MR-based models, including representations of fine-scale anatomy and intramural cavities. We show that optical action potential upstroke is prolonged close to large subepicardial vessels than further away from vessels, at times having a distinct “humped” morphology. Furthermore, we uncover a novel mechanism by which photon scattering effects around vessels cavities interact with “virtual-electrode” regions of strong de-/hyper-polarized tissue surrounding cavities during shocks, significantly reducing the apparent optically-measured epicardial polarization. We therefore demonstrate the importance of this novel optical mapping simulation approach along with highly anatomically-detailed models to fully investigate electrophysiological phenomena driven by fine-scale structural heterogeneity. PMID:25309442

  12. Detailed optical characterization of a near diffraction limited xenon fluoride laser

    SciTech Connect

    Londono, C. ); Smith, M.J.; Trainor, D.W.; Itzkan, I. ); Berggren, R. ); Fulghum, S.F. )

    1988-12-01

    A 1 m gain length, electron beam pumped xenon fluoride laser (lambda = 353, 351 nm) utilizing two laser mixtures of lean and rich NF/sub 3/, with Xe and balance Ne, was operated with a confocal unstable resonator with magnification of 2.24. The resultant beam quality was diagnosed with both shearing interferometry to measure near-field phase and far-field focal spot evaluation techniques. These measurements resulted in a beam quality of <1.15 times the diffraction limit with no evidence of the wide angle energy loss. This laser device was fully characterized with regard to electron beam deposition uniformity, transient refractive index effects, and optical quality of the resonator and diagnostic components.

  13. Incorporating Detailed Chemical Characterization of Biomass Burning Emissions into Air Quality Models

    NASA Astrophysics Data System (ADS)

    Barsanti, K.; Hatch, L. E.; Yokelson, R. J.; Stockwell, C.; Orlando, J. J.; Emmons, L. K.; Knote, C. J.; Wiedinmyer, C.

    2015-12-01

    Approximately 500 Tg/yr of non-methane organic compounds (NMOCs) are emitted by biomass burning (BB) to the global atmosphere, leading to the photochemical production of ozone (O3) and secondary particulate matter (PM). Until recently, in studies of BB emissions, a significant mass fraction of NMOCs (up to 80%) remained uncharacterized or unidentified. Models used to simulate the air quality impacts of BB thus have relied on very limited chemical characterization of the emitted compounds. During the Fourth Fire Lab at Missoula Experiment (FLAME-IV), an unprecedented fraction of emitted NMOCs were identified and quantified through the application of advanced analytical techniques. Here we use FLAME-IV data to improve BB emissions speciation profiles for individual fuel types. From box model simulations we evaluate the sensitivity of predicted precursor and pollutant concentrations (e.g., formaldehyde, acetaldehyde, and terpene oxidation products) to differences in the emission speciation profiles, for a range of ambient conditions (e.g., high vs. low NOx). Appropriate representation of emitted NMOCs in models is critical for the accurate prediction of downwind air quality. Explicit simulation of hundreds of NMOCs is not feasible; therefore we also investigate the consequences of using existing assumptions and lumping schemes to map individual NMOCs to model surrogates and we consider alternative strategies. The updated BB emissions speciation profiles lead to markedly different surrogate compound distributions than the default speciation profiles, and box model results suggest that these differences are likely to affect predictions of PM and important gas-phase species in chemical transport models. This study highlights the potential for further BB emissions characterization studies, with concerted model development efforts, to improve the accuracy of BB predictions using necessarily simplified mechanisms.

  14. Detailed characterization of a fractured limestone formation using stochastic inverse approaches

    SciTech Connect

    Gupta, A.D.; Vasco, D.W.; Long, J.C.S.

    1994-07-01

    We discuss here two inverse approaches to construction of fracture flow models and their application in characterizing a fractured limestone formation. The first approach creates ``equivalent discontinuum`` models that conceptualize the fracture system as a partially filled lattice of conductors which are locally connected or disconnected to reproduce the observed hydrologic behavior. An alternative approach viz. ``variable aperture lattice`` models represent the fracture system as a fully filled network composed of conductors of varying apertures. The fracture apertures are sampled from a specified distribution, usually log-normal consistent with field data. The spatial arrangement of apertures is altered through inverse modeling so as to fit the available hydrologic data. Unlike traditional fracture network approaches which rely on fracture geometry to reproduce flow and transport behavior, the inverse methods directly incorporate hydrologic data in deriving the fracture networks and thus naturally emphasize the underlying features that impact the fluid flow and transport. However, hydrologic models derived by inversion are non-unique in general. We have addressed such non-uniqueness by examining an ensemble of models that satisfy the observational data within acceptable limits. We then determine properties which are shared by the ensemble of models as well as their associated uncertainties to create a conceptual model of the fracture system.

  15. Processing of Uav Based Range Imaging Data to Generate Detailed Elevation Models of Complex Natural Structures

    NASA Astrophysics Data System (ADS)

    Kohoutek, T. K.; Eisenbeiss, H.

    2012-07-01

    Unmanned Aerial Vehicles (UAVs) are more and more used in civil areas like geomatics. Autonomous navigated platforms have a great flexibility in flying and manoeuvring in complex environments to collect remote sensing data. In contrast to standard technologies such as aerial manned platforms (airplanes and helicopters) UAVs are able to fly closer to the object and in small-scale areas of high-risk situations such as landslides, volcano and earthquake areas and floodplains. Thus, UAVs are sometimes the only practical alternative in areas where access is difficult and where no manned aircraft is available or even no flight permission is given. Furthermore, compared to terrestrial platforms, UAVs are not limited to specific view directions and could overcome occlusions from trees, houses and terrain structures. Equipped with image sensors and/or laser scanners they are able to provide elevation models, rectified images, textured 3D-models and maps. In this paper we will describe a UAV platform, which can carry a range imaging (RIM) camera including power supply and data storage for the detailed mapping and monitoring of complex structures, such as alpine riverbed areas. The UAV platform NEO from Swiss UAV was equipped with the RIM camera CamCube 2.0 by PMD Technologies GmbH to capture the surface structures. Its navigation system includes an autopilot. To validate the UAV-trajectory a 360° prism was installed and tracked by a total station. Within the paper a workflow for the processing of UAV-RIM data is proposed, which is based on the processing of differential GNSS data in combination with the acquired range images. Subsequently, the obtained results for the trajectory are compared and verified with a track of a UAV (Falcon 8, Ascending Technologies) carried out with a total station simultaneously to the GNSS data acquisition. The results showed that the UAV's position using differential GNSS could be determined in the centimetre to the decimetre level. The RIM

  16. Detailed characterizations of the new Mines Douai comparative reactivity method instrument via laboratory experiments and modeling

    NASA Astrophysics Data System (ADS)

    Michoud, V.; Hansen, R. F.; Locoge, N.; Stevens, P. S.; Dusanter, S.

    2015-08-01

    The hydroxyl (OH) radical is an important oxidant in the troposphere, which controls the lifetime of most air quality- and climate-related trace gases. However, there are still uncertainties concerning its atmospheric budget, and integrated measurements of OH sinks have been valuable to improve this aspect. Among the analytical tools used for measuring total OH reactivity in ambient air, the comparative reactivity method (CRM) is spreading rapidly in the atmospheric community. However, measurement artifacts have been highlighted for this technique, and additional work is needed to fully characterize them. In this study, we present the new Mines Douai CRM instrument, with an emphasis on the corrections that need to be applied to ambient measurements of total OH reactivity. Measurement artifacts identified in the literature have been investigated, including (1) a correction for a change in relative humidity between the measurement steps leading to different OH levels, (2) the formation of spurious OH in the sampling reactor when hydroperoxy radicals (HO2) react with nitrogen monoxide (NO), (3) not operating the CRM under pseudo-first-order kinetics, and (4) the dilution of ambient air inside the reactor. The dependences of these artifacts on various measurable parameters, such as the pyrrole-to-OH ratio and the bimolecular reaction rate constants of ambient trace gases with OH, have also been studied. Based on these observations, parameterizations are proposed to correct ambient OH reactivity measurements. On average, corrections of 5.2 ± 3.2, 9.2 ± 15.7, and 8.5 ± 5.8 s-1 were respectively observed for (1), (2) and (3) during a field campaign performed in Dunkirk, France (summer 2014). Numerical simulations have been performed using a box model to check whether experimental observations mentioned above are consistent with our understanding of the chemistry occurring in the CRM reactor. Two different chemical mechanisms have been shown to reproduce the magnitude

  17. Unveiling the Detailed Density and Velocity Structures of the Protostellar Core B335

    NASA Astrophysics Data System (ADS)

    Kurono, Yasutaka; Saito, Masao; Kamazaki, Takeshi; Morita, Koh-Ichiro; Kawabe, Ryohei

    2013-03-01

    We present an observational study of the protostellar core B335 harboring a low-mass Class 0 source. The observations of the H13CO+(J = 1-0) line emission were carried out using the Nobeyama 45 m telescope and Nobeyama Millimeter Array. Our combined image of the interferometer and single-dish data depicts detailed structures of the dense envelope within the core. We found that the core has a radial density profile of n(r)vpropr -p and a reliable difference in the power-law indices between the outer and inner regions of the core: p ≈ 2 for r >~ 4000 AU and p ≈ 1.5 for r <~ 4000 AU. The dense core shows a slight overall velocity gradient of ~1.0 km s-1 over the scale of 20, 000 AU across the outflow axis. We believe that this velocity gradient represents a solid-body-like rotation of the core. The dense envelope has a quite symmetrical velocity structure with a remarkable line broadening toward the core center, which is especially prominent in the position-velocity diagram across the outflow axis. The model calculations of position-velocity diagrams do a good job of reproducing observational results using the collapse model of an isothermal sphere in which the core has an inner free-fall region and an outer region conserving the conditions at the formation stage of a central stellar object. We derived a central stellar mass of ~0.1 M ⊙, and suggest a small inward velocity, v_{r ≥ r_inf}˜ 0 km s^{-1} in the outer core at >~ 4000 AU. We concluded that our data can be well explained by gravitational collapse with a quasi-static initial condition, such as Shu's model, or by the isothermal collapse of a marginally critical Bonnor-Ebert sphere.

  18. A Detailed Study of the Structure of the Nested Planetary Nebula, Hb 12, the Matryoshka Nebula

    NASA Astrophysics Data System (ADS)

    Clark, D. M.; López, J. A.; Edwards, M. L.; Winge, C.

    2014-11-01

    We present near-IR, integral field spectroscopic observations of the planetary nebula (PN) Hb 12 using Near-infrared Integral Field Spectrograph (NIFS) on Gemini-North. Combining NIFS with the adaptive optics system Altair, we provide a detailed study of the core and inner structure of this PN. We focus the analysis in the prominent emission lines [Fe II] (1.6436 μm), He I (2.0585 μm), H2 (2.1214 μm), and Brγ (2.16553 μm). We find that the [Fe II] emission traces a tilted system of bipolar lobes, with the northern lobe being redshifted and the southern lobe blueshifted. The [Fe II] emission is very faint at the core and only present close to the systemic velocity. There is no H2 emission in the core, whereas the core is prominent in the He I and Brγ recombination lines. The H2 emission is concentrated in equatorial arcs of emission surrounding the core and expanding at ~30 km s-1. These arcs are compared with Hubble Space Telescope images and shown to represent nested loops belonging to the inner sections of a much larger bipolar structure that replicates the inner one. The He I and Brγ emission from the core clearly show a cylindrical central cavity that seems to represent the inner walls of an equatorial density enhancement or torus. The torus is 0.''2 wide (≡200 AU radius at a distance of 2000 pc) and expanding at <=30 km s-1. The eastern wall of the inner torus is consistently more intense than the western wall, which could indicate the presence of an off-center star, such as is observed in the similar hourglass PN, MyCn 18. A bipolar outflow is also detected in Brγ emerging within 0.''1 from the core at ~ ± 40 km s-1.

  19. The detailed crystal and electronic structures of the cotunnite-type ZrO2

    NASA Astrophysics Data System (ADS)

    Zhang, Yan; Duan, Li; Ji, Vincent

    2016-07-01

    The detailed crystal and orbital-decomposed electronic structures of cotunnite-type ZrO2 have been investigated by using the first-principles projector augmented wave (PAW) potential within the generalized gradient approximation as well as taking into account on-site Coulomb repulsive interaction (GGA+U). The optimized structure shows that the OI and OII anions are surrounded by an arbitrary tetrahedron of four Zr cations and an arbitrary pentahedron of five Zr cations, respectively, in turn, the Zr cation is surrounded by an arbitrary tetrakaidecahedron formed by nine oxygen ligands. Although one more Zr cation is coordinated to OII, the larger bond lengths between OII and its adjacent five Zr cations (dOII-Zr) than those between OI and its adjacent four Zr cations (dOI-Zr) makes density of states (DOS) of s and three p (px , py and pz) states of the OII anion driving down in lower energy region and driving up in higher energy region. No crystal-field splitting is observed between three p (px , py and pz) states of anions OI and OII (between three p (px , py and pz) states and five d (dxy , dyz , dxz , dz2 and dx2-y2) states of cation Zr) is resulted from the arrangements of the surrounding cations (anions) do not have any symmetry. The additional covalent character upon Zr-O ionic bonds is attributed to the hybridization of itinerant Zr(5s) and less filled Zr(4d) states to the separated O(2s) and O(2p) states.

  20. Detailed characterization of a high-molecular-weight glycoprotein secreted by lung cancer cells.

    PubMed

    Nonaka, N; Manaka, K; Kobayashi, K; Hirai, H

    1993-09-01

    A cancer-associated, high-molecular-weight glycoprotein antigen (6B3.Ag) recognized by monoclonal antibody 6B3 was purified from culture medium of human large cell lung carcinoma cell line (HLC-2) and characterized biochemically and immunochemically. The 6B3.Ag was purified more than 1,200-fold with a yield of 30% by salting out, precipitation by acidification at pH 4.5, and chromatographies on Sepharose 4B and concanavalin A-Sepharose. The molecular weight of 6B3.Ag is approximately 1,000,000 and the molecule is a homodecamer of 94,000 subunits. The 6B3.Ag is a glycoprotein containing 22.9% sugars, consisting of both N- and O-glycoside chains. The N-terminal 19 amino acids were determined and only 4 out of 19 amino acid residues were different from those of an antigen, L3, secreted by lung carcinoma cell line Calu-1. The serum level of 6B3.Ag was determined in normal adults as well as patients with various diseases by enzyme-linked immunosorbent assay. The mean serum level of 6B3.Ag was 3.1 micrograms/ml, ranging from 1.6 to 6.2 micrograms/ml in 131 healthy adults. When the cut-off value was set at 6.2 micrograms/ml, the incidence of positive values in the sera was elevated not only in malignant diseases such as hepatoma (73%) and leukemia (62%), but also in benign diseases such as chronic hepatitis (42%) and liver cirrhosis (63%). While the incidence of positive values was elevated in advanced liver diseases, namely, chronic hepatitis, liver cirrhosis and hepatoma, the cancer specificity of 6B3.Ag did not appear to be high. PMID:8407567

  1. Detailed PCB congener characterization of influent and effluent at New York and New Jersey WPCPs

    SciTech Connect

    Durell, G.S.; Lizotte, R.D. Jr.; Solomon, M.H.; Green, J.W.; Spadone, J.; Pires, L.

    1995-12-31

    The waste streams at 26 New York City and New Jersey water pollution control plants (WPCP) were characterized for PCB. Time-integrated influent and effluent samples were collected during normal and high (storm) flow conditions; high flow influent simulated what may by-pass the plant and be discharged through combined sewer overflows. State-of-the-art congener-specific analytical methods were used to achieve detection limits from 0.05 to 0.3 ng/L. Concentrations of 71 individual PCB congeners that constitute approximately 95% of the total PCB in Aroclors and environmental samples were determined. The PCB concentrations and congener distributions varied notably among plants. Individual congener concentrations were typically well below 1 ng/L in the effluent, with a few congeners being detected at 5 to 10 ng/L levels in some samples. The concentrations were under 1 ng/L in most influent samples, with occasional determinations above 10 ng/L. The average total PCB concentration, defined as the sum of the 71 individual congener concentrations, at the 26 WPCPs were 27, 110, and 160 ng/L for normal flow effluent, normal flow influent, and high flow influent, respectively. The results indicate that PCB levels in New York City and New Jersey WPCP discharges are generally low, with most effluent having total PCB concentrations below 0.05 {micro}g/L. The PCB levels in the influent were commonly under 0.1 {micro}g/L and became slightly elevated at most plants during storms while at some plants the increase in flow appeared to dilute the PCB in the influent. The WPCPs remove, on average, approximately 75% of the PCB received in the influent.

  2. Detailed Characterization of aerosol properties from satellite Observations using GRASP algorithm

    NASA Astrophysics Data System (ADS)

    Dubovik, O.; Litvinov, P.; Lapyonok, T.; Ducos, F.; Huang, X.; Lopatin, A.; Fuertes, D.; Torres, B.

    2015-12-01

    GRASP (Generalized Retrieval of Aerosol and Surface Properties) is rather sophisticated algorithm was developed recently by Dubovik et al. (2011, 2014) with objective of achieving more complete and accurate aerosols and surface retrieval. Specifically, GPASP searches in continuous space of solutions and doesn't utilize look-up-tables. It based on highly elaborated statistically optimized fitting. For example, it uses multi-pixel retrieval when statistically optimized inversion is implemented simultaneously for a group of satellite pixels. This allows using additional a priori information about limited variability of aerosol of surface properties in time and/or space. As a result, GRASP doesn't use any specific information about aerosol or surface type in the each observed pixel, and the results are essentially driven by observations. However GRASP retrieval takes longer computational time compare to most conventional algorithms that is the main practical challenge of employing GRASP for massive data processing. Nonetheless, in last two years, GRASP has been significantly optimized and adapted to operational needs. As a result of this optimization, GRASP has been accelerated to the level acceptable for processing large volumes of satellite observations. Recently GRASP has been applied to multi-years archives of PARASO/POLDER and ENVISAT/MERIS. Based, on the preliminary analysis GRASP results are very promising for comprehensive characterization of aerosol even for observations over bright surfaces and for monitoring very high aerosol loading events (with AOD 2 or 3). In addition, it was made the attempts to estimate such aerosol characteristics as aerosol height, air mass, radiative forcing, aerosol type, etc. The results and illustrations will be presented.

  3. Detailed fault structure of the 2000 Western Tottori, Japan, earthquake sequence

    USGS Publications Warehouse

    Fukuyama, E.; Ellsworth, W.L.; Waldhauser, F.; Kubo, A.

    2003-01-01

    We investigate the faulting process of the aftershock region of the 2000 western Tottori earthquake (Mw 6.6) by combining aftershock hypocenters and moment tensor solutions. Aftershock locations were precisely determined by the double difference method using P- and S-phase arrival data of the Japan Meteorological Agency unified catalog. By combining the relocated hypocenters and moment tensor solutions of aftershocks by broadband waveform inversion of FREESIA (F-net), we successfully resolved very detailed fault structures activated by the mainshock. The estimated fault model resolves 15 individual fault segments that are consistent with both aftershock distribution and focal mechanism solutions. Rupture in the mainshock was principally confined to the three fault elements in the southern half of the zone, which is also where the earliest aftershocks concentrate. With time, the northern part of the zone becomes activated, which is also reflected in the postseismic deformation field. From the stress tensor analysis of aftershock focal mechanisms, we found a rather uniform stress field in the aftershock region, although fault strikes were scattered. The maximum stress direction is N107??E, which is consistent with the tectonic stress field in this region. In the northern part of the fault, where no slip occurred during the mainshock but postseismic slip was observed, the maximum stress direction of N130??E was possible as an alternative solution of stress tensor inversion.

  4. A global/local analysis method for treating details in structural design

    NASA Technical Reports Server (NTRS)

    Aminpour, Mohammad A.; Mccleary, Susan L.; Ransom, Jonathan B.

    1993-01-01

    A method for analyzing global/local behavior of plate and shell structures is described. In this approach, a detailed finite element model of the local region is incorporated within a coarser global finite element model. The local model need not be nodally compatible (i.e., need not have a one-to-one nodal correspondence) with the global model at their common boundary; therefore, the two models may be constructed independently. The nodal incompatibility of the models is accounted for by introducing appropriate constraint conditions into the potential energy in a hybrid variational formulation. The primary advantage of this method is that the need for transition modeling between global and local models is eliminated. Eliminating transition modeling has two benefits. First, modeling efforts are reduced since tedious and complex transitioning need not be performed. Second, errors due to the mesh distortion, often unavoidable in mesh transitioning, are minimized by avoiding distorted elements beyond what is needed to represent the geometry of the component. The method is applied reduced to a plate loaded in tension and transverse bending. The plate has a central hole, and various hole sixes and shapes are studied. The method is also applied to a composite laminated fuselage panel with a crack emanating from a window in the panel. While this method is applied herein to global/local problems, it is also applicable to the coupled analysis of independently modeled components as well as adaptive refinement.

  5. Detailed Carbon Isotopic Characterization of Aerosol-Derived Organic Carbon Deposited to two Temperate Watersheds

    NASA Astrophysics Data System (ADS)

    Wozniak, A. S.; Bauer, J. E.; Keesee, E. E.; McNichol, A. P.; Xu, L.; Dickhut, R. M.

    2008-12-01

    Atmospheric deposition of carbonaceous aerosols can be a quantitatively significant flux in the carbon budgets of temperate watersheds. Characterizing the sources and fates of this material is therefore critical for assessing its role in carbon and organic matter cycling in these systems. Aerosol samples were collected in the Hudson and York River watersheds throughout 2006-2007 and analyzed for quantities and isotopic signatures (δ13C, Δ14C) of total and water-soluble organic carbon (TOC, WSOC, respectively). On average ~2.4 and 2.1 mg m-2 d-1 of aerosol TOC were deposited to the Hudson and York River watersheds, respectively, and nearly half of this material was water-soluble. δ13C analyses indicated that both the TOC and the WSOC were primarily terrestrial in nature. TOC Δ14C signatures covered a broad range for both watersheds, with calculated contributions from fossil sources (e.g., anthropogenic combustion of petroleum, coal, etc.) ranging from 0% for samples collected during the summer of 2007 to approximately 50% for samples collected in the winter of 2007. Aerosol-derived WSOC Δ14C values were less variable and were nearly always enriched in 14C with respect to the corresponding TOC, indicating that contemporary aerosol material tends to partition into the aqueous phase, while fossil-derived aerosol OC is more likely to remain insoluble. However, WSOC still often showed considerable contributions from fossil OC (up to 20%). Thus, some portion of the anthropogenic fossil-derived aerosol OC is relatively soluble and may be transported hydrologically through watersheds and aquatic systems. A subset of aerosol samples from each watershed was selected for more thorough isotopic analysis of operationally-defined components of the carbonaceous material. Isotopic signatures were obtained for TOC, WSOC, total solvent-extract, and the aliphatic, aromatic, and polar components. Isotopic information on these fractions allows us to determine which components

  6. Thermodynamics and kinetics of amphotericin B self-association in aqueous solution characterized in molecular detail

    PubMed Central

    Zielińska, Joanna; Wieczór, Miłosz; Bączek, Tomasz; Gruszecki, Marcin; Czub, Jacek

    2016-01-01

    Amphotericin B (AmB) is a potent but toxic drug commonly used to treat systemic mycoses. Its efficiency as a therapeutic agent depends on its ability to discriminate between mammalian and fungal cell membranes. The association of AmB monomers in an aqueous environment plays an important role in drug selectivity, as oligomers formed prior to membrane insertion – presumably dimers – are believed to act differently on fungal (ergosterol-rich) and mammalian (cholesterol-rich) membranes. In this work, we investigate the initial steps of AmB self-association by studying the structural, thermodynamic and spectral properties of AmB dimers in aqueous medium using molecular dynamics simulations. Our results show that in water, the hydrophobic aggregation of AmB monomers yields almost equiprobable populations of parallel and antiparallel dimers that rapidly interconvert into each other, and the dipole-dipole interaction between zwitterionic head groups plays a minor role in determining the drug’s tendency for self-aggregation. A simulation of circular dichroism (CD) spectra indicates that in experimental measurements, the signature CD spectrum of AmB aggregates should be attributed to higher-order oligomers rather than dimers. Finally, we suggest that oligomerization can impair the selectivity of AmB molecules for fungal membranes by increasing their hydrophobic drive for non-specific membrane insertion. PMID:26742886

  7. Tectonic evolution of the eastern margin of the Thaumasia Plateau (Mars) as inferred from detailed structural mapping and analysis

    NASA Astrophysics Data System (ADS)

    Borraccini, F.; Di Achille, G.; Ori, G. G.; Wezel, F. C.

    2007-05-01

    The eastern margin of the Thaumasia Plateau (EMTP) is characterized by a diversity of tectonic features, which recorded its complex, and still controversial, tectonic history. A detailed structural survey and analyses have been carried out in order to assess the kinematics and relative age of the main deformational events. Combining results from statistics of lineament orientations and density of fault length for each geologic unit and taking into account crosscutting relationships among tectonic structures, three main deformational events have been recognized. The early stage of the tectonic evolution of EMTP is recorded by Noachian units at the southern edge of Melas Dorsa and is represented by N-S oriented grabens sutured by Early Hesperian formations. Starting from Late Noachian, the extensional stress field became NE-SW oriented and resulted in the formation of NW-SE striking sets of grabens. At the boundary between Noachian and Hesperian, the most important change in tectonic regime occurred. The Hesperian tectonics are characterized by an E-W shortening possibly related to an eastward motion of the Thaumasia Plateau. This tectonic phase likely produced a N-S-oriented wrinkle ridges as well as regional folds and thrust faults. E-W-oriented preexisting tectonic lineaments could have been reactivated forming regional transfer zones. In this scenario, Coprates Rise, Melas Dorsa, and Thaumasia Ridge could be interpreted as mountain belts resulting from buckling and thrust faulting of the eastern and southern margins of the Thaumasia plateau. The proto-Valles Marineris could have experienced a left-lateral component of displacement and played a role of a transfer shear zone.

  8. Analysis of Gravity and Topographic/Bathymetric Data Over the Chicxulub Impact Structure: A Look at Details

    NASA Astrophysics Data System (ADS)

    Kinsland, G. L.; Hurtado, M.; Ceron, A.; Pope, K.; Ocampo, A.; Smythe, W.; Bedard, P.

    1996-03-01

    The Chicxulub impact feature, has been characterized as being relatively circular with a diameter of 180 Km, 240 Km, or 300 Km. To arrive at these characterizations the authors have relied for the most part upon gravity data, sparse well control, a few seismic lines and a ring of cenotes (sinkholes). We are better defining the feature by analysis of the details of the gravity and topographic/bathymetric data.

  9. Insight into cyanobacterial circadian timing from structural details of the KaiB–KaiC interaction

    PubMed Central

    Snijder, Joost; Burnley, Rebecca J.; Wiegard, Anika; Melquiond, Adrien S. J.; Bonvin, Alexandre M. J. J.; Axmann, Ilka M.; Heck, Albert J. R.

    2014-01-01

    Circadian timing in cyanobacteria is determined by the Kai system consisting of KaiA, KaiB, and KaiC. Interactions between Kai proteins change the phosphorylation status of KaiC, defining the phase of circadian timing. The KaiC–KaiB interaction is crucial for the circadian rhythm to enter the dephosphorylation phase but it is not well understood. Using mass spectrometry to characterize Kai complexes, we found that KaiB forms monomers, dimers, and tetramers. The monomer is the unit that interacts with KaiC, with six KaiB monomers binding to one KaiC hexamer. Hydrogen–deuterium exchange MS reveals structural changes in KaiC upon binding of KaiB in both the CI and CII domains, showing allosteric coupling upon KaiB binding. Based on this information we propose a model of the KaiB–KaiC complex and hypothesize that the allosteric changes observed upon complex formation relate to coupling KaiC ATPase activity with KaiB binding and to sequestration of KaiA dimers into KaiCBA complexes. PMID:24474762

  10. Insight into cyanobacterial circadian timing from structural details of the KaiB-KaiC interaction.

    PubMed

    Snijder, Joost; Burnley, Rebecca J; Wiegard, Anika; Melquiond, Adrien S J; Bonvin, Alexandre M J J; Axmann, Ilka M; Heck, Albert J R

    2014-01-28

    Circadian timing in cyanobacteria is determined by the Kai system consisting of KaiA, KaiB, and KaiC. Interactions between Kai proteins change the phosphorylation status of KaiC, defining the phase of circadian timing. The KaiC-KaiB interaction is crucial for the circadian rhythm to enter the dephosphorylation phase but it is not well understood. Using mass spectrometry to characterize Kai complexes, we found that KaiB forms monomers, dimers, and tetramers. The monomer is the unit that interacts with KaiC, with six KaiB monomers binding to one KaiC hexamer. Hydrogen-deuterium exchange MS reveals structural changes in KaiC upon binding of KaiB in both the CI and CII domains, showing allosteric coupling upon KaiB binding. Based on this information we propose a model of the KaiB-KaiC complex and hypothesize that the allosteric changes observed upon complex formation relate to coupling KaiC ATPase activity with KaiB binding and to sequestration of KaiA dimers into KaiCBA complexes. PMID:24474762

  11. Solution Synchrotron X-ray Diffraction Reveals Structural Details of Lipid Domains in Ternary Mixtures

    SciTech Connect

    Yuan, J.; Kiss, A; Pramudya, Y; Nguyen, L; Hirst, L

    2009-01-01

    The influence of cholesterol on lipid bilayer structure is significant and the effect of cholesterol on lipid sorting and phase separation in lipid-raft-forming model membrane systems has been well investigated by microscopy methods on giant vesicles. An important consideration however is the influence of fluorescence illumination on the phase state of these lipids and this effect must be carefully minimized. In this paper, we show that synchrotron x-ray scattering on solution lipid mixtures is an effective alternative technique for the identification and characterization of the l o (liquid ordered) and l d (liquid disordered) phases. The high intensity of synchrotron x rays allows the observation of up to 5 orders of diffraction from the l o phase, whereas only two are clearly visible when the l d phase alone is present. This data can be collected in approximately 1 min/sample, allowing rapid generation of phase data. In this paper, we measure the lamellar spacing in both the liquid-ordered and liquid-disordered phases simultaneously, as a function of cholesterol concentration in two different ternary mixtures. We also observe evidence of a third gel-phaselike population at 10-12 mol % cholesterol and determine the thickness of the bilayer for this phase. Importantly we are able to look at phase coexistence in the membrane independent of photoeffects.

  12. Performance evaluation of a direct computed radiography system by means of physical characterization and contrast detail analysis

    NASA Astrophysics Data System (ADS)

    Rivetti, Stefano; Lanconelli, Nico; Bertolini, Marco; Borasi, Giovanni; Acchiappati, Domenico; Burani, Aldo

    2007-03-01

    The aim of this study is to determine the performance of a direct CR reader, named "FCR Velocity U Focused Phosphor (FP)". The system is based on a CsBr columnar structured crystal, and the system's read out is based on the "linescan technology" that employs a wide-view CCD. The system's physical performance was tested by means of a quantitative analysis, with calculation of the modulation transfer function (MTF), noise power spectrum (NPS) and detective quantum efficiency (DQE). Image quality was assessed by performing a contrast-detail analysis. The results are compared with those obtained with the well known CR system Fuji FCR XG5000, and the new one Kodak DirectView CR 975. For all the measurements the standard radiation quality RQA-5 was used. The relationship between signal amplitude and entrance air kerma is logarithmic for all the systems and the response functions were used to linearize the images before the MTF (edge method) and NPS calculations. The contrast detail analysis has been achieved by using the well known CDRAD phantom and a customized software designed for automatic computation of the contrast-detail curves. The three systems present similar MTFs, whereas the Fuji Velocity U FP system, thanks to its greater efficiency, has a better behavior in terms of NNPS, especially at low frequencies. That allows the system based on columnar phosphor to provide a better DQE. CDRAD analysis basically confirms that the structured phosphor used in the Velocity system improves the visibility of some details. This is especially true for medium and large details.

  13. UNVEILING THE DETAILED DENSITY AND VELOCITY STRUCTURES OF THE PROTOSTELLAR CORE B335

    SciTech Connect

    Kurono, Yasutaka; Saito, Masao; Kamazaki, Takeshi; Morita, Koh-Ichiro; Kawabe, Ryohei

    2013-03-10

    We present an observational study of the protostellar core B335 harboring a low-mass Class 0 source. The observations of the H{sup 13}CO{sup +}(J = 1-0) line emission were carried out using the Nobeyama 45 m telescope and Nobeyama Millimeter Array. Our combined image of the interferometer and single-dish data depicts detailed structures of the dense envelope within the core. We found that the core has a radial density profile of n(r){proportional_to}r {sup -p} and a reliable difference in the power-law indices between the outer and inner regions of the core: p Almost-Equal-To 2 for r {approx}> 4000 AU and p Almost-Equal-To 1.5 for r {approx}< 4000 AU. The dense core shows a slight overall velocity gradient of {approx}1.0 km s{sup -1} over the scale of 20, 000 AU across the outflow axis. We believe that this velocity gradient represents a solid-body-like rotation of the core. The dense envelope has a quite symmetrical velocity structure with a remarkable line broadening toward the core center, which is especially prominent in the position-velocity diagram across the outflow axis. The model calculations of position-velocity diagrams do a good job of reproducing observational results using the collapse model of an isothermal sphere in which the core has an inner free-fall region and an outer region conserving the conditions at the formation stage of a central stellar object. We derived a central stellar mass of {approx}0.1 M{sub Sun }, and suggest a small inward velocity, v{sub r{>=}r{sub i{sub n{sub f}}}}{approx}0 km s{sup -1} in the outer core at {approx}> 4000 AU. We concluded that our data can be well explained by gravitational collapse with a quasi-static initial condition, such as Shu's model, or by the isothermal collapse of a marginally critical Bonnor-Ebert sphere.

  14. A detailed study of the structure of the nested planetary nebula, Hb 12, the Matryoshka nebula

    SciTech Connect

    Clark, D. M.; López, J. A.; Edwards, M. L.; Winge, C. E-mail: jal@astrosen.unam.mx E-mail: cwinge@gemini.edu

    2014-11-01

    We present near-IR, integral field spectroscopic observations of the planetary nebula (PN) Hb 12 using Near-infrared Integral Field Spectrograph (NIFS) on Gemini-North. Combining NIFS with the adaptive optics system Altair, we provide a detailed study of the core and inner structure of this PN. We focus the analysis in the prominent emission lines [Fe II] (1.6436 μm), He I (2.0585 μm), H{sub 2} (2.1214 μm), and Br{sub γ} (2.16553 μm). We find that the [Fe II] emission traces a tilted system of bipolar lobes, with the northern lobe being redshifted and the southern lobe blueshifted. The [Fe II] emission is very faint at the core and only present close to the systemic velocity. There is no H{sub 2} emission in the core, whereas the core is prominent in the He I and Br{sub γ} recombination lines. The H{sub 2} emission is concentrated in equatorial arcs of emission surrounding the core and expanding at ∼30 km s{sup –1}. These arcs are compared with Hubble Space Telescope images and shown to represent nested loops belonging to the inner sections of a much larger bipolar structure that replicates the inner one. The He I and Br{sub γ} emission from the core clearly show a cylindrical central cavity that seems to represent the inner walls of an equatorial density enhancement or torus. The torus is 0.''2 wide (≡200 AU radius at a distance of 2000 pc) and expanding at ≤30 km s{sup –1}. The eastern wall of the inner torus is consistently more intense than the western wall, which could indicate the presence of an off-center star, such as is observed in the similar hourglass PN, MyCn 18. A bipolar outflow is also detected in Br{sub γ} emerging within 0.''1 from the core at ∼ ± 40 km s{sup –1}.

  15. Health Monitoring for Airframe Structural Characterization

    NASA Technical Reports Server (NTRS)

    Munns, Thomas E.; Kent, Renee M.; Bartolini, Antony; Gause, Charles B.; Borinski, Jason W.; Dietz, Jason; Elster, Jennifer L.; Boyd, Clark; Vicari, Larry; Ray, Asok; Cooper, E. G. (Technical Monitor)

    2002-01-01

    This study established requirements for structural health monitoring systems, identified and characterized a prototype structural sensor system, developed sensor interpretation algorithms, and demonstrated the sensor systems on operationally realistic test articles. Fiber-optic corrosion sensors (i.e., moisture and metal ion sensors) and low-cycle fatigue sensors (i.e., strain and acoustic emission sensors) were evaluated to validate their suitability for monitoring aging degradation; characterize the sensor performance in aircraft environments; and demonstrate placement processes and multiplexing schemes. In addition, a unique micromachined multimeasure and sensor concept was developed and demonstrated. The results show that structural degradation of aircraft materials could be effectively detected and characterized using available and emerging sensors. A key component of the structural health monitoring capability is the ability to interpret the information provided by sensor system in order to characterize the structural condition. Novel deterministic and stochastic fatigue damage development and growth models were developed for this program. These models enable real time characterization and assessment of structural fatigue damage.

  16. Toward a detailed understanding of search trajectories in fragment assembly approaches to protein structure prediction.

    PubMed

    Kandathil, Shaun M; Handl, Julia; Lovell, Simon C

    2016-04-01

    Energy functions, fragment libraries, and search methods constitute three key components of fragment-assembly methods for protein structure prediction, which are all crucial for their ability to generate high-accuracy predictions. All of these components are tightly coupled; efficient searching becomes more important as the quality of fragment libraries decreases. Given these relationships, there is currently a poor understanding of the strengths and weaknesses of the sampling approaches currently used in fragment-assembly techniques. Here, we determine how the performance of search techniques can be assessed in a meaningful manner, given the above problems. We describe a set of techniques that aim to reduce the impact of the energy function, and assess exploration in view of the search space defined by a given fragment library. We illustrate our approach using Rosetta and EdaFold, and show how certain features of these methods encourage or limit conformational exploration. We demonstrate that individual trajectories of Rosetta are susceptible to local minima in the energy landscape, and that this can be linked to non-uniform sampling across the protein chain. We show that EdaFold's novel approach can help balance broad exploration with locating good low-energy conformations. This occurs through two mechanisms which cannot be readily differentiated using standard performance measures: exclusion of false minima, followed by an increasingly focused search in low-energy regions of conformational space. Measures such as ours can be helpful in characterizing new fragment-based methods in terms of the quality of conformational exploration realized. PMID:26799916

  17. Fluorescence microscopy for the characterization of structural integrity

    NASA Technical Reports Server (NTRS)

    Street, Kenneth W.; Leonhardt, Todd A.

    1991-01-01

    The absorption characteristics of light and the optical technique of fluorescence microscopy for enhancing metallographic interpretation are presented. Characterization of thermally sprayed coatings by optical microscopy suffers because of the tendency for misidentification of the microstructure produced by metallographic preparation. Gray scale, in bright field microscopy, is frequently the only means of differentiating the actual structural details of porosity, cracking, and debonding of coatings. Fluorescence microscopy is a technique that helps to distinguish the artifacts of metallographic preparation (pullout, cracking, debonding) from the microstructure of the specimen by color contrasting structural differences. Alternative instrumentation and the use of other dye systems are also discussed. The combination of epoxy vacuum infiltration with fluorescence microscopy to verify microstructural defects is an effective means to characterize advanced materials and to assess structural integrity.

  18. A Detailed Derivation of Gaussian Orbital-Based Matrix Elements in Electron Structure Calculations

    ERIC Educational Resources Information Center

    Petersson, T.; Hellsing, B.

    2010-01-01

    A detailed derivation of analytic solutions is presented for overlap, kinetic, nuclear attraction and electron repulsion integrals involving Cartesian Gaussian-type orbitals. It is demonstrated how s-type orbitals can be used to evaluate integrals with higher angular momentum via the properties of Hermite polynomials and differentiation with…

  19. Experiments In Characterizing Vibrations Of A Structure

    NASA Technical Reports Server (NTRS)

    Yam, Yeung; Hadaegh, Fred Y.; Bayard, David S.

    1993-01-01

    Report discusses experiments conducted to test methods of identification of vibrational and coupled rotational/vibrational modes of flexible structure. Report one in series that chronicle development of integrated system of methods, sensors, actuators, analog and digital signal-processing equipment, and algorithms to suppress vibrations in large, flexible structure even when dynamics of structure partly unknown and/or changing. Two prior articles describing aspects of research, "Autonomous Frequency-Domain Indentification" (NPO-18099), and "Automated Characterization Of Vibrations Of A Structure" (NPO-18141).

  20. Detailed mineralogical characterization of the Bullfrog and Tram members USW-G1, with emphasis on clay mineralogy

    SciTech Connect

    Bish, D.L.

    1981-10-01

    The detailed mineralogy of the Bullfrog and Tram Members of the Crater Flat Tuff from drill hole USW-G1 has been examined, primarily to characterize fully the amounts and types of clay minerals in the tuffs and the possible effects clay minerals have on rock properties. Results of bulk sample x-ray diffraction analyses agree closely with previous determinations, although slightly higher clay mineral contents were found in this study. X-ray diffraction analysis of fine fractions revealed that the clay minerals in the tuffs are sodium-saturated montmorillonite-beidellites with typical layer charges and no high-charge layers. These smectites are found in virtually all samples of the Bullfrog and Tram, and there is no correlation between the amounts of smectites and the amounts of zeolite, quartz, and feldspar. Smectites are present in both welded and nonwelded horizons and are scarce in some zones with slight-to-absent welding.

  1. Structural characterization of unusually stable polycyclic ozonides

    NASA Astrophysics Data System (ADS)

    Cusati, R. C.; Pereira, U. A.; Barbosa, L. C. A.; Maltha, C. R. A.; Carneiro, José W. M.; Corrêa, R. S.; Doriguetto, A. C.

    2015-02-01

    The single crystal structure of seven tri- and tetracyclic ozonides derived from 8-oxabicycle[3.2.1]oct-6-en-3-ones have been characterized by X-ray diffraction method. Five ozonides (4, 5, 6, 7 and 8) crystallize in the monoclinic crystal system with P21/c space group. Compound 3 crystallize in the unusual centrosymmetric space group R 3 bar m, which represents ∼0.04% of the total number of structures know. The supramolecular structure of 3 forms infinite channels in a hexagram fashion, resulting in a honeycomb-like structure. Semi-empirical (PM6) and density functional theory methods (DFT) with the B3LYP functional and the 6-31G(d) basis set were used to optimize the geometries and compute structural parameters (bond lengths, angles and dihedral angles) that could be compared to the refined crystal structure. The theoretical results show good agreements with the experimental structure.

  2. Detailed Physiologic Characterization Reveals Diverse Mechanisms for Novel Genetic Loci Regulating Glucose and Insulin Metabolism in Humans

    PubMed Central

    Ingelsson, Erik; Langenberg, Claudia; Hivert, Marie-France; Prokopenko, Inga; Lyssenko, Valeriya; Dupuis, Josée; Mägi, Reedik; Sharp, Stephen; Jackson, Anne U.; Assimes, Themistocles L.; Shrader, Peter; Knowles, Joshua W.; Zethelius, Björn; Abbasi, Fahim A.; Bergman, Richard N.; Bergmann, Antje; Berne, Christian; Boehnke, Michael; Bonnycastle, Lori L.; Bornstein, Stefan R.; Buchanan, Thomas A.; Bumpstead, Suzannah J.; Böttcher, Yvonne; Chines, Peter; Collins, Francis S.; Cooper, Cyrus C.; Dennison, Elaine M.; Erdos, Michael R.; Ferrannini, Ele; Fox, Caroline S.; Graessler, Jürgen; Hao, Ke; Isomaa, Bo; Jameson, Karen A.; Kovacs, Peter; Kuusisto, Johanna; Laakso, Markku; Ladenvall, Claes; Mohlke, Karen L.; Morken, Mario A.; Narisu, Narisu; Nathan, David M.; Pascoe, Laura; Payne, Felicity; Petrie, John R.; Sayer, Avan A.; Schwarz, Peter E. H.; Scott, Laura J.; Stringham, Heather M.; Stumvoll, Michael; Swift, Amy J.; Syvänen, Ann-Christine; Tuomi, Tiinamaija; Tuomilehto, Jaakko; Tönjes, Anke; Valle, Timo T.; Williams, Gordon H.; Lind, Lars; Barroso, Inês; Quertermous, Thomas; Walker, Mark; Wareham, Nicholas J.; Meigs, James B.; McCarthy, Mark I.; Groop, Leif; Watanabe, Richard M.; Florez, Jose C.

    2010-01-01

    OBJECTIVE Recent genome-wide association studies have revealed loci associated with glucose and insulin-related traits. We aimed to characterize 19 such loci using detailed measures of insulin processing, secretion, and sensitivity to help elucidate their role in regulation of glucose control, insulin secretion and/or action. RESEARCH DESIGN AND METHODS We investigated associations of loci identified by the Meta-Analyses of Glucose and Insulin-related traits Consortium (MAGIC) with circulating proinsulin, measures of insulin secretion and sensitivity from oral glucose tolerance tests (OGTTs), euglycemic clamps, insulin suppression tests, or frequently sampled intravenous glucose tolerance tests in nondiabetic humans (n = 29,084). RESULTS The glucose-raising allele in MADD was associated with abnormal insulin processing (a dramatic effect on higher proinsulin levels, but no association with insulinogenic index) at extremely persuasive levels of statistical significance (P = 2.1 × 10−71). Defects in insulin processing and insulin secretion were seen in glucose-raising allele carriers at TCF7L2, SCL30A8, GIPR, and C2CD4B. Abnormalities in early insulin secretion were suggested in glucose-raising allele carriers at MTNR1B, GCK, FADS1, DGKB, and PROX1 (lower insulinogenic index; no association with proinsulin or insulin sensitivity). Two loci previously associated with fasting insulin (GCKR and IGF1) were associated with OGTT-derived insulin sensitivity indices in a consistent direction. CONCLUSIONS Genetic loci identified through their effect on hyperglycemia and/or hyperinsulinemia demonstrate considerable heterogeneity in associations with measures of insulin processing, secretion, and sensitivity. Our findings emphasize the importance of detailed physiological characterization of such loci for improved understanding of pathways associated with alterations in glucose homeostasis and eventually type 2 diabetes. PMID:20185807

  3. Electrochemical characterization of InP structures

    NASA Technical Reports Server (NTRS)

    Faur, Maria; Faur, Mircea; Vargas-Aburto, Carlos; Wilt, David M.; Goradia, Manju

    1992-01-01

    Electrochemical (EC) techniques represent a simple and yet accurate method to characterize InP and related materials structures. With EC techniques, uncertainties in the measurements arising from factors such as surface effects, the composition and thickness of a front dead layer, the contacts, etc., can be significantly reduced when both a suitable electrolyte is used and the measuring conditions are carefully selected. In this work, the use of photoelectrochemical techniques with InP structures is reported. The work focuses on both the characterization and the optimization of structures grown by thermal diffusion and by epitaxial methods. Characterization of the structures is done by studying the variation in the density of surface states, number of defects, and net majority carrier concentration as a function of material removed. A step-by-step optimization process of n(sup +)p and p(sup+)n InP structures is also described. This involves the passivation and subsequent removal of damaged layers in order to extract the performance parameters of solar cells fabricated with these structures.

  4. Detailed Mineralogical Characterizations of Four S-Asteroids: 138 Tolosa, 306 Unitas, 346 Hermentaria, and 480 Hansa

    NASA Technical Reports Server (NTRS)

    Hardersen, P. S.; Gaffey, M. J.; Abell, P. A.

    2005-01-01

    The S-asteroid taxonomic class is the second largest grouping of main-belt asteroids that are primarily located in the inner main belt (a < 3.0 AU) [1]. These asteroids have historically been the subject of interest within the asteroid community for several reasons. Continuing discussions about the nature of the S-asteroids (ordinary chondrite-like or thermally-evolved) and the putative space weathering effect on S-asteroids serve as examples of issues currently unresolved within the community [2,3]. Despite this general interest, detailed mineralogical investigations of individual S-asteroids has been relatively rare. A few workers have studied individual, or small groups of, S-asteroids [4,5,6,7]. Gaffey et al. [2] published their S-asteroid survey in 1993 that characterized 39 of the 144 then-classified S-asteroids. Despite the work already accomplished, the need exists to rigorously characterize the remaining S-asteroid population to gain a better understanding of these asteroids origin, nature, and physical characteristics.

  5. Detailed measurement of the magnitude and orientation of thermal gradients in lined boreholes for characterizing groundwater flow in fractured rock

    NASA Astrophysics Data System (ADS)

    Pehme, Peeter; Parker, Beth L.; Cherry, John A.; Blohm, Detlef

    2014-05-01

    Recent developments have led to revitalization of the use of temperature logging for characterizing flow through fractured rock. The sealing of boreholes using water-filled, flexible impermeable liners prevents vertical cross connection between fractures intersecting the hole and establishes a static water column with a temperature stratification that mimics that in the surrounding formation. Measurement of the temperature profile of the lined-hole, water column (using a high sensitivity single-point probe achieving resolution on the order of 0.001 °C) has identified fractures with active flow under ambient groundwater conditions (without cross connecting flow along the borehole). Detection of flow in fractures was further improved with the use of a heater to create thermal disequilibrium in the active line source (ALS) technique and eliminate normal depth limitations in the process. This paper presents another advancement; detailed measurement of the magnitude and direction of the thermal gradient to characterize flow through fractured rock. The temperature within the water column is measured along the length of the lined hole using a temperature vector probe (TVP): four high sensitivity sensors arranged in a tetrahedral pattern oriented using three directional magnetometers. Based on these data, the horizontal and vertical components of the thermal field, as well as the direction of temperature gradient are determined, typically at depth intervals of less than 0.01 m. This probe was assessed and refined by trials in over 30 lined boreholes; the results from two holes through a fractured dolostone aquifer in Guelph, Ontario are used as exampled. Since no other device exists for measuring flow magnitude and direction under the ambient flow condition created by lined holes, the performance of the TVP is assessed by examining the reproducibility of the temperature measurements through an ALS test, and by the consistency of the results relative to other types of

  6. Mechanistic Details of Glutathione Biosynthesis Revealed by Crystal Structures of Saccharomyces cerevisiae Glutamate Cysteine Ligase

    SciTech Connect

    Biterova, Ekaterina I.; Barycki, Joseph J.

    2009-12-01

    Glutathione is a thiol-disulfide exchange peptide critical for buffering oxidative or chemical stress, and an essential cofactor in several biosynthesis and detoxification pathways. The rate-limiting step in its de novo biosynthesis is catalyzed by glutamate cysteine ligase, a broadly expressed enzyme for which limited structural information is available in higher eukaryotic species. Structural data are critical to the understanding of clinical glutathione deficiency, as well as rational design of enzyme modulators that could impact human disease progression. Here, we have determined the structures of Saccharomyces cerevisiae glutamate cysteine ligase (ScGCL) in the presence of glutamate and MgCl{sub 2} (2.1 {angstrom}; R = 18.2%, R{sub free} = 21.9%), and in complex with glutamate, MgCl{sub 2}, and ADP (2.7 {angstrom}; R = 19.0%, R{sub free} = 24.2%). Inspection of these structures reveals an unusual binding pocket for the {alpha}-carboxylate of the glutamate substrate and an ATP-independent Mg{sup 2+} coordination site, clarifying the Mg{sup 2+} dependence of the enzymatic reaction. The ScGCL structures were further used to generate a credible homology model of the catalytic subunit of human glutamate cysteine ligase (hGCLC). Examination of the hGCLC model suggests that post-translational modifications of cysteine residues may be involved in the regulation of enzymatic activity, and elucidates the molecular basis of glutathione deficiency associated with patient hGCLC mutations.

  7. A sedimentological approach to hydrologic characterization: A detailed three-dimensional study of an outcrop of the Sierra Ladrones Formation, Albuquerque basin

    SciTech Connect

    Lohmann, R.C.

    1992-01-01

    Three-dimensional geologic outcrop studies which quantitatively describe the geologic architecture of deposits of a specific depositional environment are a necessary requirement for characterization of the permeability structure of an aquifer. The objective of this study is to address this need for quantitative, three-dimensional outcrop studies. For this study, a 10,000 m{sup 2} by 25 m high outcrop of Pliocene-Pleistocene Sierra Ladrones Formation located near Belen, New Mexico was mapped in detail, and the geologic architecture was quantified using geostatistical variogram analysis. In general, the information contained in this study should be useful for hydrologists working on the characterization of aquifers from similar depositional environments such as this one. However, for the permeability correlation study to be truly useful, the within-element correlation structure needs to be superimposed on the elements themselves instead of using mean log (k) values, as was done for this study. Such information is derived from outcrop permeability sampling such as the work of Davis (1990) and Goggin et al. (1988).

  8. Detailed gravity mapping of the Panther Mountain circular structure, Catskill Mountains, New York

    SciTech Connect

    Isachsen, Y.W. ); Revetta, F.A. )

    1993-03-01

    The Panther Mountain circular structure is located in the Catskill Mountains near the eastern edge of the Allegheny Plateau where depth through the sedimentary section to basement is about 3200 m. The structure is distinguished from the rest of the Plateau only by its physiography. It is a circular mountain mass, 10 km in diameter, defined by an anomalous annular drainage pattern formed by Esopus Creek and its tributary Woodland Creek. Because of pervasive fluvial cross bedding in the sedimentary pile, the authors were unable to determine whether the structure is slightly domical, sightly basinal, or unwarped. North-south and east-west gravity profiles were next made and modeled to look for a subsurface explanation for the structure. The only computed profiles that matched the measured values were those for a shallowly-buried meteorite crater with its underlying breccia lens, lying beneath the Panther Mountain. Renewed interest in the structure led them to make 125 new gravity measurements, in a study that is continuing. Gravity values are corrected using the International Gravity Formula of 1967 and densities of 2.67 and 2.50 gms/cm[sup 3]. Terrain corrections were computed using an inner radius of .895 km and an outer radius of 166.70 km. The complete Bouguer gravity anomaly was separated into its regional and residual components to obtain a third order residual gravity map for computer modeling. The residual gravity map confirms the earlier detected gravity low and leaves the buried meteorite crater model as a viable model.

  9. Detailed characterization of the 1087 MeV/nucleon iron-56 beam used for radiobiology at the alternating gradient synchrotron

    NASA Technical Reports Server (NTRS)

    Zeitlin, C.; Heilbronn, L.; Miller, J.

    1998-01-01

    We report beam characterization and dosimetric measurements made using a 56Fe beam extracted from the Brookhaven National Laboratory Alternating Gradient Synchrotron (AGS) with a kinetic energy of 1087 MeV/nucleon. The measurements reveal that the depth-dose distribution of this beam differs significantly from that obtained with a 600 MeV/nucleon iron beam used in several earlier radiobiology experiments at the Lawrence Berkeley National Laboratory's BEVALAC. We present detailed measurements of beam parameters relevant for radiobiology, including track- and dose-averaged linear energy transfer (LET), fragment composition and LET spectra measured behind sample holders used in irradiations of biological samples. We also report measurements of fluence behind three depths (1.94, 4.68 and 9.35 g cm(-2)) of polyethylene targets with the 1087 MeV/nucleon beam, and behind 1.94 g cm(-2) of polyethylene with a 610 MeV/nucleon beam delivered by the AGS. These results are compared to earlier measurements with the 600 MeV/nucleon beam at the BEVALAC.

  10. The effects of design details on cost and weight of fuselage structures

    NASA Technical Reports Server (NTRS)

    Swanson, G. D.; Metschan, S. L.; Morris, M. R.; Kassapoglou, C.

    1993-01-01

    Crown panel design studies showing the relationship between panel size, cost, weight, and aircraft configuration are compared to aluminum design configurations. The effects of a stiffened sandwich design concept are also discussed. This paper summarizes the effect of a design cost model in assessing the cost and weight relationships for fuselage crown panel designs. Studies were performed using data from existing aircraft to assess the effects of different design variables on the cost and weight of transport fuselage crown panel design. Results show a strong influence of load levels, panel size, and material choices on the cost and weight of specific designs. A design tool being developed under the NASA ACT program is used in the study to assess these issues. The effects of panel configuration comparing postbuckled and buckle resistant stiffened laminated structure is compared to a stiffened sandwich concept. Results suggest some potential economy with stiffened sandwich designs for compression dominated structure with relatively high load levels.

  11. Detailed Study of Emission Structures in the Vicinity of LkHα 198

    NASA Astrophysics Data System (ADS)

    Gevorgyan, M. H.; Movsessian, T. A.; Andreasyan, H. R.; Magakian, T. Yu.

    2016-09-01

    Results from a study of collimated flows near the star LkHα 198 are reported. Observations were made using the VAGR multipupil spectrograph installed on the 2.6-m telescope at the Byurakan Astrophysical Observatory. The morphology and kinematics of emission structures in the vicinity of LkHα 198, including HH 161, were studied and electron density charts obtained. Besides the HH 161 object, our data revealed an arc-shaped emission structure with LkHα 198 at its apex. A shape of this kind is usually a direct indication of the presence of a cavity in a dark cloud blown out by a directed outflow. In addition, a faint "tail" extending in the direction of the central star is observed in HH 161. A comparison of these results with radio frequency observations shows that the probable source of HH 161 is the binary system LkHα 198.

  12. Detailed analysis of shake structures in the KLL Auger spectrum of H2S

    NASA Astrophysics Data System (ADS)

    Püttner, R.; Céolin, D.; Guillemin, R.; Kushawaha, R. K.; Marchenko, T.; Journel, L.; Piancastelli, M. N.; Simon, M.

    2016-04-01

    Shake processes of different origin are identified in the KLL Auger spectrum of H2S with unprecedented detail. The KLL Auger spectrum is presented together with the S 1 s-1 photoelectron spectrum including the S 1 s-1V-1n λ and S 1 s-12 p-1n λ shake-up satellites with V-1 and n λ indicating a hole in the valence shell and an unoccupied molecular orbital, respectively. By using different photon energies between 2476 and 4150 eV to record the KLL Auger spectra two different shake-up processes responsible for the satellite lines are identified. The first process is a shake-up during the Auger decay of the S 1 s-1 core hole and can be described by S 1 s-1→2 p-2V-1n λ . The second process is the Auger decay of the shake-up satellite in the ionization process leading to S 1 s-1V-1n λ →2 p-2V-1n λ transitions. By combining the results of photoelectron and Auger spectra the involved V-1n λ levels are assigned.

  13. Structural Characterization of Sm(III)(EDTMP).

    PubMed

    Yang, Y; Pushie, M J; Cooper, D M L; Doschak, M R

    2015-11-01

    Samarium-153 ethylenediamine-N,N,N',N'-tetrakis(methylenephosphonic acid) ((153)Sm-EDTMP, or samarium lexidronam), also known by its registered trademark name Quadramet, is an approved therapeutic radiopharmaceutical used in the palliative treatment of painful bone metastases. Typically, patients with prostate, breast, or lung cancer are most likely to go on to require bone pain palliation treatment due to bone metastases. Sm(EDTMP) is a bone-seeking drug which accumulates on rapidly growing bone, thereby delivering a highly region-specific dose of radiation, chiefly through β particle emission. Even with its widespread clinical use, the structure of Sm(EDTMP) has not yet been characterized at atomic resolution, despite attempts to crystallize the complex. Herein, we prepared a 1:1 complex of the cold (stable isotope) of Sm(EDTMP) under alkaline conditions and then isolated and characterized the complex using conventional spectroscopic techniques, as well as with extended X-ray absorption fine structure (EXAFS) spectroscopy and density functional structure calculations, using natural abundance Sm. We present the atomic resolution structure of [Sm(III)(EDTMP)-8H](5-) for the first time, supported by the EXAFS data and complementary spectroscopic techniques, which demonstrate that the samarium coordination environment in solution is in agreement with the structure that has long been conjectured. PMID:26437889

  14. Detailed Post-Soft Impact Progressive Damage Assessment for Hybrid Structure Jet Engines

    NASA Technical Reports Server (NTRS)

    Siddens, Aaron; Bayandor, Javid; Celestina, Mark L.

    2014-01-01

    Currently, certification of engine designs for resistance to bird strike is reliant on physical tests. Predictive modeling of engine structural damage has mostly been limited to evaluation of individual forward section components, such as fan blades within a fixed frame of reference, to direct impact with a bird. Such models must be extended to include interactions among engine components under operating conditions to evaluate the full extent of engine damage. This paper presents the results of a study aim to develop a methodology for evaluating bird strike damage in advanced propulsion systems incorporating hybrid composite/metal structures. The initial degradation and failure of individual fan blades struck by a bird were investigated. Subsequent damage to other fan blades and engine components due to resultant violent fan assembly vibrations and fragmentation was further evaluated. Various modeling parameters for the bird and engine components were investigated to determine guidelines for accurately capturing initial damage and progressive failure of engine components. Then, a novel hybrid structure modeling approach was investigated and incorporated into the crashworthiness methodology. Such a tool is invaluable to the process of design, development, and certification of future advanced propulsion systems.

  15. Synthesis and structural characterization of CZTS nanoparticles

    SciTech Connect

    Lydia, R.; Reddy, P. Sreedhara

    2013-06-03

    The CZTS nanoparticles were successfully synthesized by Chemical co-precipitation method with different pH values in the range of 6 to 8. The synthesized nanoparticles were characterized by X-ray diffraction, scanning electron microscopy and energy dispersive spectroscopy. XRD studies revealed that the CZTS nanoparticles exhibited Kesterite Structure with preferential orientation along the (112) direction. Sample at pH value of 7 reached the nearly stoichiometric ratio.

  16. A detailed study of nucleon structure function in nuclei in the valence quark region

    SciTech Connect

    Bianchi, N.

    1994-04-01

    The so called {open_quotes}EMC effect{close_quotes} discovered during the 1980`s, has caused a big controversy in the community of nuclear and high energy physicists; during the last ten years, five experiments have been performed in different laboratories and several hundreds of papers about the possible interpretation of the modification of the nucleon structure function inside nuclei have been published. However, from the experimental point of view, the main goal of four experiments (EMC, BCDMS, NMC, FNAL) has been to emphasize the region of low x{sub b}, where shadowing effects appear. In the region of valence quarks and nuclear effects (x{sub b} > 0.1 - 0.2) the most reliable data presently available are from the SLAC E139 experiment performed in 1983 with only 80 hours of beam time. New precise data in the valence quark region are necessary to measure separate structure functions F{sub 2}(x{sub b}, Q{sup 2}) and R{sup lt}(x{sub b},Q{sup 2}) = {sigma}{sub l}/{sigma}{sub t}, and to investigate the real A-dependence of the ratio between bound and free-nucleon structure functions which is not completely defined by the SLAC data. Moreover, from the nuclear physics point of view, a measurement on some unexplored nuclei, like {sup 3}He and {sup 48}Ca, would be of great interest. The intermediate scaling region (0.1 < x{sub b} < 0.7) would be accessible at CEBAF if the machine energy will reach 6-8 GeV, as suggested by all the tests performed on the RF cavities. This physics program has been already presented in two letter of intents.

  17. Accuracy assessment of modeling architectural structures and details using terrestrial laser scanning

    NASA Astrophysics Data System (ADS)

    Kedzierski, M.; Walczykowski, P.; Orych, A.; Czarnecka, P.

    2015-08-01

    One of the most important aspects when performing architectural documentation of cultural heritage structures is the accuracy of both the data and the products which are generated from these data: documentation in the form of 3D models or vector drawings. The paper describes an assessment of the accuracy of modelling data acquired using a terrestrial phase scanner in relation to the density of a point cloud representing the surface of different types of construction materials typical for cultural heritage structures. This analysis includes the impact of the scanning geometry: the incidence angle of the laser beam and the scanning distance. For the purposes of this research, a test field consisting of samples of different types of construction materials (brick, wood, plastic, plaster, a ceramic tile, sheet metal) was built. The study involved conducting measurements at different angles and from a range of distances for chosen scanning densities. Data, acquired in the form of point clouds, were then filtered and modelled. An accuracy assessment of the 3D model was conducted by fitting it with the point cloud. The reflection intensity of each type of material was also analyzed, trying to determine which construction materials have the highest reflectance coefficients, and which have the lowest reflection coefficients, and in turn how this variable changes for different scanning parameters. Additionally measurements were taken of a fragment of a building in order to compare the results obtained in laboratory conditions, with those taken in field conditions.

  18. Stochastic Kinetics of Viral Capsid Assembly Based on Detailed Protein Structures

    PubMed Central

    Hemberg, Martin; Yaliraki, Sophia N.; Barahona, Mauricio

    2006-01-01

    We present a generic computational framework for the simulation of viral capsid assembly which is quantitative and specific. Starting from PDB files containing atomic coordinates, the algorithm builds a coarse-grained description of protein oligomers based on graph rigidity. These reduced protein descriptions are used in an extended Gillespie algorithm to investigate the stochastic kinetics of the assembly process. The association rates are obtained from a diffusive Smoluchowski equation for rapid coagulation, modified to account for water shielding and protein structure. The dissociation rates are derived by interpreting the splitting of oligomers as a process of graph partitioning akin to the escape from a multidimensional well. This modular framework is quantitative yet computationally tractable, with a small number of physically motivated parameters. The methodology is illustrated using two different viruses which are shown to follow quantitatively different assembly pathways. We also show how in this model the quasi-stationary kinetics of assembly can be described as a Markovian cascading process, in which only a few intermediates and a small proportion of pathways are present. The observed pathways and intermediates can be related a posteriori to structural and energetic properties of the capsid oligomers. PMID:16473916

  19. Preliminary System Development and Detailed Structural Design and Analysis for the CanX-7 Nanosatellite

    NASA Astrophysics Data System (ADS)

    Singarayar, Fiona

    Satellites placed in LEO can remain there for an indefinite period of time. To reduce the density of this orbit so as to avoid potential collisions with other satellites, the IADC has published a report that suggests any satellite in LEO should de-orbit within 25 years. CanX-7 is a de-orbiting technology demonstration mission intended to help solve the global space debris problem. The work summarized in this thesis describes the author's contribution to the CanX-7 preliminary system development, as well as to the deployment detection and structural subsystems. Discussed herein are the challenges of carrying forward multiple designs in parallel and the factors and design trades that aid the decision-making process. This thesis not only presents the description of the final design of the nanosatellite, but also the evolution of the spacecraft from when it was initially envisioned in 2010 to its current state at the time of this writing.

  20. Detailed Analysis of the Structural Changes of Bone Matrix During the Demineralization Process Using Raman Spectroscopy

    NASA Astrophysics Data System (ADS)

    Timchenko, E. V.; Zherdeva, L. A.; Timchenko, P. E.; Volova, L. T.; Ponomareva, U. V.

    The results of experimental research of human cortical bone tissue depending on demineralization time were represented using Raman spectroscopy. Depending on demineralization time the ratio of the mineral (РO43- and CO32-) and organic components (amide I) of bone tissue, as well as changes in the spectral regions responsible for the structural integrity of the collagen fibers in bone tissue (1200-1460 cm-1 and 2880-3000 cm-1) were investigated. The observed changes show a decrease in mineral components: thus, the value of Raman band intensity at 956 and 1069 cm-1 for 5 minutes demineralization is 68.5 and 77.3%, for 20 minutes - 55.1 and 61.1%, for 120 minutes - 32.8 and 37% from Raman intensity values of not demineralized tissue objects respectively.

  1. Structural Characterization of LRRK2 Inhibitors.

    PubMed

    Gilsbach, Bernd K; Messias, Ana C; Ito, Genta; Sattler, Michael; Alessi, Dario R; Wittinghofer, Alfred; Kortholt, Arjan

    2015-05-14

    Kinase inhibition is considered to be an important therapeutic target for LRRK2 mediated Parkinson's disease (PD). Many LRRK2 kinase inhibitors have been reported but have yet to be optimized in order to qualify as drug candidates for the treatment of the disease. In order to start a structure-function analysis of such inhibitors, we mutated the active site of Dictyostelium Roco4 kinase to resemble LRRK2. Here, we show saturation transfer difference (STD) NMR and the first cocrystal structures of two potent in vitro inhibitors, LRRK2-IN-1 and compound 19, with mutated Roco4. Our data demonstrate that this system can serve as an excellent tool for the structural characterization and optimization of LRRK2 inhibitors using X-ray crystallography and NMR spectroscopy. PMID:25897865

  2. Detailed compositional characterization of plastic waste pyrolysis oil by comprehensive two-dimensional gas-chromatography coupled to multiple detectors.

    PubMed

    Toraman, Hilal E; Dijkmans, Thomas; Djokic, Marko R; Van Geem, Kevin M; Marin, Guy B

    2014-09-12

    The detailed compositional characterization of plastic waste pyrolysis oil was performed with comprehensive two-dimensional GC (GC×GC) coupled to four different detectors: a flame ionization detector (FID), a sulfur chemiluminescence detector (SCD), a nitrogen chemiluminescence detector (NCD) and a time of flight mass spectrometer (TOF-MS). The performances of different column combinations were assessed in normal i.e. apolar/mid-polar and reversed configurations for the GC×GC-NCD and GC×GC-SCD analyses. The information obtained from the four detectors and the use of internal standards, i.e. 3-chlorothiophene for the FID and the SCD and 2-chloropyridine for the NCD analysis, enabled the identification and quantification of the pyrolysis oil in terms of both group type and carbon number: hydrocarbon groups (n-paraffins, iso-paraffins, olefins and naphthenes, monoaromatics, naphthenoaromatics, diaromatics, naphthenodiaromatics, triaromatics, naphthenotriaromatics and tetra-aromatics), nitrogen (nitriles, pyridines, quinolines, indole, caprolactam, etc.), sulfur (thiols/sulfides, thiophenes/disulfides, benzothiophenes, dibenzothiophenes, etc.) and oxygen containing compounds (ketones, phenols, aldehydes, ethers, etc.). Quantification of trace impurities is illustrated for indole and caprolactam. The analyzed pyrolysis oil included a significant amount of nitrogen containing compounds (6.4wt%) and to a lesser extent sulfur containing compounds (0.6wt%). These nitrogen and sulfur containing compounds described approximately 80% of the total peak volume for respectively the NCD and SCD analysis. TOF-MS indicated the presence of the oxygen containing compounds. However only a part of the oxygen containing compounds (2.5wt%) was identified because of their low concentrations and possible overlap with the complex hydrocarbon matrix as no selective detector or preparative separation for oxygen compounds was used. PMID:25064537

  3. Detailed characterization of mechanical properties and molecular mobility within dry seed glasses: relevance to the physiology of dry biological systems.

    PubMed

    Ballesteros, Daniel; Walters, Christina

    2011-11-01

    Slow movement of molecules in glassy matrices controls the kinetics of chemical and physical reactions in dry seeds. Variation in physiological activity among seeds suggests that there are differences in mobility among seed glasses. Testing this hypothesis is difficult because few tools are available to measure molecular mobility within dry seeds. Here, motional properties within dry pea cotyledons were assessed using dynamic mechanical analysis. The technique detected several molecular relaxations between -80 and +80°C and gave a more detailed description of water content-temperature effects on molecular motion than previously understood from studies of glass formation in seeds at glass transition (Tg). Diffusive movement is delimited by the α relaxation, which appears to be analogous to Tg. β and γ relaxations were also detected at temperatures lower than α relaxations, clearly demonstrating intramolecular motion within the glassy matrix of the pea cotyledon. Glass transitions, or the mechanical counterpart α relaxation, appear to be less relevant to seed aging during dry storage than previously thought. On the other hand, β relaxation occurs at temperature and moisture conditions typically used for seed storage and has established importance for physical aging of synthetic polymer glasses. Our data show that the nature and extent of molecular motion varies considerably with moisture and temperature, and that the hydrated conditions used for accelerated aging experiments and ultra-dry conditions sometimes recommended for seed storage give greater molecular mobility than more standard seed storage practices. We believe characterization of molecular mobility is critical for evaluating how dry seeds respond to the environment and persist through time. PMID:21831210

  4. Contextual Land Use Classification: how Detailed can the Class Structure Be?

    NASA Astrophysics Data System (ADS)

    Albert, L.; Rottensteiner, F.; Heipke, C.

    2016-06-01

    The goal of this paper is to investigate the maximum level of semantic resolution that can be achieved in an automated land use change detection process based on mono-temporal, multi-spectral, high-resolution aerial image data. For this purpose, we perform a step-wise refinement of the land use classes that follows the hierarchical structure of most object catalogues for land use databases. The investigation is based on our previous work for the simultaneous contextual classification of aerial imagery to determine land cover and land use. Land cover is determined at the level of small image segments. Land use classification is applied to objects from the geospatial database. Experiments are carried out on two test areas with different characteristics and are intended to evaluate the step-wise refinement of the land use classes empirically. The experiments show that a semantic resolution of ten classes still delivers acceptable results, where the accuracy of the results depends on the characteristics of the test areas used. Furthermore, we confirm that the incorporation of contextual knowledge, especially in the form of contextual features, is beneficial for land use classification.

  5. Herschel far-infrared observations of the Carina Nebula complex. III. Detailed cloud structure and feedback effects

    NASA Astrophysics Data System (ADS)

    Roccatagliata, V.; Preibisch, T.; Ratzka, T.; Gaczkowski, B.

    2013-06-01

    Context. The star formation process in large clusters/associations can be strongly influenced by the feedback from high-mass stars. Whether the resulting net effect of the feedback is predominantly negative (cloud dispersal) or positive (triggering of star formation due to cloud compression) is still an open question. Aims: The Carina Nebula complex (CNC) represents one of the most massive star-forming regions in our Galaxy. We use our Herschel far-infrared observations to study the properties of the clouds over the entire area of the CNC (with a diameter of ≈3.2°, which corresponds to ≈125 pc at a distance of 2.3 kpc). The good angular resolution (10''-36'') of the Herschel maps corresponds to physical scales of 0.1-0.4 pc, and allows us to analyze the small-scale (i.e., clump-size) structures of the clouds. Methods: The full extent of the CNC was mapped with PACS and SPIRE in the 70, 160, 250, 350, and 500 μm bands. We determined temperatures and column densities at each point in these maps by modeling the observed far-infrared spectral energy distributions. We also derived a map showing the strength of the UV radiation field. We investigated the relation between the cloud properties and the spatial distribution of the high-mass stars and computed total cloud masses for different density thresholds. Results: Our Herschel maps resolve for the first time the small-scale structure of the dense clouds over the entire spatial extent of the CNC. Several particularly interesting regions, including the prominent pillars south of η Car, are analyzed in detail. We compare the cloud masses derived from the Herschel data with previous mass estimates based on sub-mm and molecular line data. Our maps also reveal a peculiar wave-like pattern in the northern part of the Carina Nebula. Finally, we characterize two prominent cloud complexes at the periphery of our Herschel maps, which are probably molecular clouds in the Galactic background. Conclusions: We find that the

  6. Detailed seismic velocity structure beneath the Hokkaido corner, NE Japan: Collision process of the forearc sliver

    NASA Astrophysics Data System (ADS)

    Kita, S.; Hasegawa, A.; Okada, T.; Nakajima, J.; Matsuzawa, T.; Katsumata, K.

    2010-12-01

    1. Introduction In south-eastern Hokkaido, the Kuril forearc sliver is colliding with the northeastern Japan arc due to the oblique subduction of the Pacific plate. This collision causes the formation of the Hidaka mountain range since the late Miocene (Kimura, 1986) and delamination of the lower-crust materials of the Kuril forearc sliver, which would be expected to descend into the mantle wedge below (e.g., Ito 2000; Ito and Iwasaki, 2002). In this study, we precisely investigated the three-dimensional seismic velocity structure beneath the Hokkaido corner to examine the collision of two forearcs in this area by using both of data from a dense temporary seismic network deployed in this area (Katsumata et al. [2006]) and those from the Kiban observation network, which covers the entire Japanese Islands with a station separation of 15-20 km. 2. Data and method The double-difference tomography method (Zhang and Thurber, 2003; 2006) was applied to a large number of arrival time data of 201,527 for P-waves and 150,963 for S-waves that were recorded at 125 stations from 10,971 earthquakes that occurred from 1999 to 2010. Grid intervals were set at 10 km in the along-arc direction, 12.5 km perpendicular to it, and 5-10 km in the vertical direction. 3. Results and discussion Inhomogeneous seismic velocity structure was clearly imaged in the Hokkaido corner at depths of 0-120 km. A high-velocity anomaly of P- and S- waves with a volume of 20 km x 90 km x 35km was detected just beneath the main zone of the Hidaka metamorphic belt at depths of 0-35 km. This high-velocity anomaly is continuously distributed from the depths of the mantle wedge to the surface. The western edge of the anomaly exactly corresponds to the Hidaka main thrust (HMT) at the surface. The highest velocity value in the anomaly corresponds to those of the uppermost mantle material (e.g. peridotite). The location of them at depths of 0-35km is also consistent with that of the Horoman-Peridotite belt, which

  7. Optimized murine lung preparation for detailed structural evaluation via micro-computed tomography

    PubMed Central

    Vasilescu, Dragoş M.; Knudsen, Lars; Ochs, Matthias; Weibel, Ewald R.

    2012-01-01

    Utilizing micro-X-ray CT (μCT) imaging, we sought to generate an atlas of in vivo and intact/ex vivo lungs from normal murine strains. In vivo imaging allows visualization of parenchymal density and small airways (15–28 μm/voxel). Ex vivo imaging of the intact lung via μCT allows for improved understanding of the three-dimensional lung architecture at the alveolar level with voxel dimensions of 1–2 μm. μCT requires that air spaces remain air-filled to detect alveolar architecture while in vivo structural geometry of the lungs is maintained. To achieve these requirements, a fixation and imaging methodology that permits nondestructive whole lung ex vivo μCT imaging has been implemented and tested. After in vivo imaging, lungs from supine anesthetized C57Bl/6 mice, at 15, 20, and 25 cmH2O airway pressure, were fixed in situ via vascular perfusion using a two-stage flushing system while held at 20 cmH2O airway pressure. Extracted fixed lungs were air-dried. Whole lung volume was acquired at 1, 7, 21, and >70 days after the lungs were dried and served as validation for fixation stability. No significant shrinkage was observed: +8.95% change from in vivo to fixed lung (P = 0.12), −1.47% change from day 1 to day 7 (P = 0.07), −2.51% change from day 1 to day 21 (P = 0.05), and −4.90% change from day 1 to day 70 and thereafter (P = 0.04). μCT evaluation showed well-fixed alveoli and capillary beds correlating with histological analysis. A fixation and imaging method has been established for μCT imaging of the murine lung that allows for ex vivo morphometric analysis, representative of the in vivo lung. PMID:21817110

  8. Detailed structure of the outer disk around HD 169142 with polarized light in H-band

    NASA Astrophysics Data System (ADS)

    Momose, Munetake; Morita, Ayaka; Fukagawa, Misato; Muto, Takayuki; Takeuchi, Taku; Hashimoto, Jun; Honda, Mitsuhiko; Kudo, Tomoyuki; Okamoto, Yoshiko K.; Kanagawa, Kazuhiro D.; Tanaka, Hidekazu; Grady, Carol A.; Sitko, Michael L.; Akiyama, Eiji; Currie, Thayne; Follette, Katherine B.; Mayama, Satoshi; Kusakabe, Nobuhiko; Abe, Lyu; Brandner, Wolfgang; Brandt, Timothy D.; Carson, Joseph C.; Egner, Sebastian; Feldt, Markus; Goto, Miwa; Guyon, Olivier; Hayano, Yutaka; Hayashi, Masahiko; Hayashi, Saeko S.; Henning, Thomas; Hodapp, Klaus W.; Ishii, Miki; Iye, Masanori; Janson, Markus; Kandori, Ryo; Knapp, Gillian R.; Kuzuhara, Masayuki; Kwon, Jungmi; Matsuo, Taro; McElwain, Michael W.; Miyama, Shoken; Morino, Jun-Ichi; Moro-Martin, Amaya; Nishimura, Tetsuo; Pyo, Tae-Soo; Serabyn, Eugene; Suenaga, Takuya; Suto, Hiroshi; Suzuki, Ryuji; Takahashi, Yasuhiro H.; Takami, Michihiro; Takato, Naruhisa; Terada, Hiroshi; Thalmann, Christian; Tomono, Daigo; Turner, Edwin L.; Watanabe, Makoto; Wisniewski, John; Yamada, Toru; Takami, Hideki; Usuda, Tomonori; Tamura, Motohide

    2015-10-01

    Coronagraphic imagery of the circumstellar disk around HD 169142 in H-band polarized intensity (PI) with Subaru/HiCIAO is presented. The emission scattered by dust particles at the disk surface in 0{^''.}2 ≤ r ≤ 1{^''.}2, or 29 ≤ r ≤ 174 au, is successfully detected. The azimuthally averaged radial profile of the PI shows a double power-law distribution, in which the PIs in r = 29-52 au and r = 81.2-145 au respectively show r-3 dependence. These two power-law regions are connected smoothly with a transition zone (TZ), exhibiting an apparent gap in r = 40-70 au. The PI in the inner power-law region shows a deep minimum whose location seems to coincide with the point source at λ = 7 mm. This can be regarded as another sign of a protoplanet in the TZ. The observed radial profile of the PI is reproduced by a minimally flaring disk with an irregular surface density distribution, an irregular temperature distribution, or with a combination of both. The depletion factor of surface density in the inner power-law region (r < 50 au) is derived to be ≥ 0.16 from a simple model calculation. The obtained PI image also shows small-scale asymmetries in the outer power-law region. Possible origins for these asymmetries include corrugation of the scattering surface in the outer region, and a shadowing effect by a puffed-up structure in the inner power-law region.

  9. Calculation of stellar structure. IV. Results using a detailed energy generation subroutine.

    NASA Astrophysics Data System (ADS)

    Rouse, C. A.

    1995-12-01

    The results from two solar model calculations using the "energy.for" energy generation and neutrino flux code (Bahcall & Pinsonneault 1992) are presented. The models of the present Sun were generated using the program described in the first three papers of this series and using only the helium abundance profile from the Bahcall & Ulrich (1988) (BU) standard model in the present model structure calculations. One model is a simulation of the BU model and yields a ^37^Cl solar neutrino counting rate of 7.0SNU (compared to 7.9SNU for the BU model) and a ^71^Ga neutrino experiment counting rate between 112 and 137SNU (compared to 132SNU for the BU model). The second model has a postulated small high-Z core (Rouse 1983) and yields a ^37^Cl neutrino experiment counting rate of 2.45SNU that is within one sigma of the Homestake Collaboration observed rate of (2.55+/-0.25)SNU (see Parke 1995). It yields a ^71^Ga neutrino experiment counting rate between 89 and 103SNU that is within one sigma of the GALLEX Collaboration neutrino experiment observed rate of (79+/-12)SNU (see Parke 1995). The theoretical ^8^B solar neutrino flux and the observed Kamiokande ^8^B flux (Hirata et al. 1989) are discussed regarding the puzzle of explaining both the chlorine experiment results and the Kamiokande results. The modification of the energy.for code for use in the current Rouse program is described. Consistency of a high-Z core solar model with theories of star formation from pre-stellar nuclei (Krat 1952; Urey 1956; Huang 1957) is suggested.

  10. Detailed electronic structure studies on superconducting MgB2 and related compounds

    NASA Astrophysics Data System (ADS)

    Ravindran, P.; Vajeeston, P.; Vidya, R.; Kjekshus, A.; Fjellvåg, H.

    2001-12-01

    In order to understand the unexpected superconducting behavior of MgB2 we have made electronic structure calculations for MgB2 and closely related systems. Our calculated Debye temperature from the elastic properties indicate that the average phonon frequency is very large in MgB2 compared with other superconducting intermetallics and its exceptionally higher Tc can be explained through a BCS mechanism only if phonon softening occurs or the phonon modes are highly anisotropic. We identified a doubly degenerate quasi-two-dimensional key-energy band in the vicinity of EF along the Γ-A direction of BZ (having equal amount of B px and py character) which plays an important role in deciding the superconducting behavior. Based on this result, we have searched for a similar electronic feature in isoelectronic compounds such as BeB2, CaB2, SrB2, LiBC, and MgB2C2 and found that hole doped LiBC and MgB2C2 are potential superconducting materials. We have found that EF in the closely related compound MgB4 is lying in a pseudogap with a negligibly small density of states at EF, which is not favorable for superconductivity. There are contradictory experimental results regarding the anisotropy in the elastic properties of MgB2 ranging from isotropic to moderately anisotropic to highly anisotropic. In order to settle this issue we have calculated the single-crystal elastic constants for MgB2 by the accurate full-potential method and derived the directional-dependent linear compressibility, Young's modulus, shear modulus, and relevant elastic properties from these results. We have observed large anisotropy in the elastic properties consistent with recent high-pressure findings. Our calculated polarized optical dielectric tensor shows highly anisotropic behavior even though it possesses isotropic transport property. MgB2 possesses a mixed bonding character and this has been verified from density of states, charge density, and crystal orbital Hamiltonian population analyses.

  11. COG Complex Complexities: Detailed Characterization of a Complete Set of HEK293T Cells Lacking Individual COG Subunits

    PubMed Central

    Bailey Blackburn, Jessica; Pokrovskaya, Irina; Fisher, Peter; Ungar, Daniel; Lupashin, Vladimir V.

    2016-01-01

    The Conserved Oligomeric Golgi complex is an evolutionarily conserved multisubunit tethering complex (MTC) that is crucial for intracellular membrane trafficking and Golgi homeostasis. The COG complex interacts with core vesicle docking and fusion machinery at the Golgi; however, its exact mechanism of action is still an enigma. Previous studies of COG complex were limited to the use of CDGII (Congenital disorders of glycosylation type II)-COG patient fibroblasts, siRNA mediated knockdowns, or protein relocalization approaches. In this study we have used the CRISPR approach to generate HEK293T knock-out (KO) cell lines missing individual COG subunits. These cell lines were characterized for glycosylation and trafficking defects, cell proliferation rates, stability of COG subunits, localization of Golgi markers, changes in Golgi structure, and N-glycan profiling. We found that all KO cell lines were uniformly deficient in cis/medial-Golgi glycosylation and each had nearly abolished binding of Cholera toxin. In addition, all cell lines showed defects in Golgi morphology, retrograde trafficking and sorting, sialylation and fucosylation, but severities varied according to the affected subunit. Lobe A and Cog6 subunit KOs displayed a more severely distorted Golgi structure, while Cog2, 3, 4, 5, and 7 knock outs had the most hypo glycosylated form of Lamp2. These results led us to conclude that every subunit is essential for COG complex function in Golgi trafficking, though to varying extents. We believe that this study and further analyses of these cells will help further elucidate the roles of individual COG subunits and bring a greater understanding to the class of MTCs as a whole. PMID:27066481

  12. Characterization of a laboratory-scale container for freezing protein solutions with detailed evaluation of a freezing process simulation.

    PubMed

    Roessl, Ulrich; Jajcevic, Dalibor; Leitgeb, Stefan; Khinast, Johannes G; Nidetzky, Bernd

    2014-02-01

    A 300-mL stainless steel freeze container was constructed to enable QbD (Quality by Design)-compliant investigations and the optimization of freezing and thawing (F/T) processes of protein pharmaceuticals at moderate volumes. A characterization of the freezing performance was conducted with respect to freezing kinetics, temperature profiling, cryoconcentration, and stability of the frozen protein. Computational fluid dynamic (CFD) simulations of temperature and phase transition were established to facilitate process scaling and process analytics as well as customization of future freeze containers. Protein cryoconcentration was determined from ice-core samples using bovine serum albumin. Activity, aggregation, and structural perturbation were studied in frozen rabbit muscle l-lactic dehydrogenase (LDH) solution. CFD simulations provided good qualitative and quantitative agreement with highly resolved experimental measurements of temperature and phase transition, allowing also the estimation of spatial cryoconcentration patterns. LDH exhibited stability against freezing in the laboratory-scale system, suggesting a protective effect of cryoconcentration at certain conditions. The combination of the laboratory-scale freeze container with accurate CFD modeling will allow deeper investigations of F/T processes at advanced scale and thus represents an important step towards a better process understanding. PMID:24338205

  13. Detailed characterization of a Comparative Reactivity Method (CRM) instrument for ambient OH reactivity measurements: experiments vs. modeling

    NASA Astrophysics Data System (ADS)

    Michoud, Vincent; Locoge, Nadine; Dusanter, Sébastien

    2015-04-01

    The Hydroxyl radical (OH) is the main daytime oxidant in the troposphere, leading to the oxidation of Volatile Organic Compounds (VOCs) and the formation of harmful pollutants such as ozone (O3) and Secondary Organic Aerosols (SOA). While OH plays a key role in tropospheric chemistry, recent studies have highlighted that there are still uncertainties associated with the OH budget, i.e the identification of sources and sinks and the quantification of production and loss rates of this radical. It has been demonstrated that ambient measurements of the total OH loss rate (also called total OH reactivity) can be used to identify and reduce these uncertainties. In this context, the Comparative Reactivity Method (CRM), developed by Sinha et al. (ACP, 2008), is a promising technique to measure total OH reactivity in ambient air and has already been used during several field campaigns. This technique relies on monitoring competitive reactions of OH with ambient trace gases and a reference compound (pyrrole) in a sampling reactor to derive ambient OH reactivity. However, this technique requires a complex data processing chain that has yet to be carefully investigated in the laboratory. In this study, we present a detailed characterization of a CRM instrument developed at Mines Douai, France. Experiments have been performed to investigate the dependence of the CRM response on humidity, ambient NOx levels, and the pyrrole-to-OH ratio inside the sampling reactor. Box modelling of the chemistry occurring in the reactor has also been performed to assess our theoretical understanding of the CRM measurement. This work shows that the CRM response is sensitive to both humidity and NOx, which can be accounted for during data processing using parameterizations depending on the pyrrole-to-OH ratio. The agreement observed between laboratory studies and model results suggests a good understanding of the chemistry occurring in the sampling reactor and gives confidence in the CRM

  14. Nondestructive characterization of structural ceramic components

    SciTech Connect

    Ellingson, W.A.; Steckenrider, J.S.; Sivers, E.A.; Ling, J.R.

    1994-06-01

    Advanced structural ceramic components under development for heat-engine applications include both monolithic and continuous fiber composites (CFC). Nondestructive characterization (NDC) methods being developed differ for each material system. For monolithic materials, characterization during processing steps is important. For many CFC, only post process characterization is possible. Many different NDC systems have been designed and built A 3D x-ray micro computed tomographic (3DXCT) imaging system has been shown to be able to map density variations to better than 3% in pressure slip cast Si{sub 3}N{sub 4} monolithic materials. In addition, 3DXCT coupled to image processing has been shown to be able to map through-thickness fiber orientations in 2D lay-ups of 0{degrees}/45{degrees}, 0{degrees}/75{degrees}, 0{degrees}/90{degrees}, in SiC/SiC CVI CFC. Fourier optics based laser scatter systems have been shown to be able to detect surface and subsurface defects (as well as microstructural variations) in monolithic Si{sub 3}N{sub 4} bearing balls. Infrared methods using photothermal excitation have been shown to be able to detect and measure thermal diffusivity differences on SiC/SiC 2D laminated CFC which have been subjected to different thermal treatments including thermal shock and oxidizing environments. These NDC methods and their applications help provide information to allow reliable usage of ceramics in advanced heat engine applications.

  15. Diffractaic acid: Crystalline structure and physicochemical characterization

    NASA Astrophysics Data System (ADS)

    de Castro Fonseca, Jéssica; de Oliveira, Yara Santiago; Bezerra, Beatriz P.; Ellena, Javier; Honda, Neli Kika; Silva, Camilla V. N. S.; da Silva Santos, Noemia Pereira; Santos-Magalhães, Nereide Stela; Ayala, Alejandro Pedro

    2016-08-01

    Diffractaic acid (DA) is a secondary metabolite of lichens that belongs to the chemical class of depsides, and some relevant pharmacological properties are associated with this natural product, such as antioxidant, antiulcerogenic and gastroprotective effects. Considering the relevant biological activities and taking into account that the activities are intrinsically related to the structure, the main goal of this study was to elucidate the structure of diffractaic acid by single crystal X-ray diffraction as well to characterize its physicochemical properties by powder X-ray diffraction, thermal analysis and vibrational spectroscopy. It was observed that DA belongs to the monoclinic crystal system, crystallizing in the space group P21/c with the following cell parameters: a = 18.535(7) Å, b = 4.0439(18) Å, c = 23.964(6) Å, β = 91.55(3)°. The crystal packing is characterized by difractaic acid dimers, which are reflected in the vibrational spectrum. These observations were supported by quantum mechanical calculations.

  16. Thermomechanical characterization and modeling for TSV structures

    SciTech Connect

    Jiang, Tengfei; Zhao, Qiu; Im, Jay; Ho, Paul S.; Ryu, Suk-Kyu; Huang, Rui

    2014-06-19

    Continual scaling of devices and on-chip wiring has brought significant challenges for materials and processes beyond the 32-nm technology node in microelectronics. Recently, three-dimensional (3-D) integration with through-silicon vias (TSVs) has emerged as an effective solution to meet the future technology requirements. Among others, thermo-mechanical reliability is a key concern for the development of TSV structures used in die stacking as 3-D interconnects. This paper presents experimental measurements of the thermal stresses in TSV structures and analyses of interfacial reliability. The micro-Raman measurements were made to characterize the local distribution of the near-surface stresses in Si around TSVs. On the other hand, the precision wafer curvature technique was employed to measure the average stress and deformation in the TSV structures subject to thermal cycling. To understand the elastic and plastic behavior of TSVs, the microstructural evolution of the Cu vias was analyzed using focused ion beam (FIB) and electron backscattering diffraction (EBSD) techniques. Furthermore, the impact of thermal stresses on interfacial reliability of TSV structures was investigated by a shear-lag cohesive zone model that predicts the critical temperatures and critical via diameters.

  17. Closed benchmarks for network community structure characterization

    NASA Astrophysics Data System (ADS)

    Aldecoa, Rodrigo; Marín, Ignacio

    2012-02-01

    Characterizing the community structure of complex networks is a key challenge in many scientific fields. Very diverse algorithms and methods have been proposed to this end, many working reasonably well in specific situations. However, no consensus has emerged on which of these methods is the best to use in practice. In part, this is due to the fact that testing their performance requires the generation of a comprehensive, standard set of synthetic benchmarks, a goal not yet fully achieved. Here, we present a type of benchmark that we call “closed,” in which an initial network of known community structure is progressively converted into a second network whose communities are also known. This approach differs from all previously published ones, in which networks evolve toward randomness. The use of this type of benchmark allows us to monitor the transformation of the community structure of a network. Moreover, we can predict the optimal behavior of the variation of information, a measure of the quality of the partitions obtained, at any moment of the process. This enables us in many cases to determine the best partition among those suggested by different algorithms. Also, since any network can be used as a starting point, extensive studies and comparisons can be performed using a heterogeneous set of structures, including random ones. These properties make our benchmarks a general standard for comparing community detection algorithms.

  18. Structural Characterization of Arabidopsis Leaf Arabinogalactan Polysaccharides1[W

    PubMed Central

    Tryfona, Theodora; Liang, Hui-Chung; Kotake, Toshihisa; Tsumuraya, Yoichi; Stephens, Elaine; Dupree, Paul

    2012-01-01

    Proteins decorated with arabinogalactan (AG) have important roles in cell wall structure and plant development, yet the structure and biosynthesis of this polysaccharide are poorly understood. To facilitate the analysis of biosynthetic mutants, water-extractable arabinogalactan proteins (AGPs) were isolated from the leaves of Arabidopsis (Arabidopsis thaliana) plants and the structure of the AG carbohydrate component was studied. Enzymes able to hydrolyze specifically AG were utilized to release AG oligosaccharides. The released oligosaccharides were characterized by high-energy matrix-assisted laser desorption ionization-collision-induced dissociation mass spectrometry and polysaccharide analysis by carbohydrate gel electrophoresis. The Arabidopsis AG is composed of a β-(1→3)-galactan backbone with β-(1→6)-d-galactan side chains. The β-(1→6)-galactan side chains vary in length from one to over 20 galactosyl residues, and they are partly substituted with single α-(1→3)-l-arabinofuranosyl residues. Additionally, a substantial proportion of the β-(1→6)-galactan side chain oligosaccharides are substituted at the nonreducing termini with single 4-O-methyl-glucuronosyl residues via β-(1→6)-linkages. The β-(1→6)-galactan side chains are occasionally substituted with α-l-fucosyl. In the fucose-deficient murus1 mutant, AGPs lack these fucose modifications. This work demonstrates that Arabidopsis mutants in AGP structure can be identified and characterized. The detailed structural elucidation of the AG polysaccharides from the leaves of Arabidopsis is essential for insights into the structure-function relationships of these molecules and will assist studies on their biosynthesis. PMID:22891237

  19. Detailed fault structure of the Tarutung Pull-Apart Basin in Sumatra, Indonesia, derived from local earthquake data

    NASA Astrophysics Data System (ADS)

    Muksin, Umar; Haberland, Christian; Nukman, Mochamad; Bauer, Klaus; Weber, Michael

    2014-12-01

    The Tarutung Basin is located at a right step-over in the northern central segment of the dextral strike-slip Sumatran Fault System (SFS). Details of the fault structure along the Tarutung Basin are derived from the relocations of seismicity as well as from focal mechanism and structural geology. The seismicity distribution derived by a 3D inversion for hypocenter relocation is clustered according to a fault-like seismicity distribution. The seismicity is relocated with a double-difference technique (HYPODD) involving the waveform cross-correlations. We used 46,904 and 3191 arrival differences obtained from catalogue data and cross-correlation analysis, respectively. Focal mechanisms of events were analyzed by applying a grid search method (HASH code). Although there is no significant shift of the hypocenters (10.8 m in average) and centroids (167 m in average), the application of the double difference relocation sharpens the earthquake distribution. The earthquake lineation reflects the fault system, the extensional duplex fault system, and the negative flower structure within the Tarutung Basin. The focal mechanisms of events at the edge of the basin are dominantly of strike-slip type representing the dextral strike-slip Sumatran Fault System. The almost north-south striking normal fault events along extensional zones beneath the basin correlate with the maximum principal stress direction which is the direction of the Indo-Australian plate motion. The extensional zones form an en-echelon pattern indicated by the presence of strike-slip faults striking NE-SW to NW-SE events. The detailed characteristics of the fault system derived from the seismological study are also corroborated by structural geology at the surface.

  20. Structural characterization of rotor blades through photogrammetry

    NASA Astrophysics Data System (ADS)

    Bernardini, Giovanni; Serafini, Jacopo; Enei, Claudio; Mattioni, Luca; Ficuciello, Corrado; Vezzari, Valerio

    2016-06-01

    This paper deals with the use of photogrammetry for the experimental identification of structural and inertial properties of helicopter rotor blades4. The identification procedure is based upon theoretical/numerical algorithms for the evaluation of mass and flexural stiffness distributions which are an extension of those proposed in the past by Larsen, whereas the torsional properties (stiffness and shear center position) are determined through the Euler–Bernoulli beam theory. The identification algorithms require the knowledge of the blade displacement field produced by known steady loads. These data are experimentally obtained through photogrammetric detection technique, which allows the identification of 3D coordinates of labeled points (markers) on the structure through the correlation of 2D digital photos. Indeed, the displacement field is simply evaluated by comparing the markers positions on the loaded configuration with those on the reference one. The proposed identification procedure, numerically and experimentally validated in the past by the authors, has been here applied to the structural characterization of two main rotor blades, designed for ultra-light helicopters. Strain gauges measurements have been used to assess the accuracy of the identified properties through natural frequencies comparison as well as to evaluate the blades damping characteristics.

  1. Hierarchical structures of amorphous solids characterized by persistent homology

    PubMed Central

    Hiraoka, Yasuaki; Nakamura, Takenobu; Hirata, Akihiko; Escolar, Emerson G.; Matsue, Kaname; Nishiura, Yasumasa

    2016-01-01

    This article proposes a topological method that extracts hierarchical structures of various amorphous solids. The method is based on the persistence diagram (PD), a mathematical tool for capturing shapes of multiscale data. The input to the PDs is given by an atomic configuration and the output is expressed as 2D histograms. Then, specific distributions such as curves and islands in the PDs identify meaningful shape characteristics of the atomic configuration. Although the method can be applied to a wide variety of disordered systems, it is applied here to silica glass, the Lennard-Jones system, and Cu-Zr metallic glass as standard examples of continuous random network and random packing structures. In silica glass, the method classified the atomic rings as short-range and medium-range orders and unveiled hierarchical ring structures among them. These detailed geometric characterizations clarified a real space origin of the first sharp diffraction peak and also indicated that PDs contain information on elastic response. Even in the Lennard-Jones system and Cu-Zr metallic glass, the hierarchical structures in the atomic configurations were derived in a similar way using PDs, although the glass structures and properties substantially differ from silica glass. These results suggest that the PDs provide a unified method that extracts greater depth of geometric information in amorphous solids than conventional methods. PMID:27298351

  2. Hierarchical structures of amorphous solids characterized by persistent homology.

    PubMed

    Hiraoka, Yasuaki; Nakamura, Takenobu; Hirata, Akihiko; Escolar, Emerson G; Matsue, Kaname; Nishiura, Yasumasa

    2016-06-28

    This article proposes a topological method that extracts hierarchical structures of various amorphous solids. The method is based on the persistence diagram (PD), a mathematical tool for capturing shapes of multiscale data. The input to the PDs is given by an atomic configuration and the output is expressed as 2D histograms. Then, specific distributions such as curves and islands in the PDs identify meaningful shape characteristics of the atomic configuration. Although the method can be applied to a wide variety of disordered systems, it is applied here to silica glass, the Lennard-Jones system, and Cu-Zr metallic glass as standard examples of continuous random network and random packing structures. In silica glass, the method classified the atomic rings as short-range and medium-range orders and unveiled hierarchical ring structures among them. These detailed geometric characterizations clarified a real space origin of the first sharp diffraction peak and also indicated that PDs contain information on elastic response. Even in the Lennard-Jones system and Cu-Zr metallic glass, the hierarchical structures in the atomic configurations were derived in a similar way using PDs, although the glass structures and properties substantially differ from silica glass. These results suggest that the PDs provide a unified method that extracts greater depth of geometric information in amorphous solids than conventional methods. PMID:27298351

  3. Structural characterization of copolymer embedded magnetic nanoparticles

    NASA Astrophysics Data System (ADS)

    Nedelcu, G. G.; Nastro, A.; Filippelli, L.; Cazacu, M.; Iacob, M.; Rossi, C. Oliviero; Popa, A.; Toloman, D.; Dobromir, M.; Iacomi, F.

    2015-10-01

    Small magnetic nanoparticles (Fe3O4) were synthesized by co-precipitation and coated by emulsion polymerization with poly(methyl methacrylate-co-acrylic acid) (PMMA-co-AAc) to create surface functional groups that can attach drug molecules and other biomolecules. The coated and uncoated magnetite nanoparticles were stored for two years in normal closed ships and than characterized by Fourier transform infrared spectroscopy, X-ray diffraction, transmission electron microscopy, vibrating sample magnetometry, and electron paramagnetic resonance spectroscopy. The solid phase transformation of magnetite to maghemite, as well as an increase in particle size were evidenced for the uncoated nanoparticles. The coated nanoparticles preserved their magnetite structure and magnetic properties. The influences of monomers and surfactant layers on interactions between the magnetic nanoparticles evidenced that the thickness of the polymer has a significant effect on magnetic properties.

  4. Detailed seismic attenuation structure beneath Hokkaido, northeastern Japan: Arc-arc collision process, arc magmatism, and seismotectonics

    NASA Astrophysics Data System (ADS)

    Kita, Saeko; Nakajima, Junichi; Hasegawa, Akira; Okada, Tomomi; Katsumata, Kei; Asano, Youichi; Kimura, Takeshi

    2014-08-01

    In this study, we imaged a detailed seismic attenuation structure (frequency-independent Q-1) beneath Hokkaido, Japan, by merging waveform data from a dense permanent seismic network with those from a very dense temporary network. Corner frequency of each event used for t* estimation was determined by the S coda wave spectral ratio method. The seismic attenuation (Qp-1) structure is clearly imaged at depths down to about 120 km. For the fore-arc side of Hokkaido, high-Qp zones are imaged at depths of 10 to 80 km in the crust and mantle wedge above the Pacific slab. Low-Qp zones are clearly imaged in the mantle wedge beneath the back-arc areas of eastern and southern Hokkaido. These low-Qp zones, extending from deeper regions, extend to the Moho beneath volcanoes, the locations of which are consistent with those of seismic low-velocity regions. These results suggest that the mantle wedge upwelling flow occurs beneath Hokkaido, except in the area where there is a gap in the volcano chain. In contrast, an inhomogeneous seismic attenuation structure is clearly imaged beneath the Hokkaido corner. A broad low-Qp zone is located at depths of 0-60 km to the west of the Hidaka main thrust. The location almost corresponds to that of the seismic low-velocity zone in the collision zone. The fault planes of the 1970 M6.7 and 1982 M7.1 earthquakes are located at the edges of this broad low-Qp zone. Observations in this study indicate that our findings contribute to understanding the detailed arc-arc collision process, magmatism, and seismotectonics beneath Hokkaido.

  5. Detailed structural analysis of epitaxial MBE-grown Fe/Cr superlattices by x-ray diffraction and transmission-electron spectroscopy

    SciTech Connect

    Gomez, M.E.; Santamaria, J.; Kim, S.; Schuller, Ivan K.; Krishnan, Kannan M.

    2005-03-15

    We have performed a detailed quantitative structural analysis of epitaxial [Fe(3 nm)/Cr(1.2 nm)]{sub 20} superlattices by low- and high-angle x-ray diffraction, and energy-filtered transmission electron microscopy on cross-section samples. The interface roughness was changed systematically by varying the substrate temperature (150-250 deg. C) maintaining all other growth parameters fixed. Direct imaging of the interfaces allows examining the roughness of the individual interfaces and its evolution with thickness. A statistical analysis of the local interface width for the individual layers supplies the roughness static and dynamic exponents. High-temperature samples (250 deg. C) show roughness decreasing with thickness as a result of surface-diffusion-dominated growth. Low-temperature samples (150 deg. C) show anomalous non-self-affine roughness characterized by a time-dependent local interface width.

  6. Structural Characterization of Bimetallic Nanocrystal Electrocatalysts

    SciTech Connect

    Cullen, David A

    2016-01-01

    Late transition metal nanocrystals find applications in heterogeneous catalysis such as plasmon-enhanced catalysis and as electrode materials for fuel cells, a zero-emission and sustainable energy technology. Their commercial viability for automotive transportation has steadily increased in recent years, almost exclusively due to the discovery of more efficient bimetallic nanocatalysts for the oxygen reduction reaction (ORR) at the cathode. Despite improvements to catalyst design, achieving high activity while maintaining durability is essential to further enhance their performance for this and other important applications in catalysis. Electronic effects arising from the generation of metal-metal interfaces, from plasmonic metals, and from lattice distortions, can vastly improve sorption properties at catalytic surfaces, while increasing durability.[1] Multimetallic lattice-strained nanoparticles are thus an interesting opportunity for fundamental research.[2,3] A colloidal synthesis approach is demonstrated to produce AuPd alloy and Pd@Au core-shell nanoicosahedra as catalysts for electro-oxidations. The nanoparticles are characterized using aberration-corrected scanning transmission electron microscopy (ac-STEM) and large solid angle energy dispersive X-ray spectroscopy (EDS) on an FEI Talos 4-detector STEM/EDS system. Figure 1 shows bright-field (BF) and high-angle annular dark-field (HAADF) ac-STEM images of the alloy and core-shell nanoicosahedra together with EDS line-scans and elemental maps. These structures are unique in that the presence of twin boundaries, alloying, and core-shell morphology could create highly strained surfaces and interfaces. The shell thickness of the core-shell structures observed in HAADF-STEM images is tuned by adjusting the ratio between metal precursors (Figure 2a-f) to produce shells ranging from a few to several monolayers. Specific activity was measured in ethanol electro-oxidation to examine the effect of shell thickness on

  7. Structural Characterization of Crystalline Ice Nanoclusters

    NASA Technical Reports Server (NTRS)

    Blake, David

    2000-01-01

    Water ice nanoclusters are useful analogs for studying a variety of processes that occur within icy grains in the extraterrestrial environment. The surface of ice nanoclusters prepared in the laboratory is similar to the surface of interstellar ice grains. In cold molecular clouds, the silicate cores of interstellar grains are typically approx. 100 nm in diameter and have a coating of impure amorphous water ice. Depositional, thermal and radiolytic processes leave the surface and subsurface molecules in a disordered state. In this state, structural defects become mobile and reactions of trapped gases and small molecules can occur. The large surface area of nanocluster deposits relative to their bulk allows for routine observation of such surface-mediated processes. Furthermore, the disordered surface and subsurface layers in nanocluster deposits mimic the structure of amorphous ice rinds found on interstellar dust grains. Transmission Electron Microscopy (TEM has been used tn characterize the crystallinity, growth mechanism, and size distribution of nanoclusters formed from a mixture of water vapor with an inert carrier gas that has been rapidly cooled to 77K. E M imaging reveals a Gaussian size distribution around a modal diameter that increases from approx. 15 to 30 nm as the percentage of water vapor within the mixture increases from 0.5 to 2.007, respectively . TEM bright and dark field imaging also reveals the crystalline nature of the clusters. h4any of the clusters show a mosaic structure in which crystalline domains originate at the center Other images show mirror planes that are separated by approx. 10 nm. Electron diffraction patterns of these clusters show that the clusters are composed of cubic ice with only a small hexagonal component. Further, the crystalline domain size is approximately the same as the modal diameter suggesting that the clusters are single crystals.

  8. Structure and Characterization of Eriphia verrucosa Hemocyanin.

    PubMed

    Dolashki, A; Radkova, M; Todorovska, E; Ivanov, M; Stevanovic, S; Molin, L; Traldi, P; Voelter, W; Dolashka, P

    2015-12-01

    Arthropod hemocyanins (Hcs) are a family of large extracellular oxygen-transporting proteins with high molecular mass and hexameric or multi-hexameric molecular assembly. This study reports for the first time the isolation and characterization of the structure of an arthropod hemocyanin from crab Eriphia verrucosa (EvH) living in the Black Sea. Its oligomeric quaternary structure is based on different arrangements of a basic 6 × 75 kDa hexameric unit, and four of them (EvH1, EvH2, EvH3, and EvH4) were identified using ion-exchange chromatography. Subunit 3 (EvH3) shows high similarity scores (75.0, 87.5, 91.7, and 75.0 %, respectively) by comparison of the N-terminal sequence of subunit 1 from Cancer pagurus of the North Sea (Cp1), subunits 3 and 6 of Cancer magister (Cm3 and Cm6), and subunit 2 of Carcinus aestuarii (CaSS2), respectively. Moreover, a partial cDNA sequence (1309 bp) of E. verrucosa hemocyanin encoding a protein of 435 amino acids was isolated. The deduced amino acid sequence shows a high degree of similarity with subunits 3, 4, 5, and 6 of C. magister (81-84 %). Most of the hemocyanins are glycosylated, and three putative O-linkage sites were identified in the partial amino acid sequence of EvH at positions 444-446, 478-480, and 547-549, respectively. The higher stability of native Hc in comparison to its subunit EvH4 as determined by circular dichroism (CD) could be explained with the formation of a stabilizing quaternary structure. PMID:26256301

  9. Detailed mapping of reservoir structural geometry in detached, shortened fold belts, Ortega (Aptian-Albian) field area, Girardot basin, Colombia

    SciTech Connect

    Allen, G.D. )

    1990-05-01

    Discovery and development of oil fields in shortened compressional fold belts require recognition that the largest reservoirs occur in intermediate or third-order scale folds. Third-order folds generally are preserved in the footwall of larger scale fold thrusts, and may be concealed beneath smaller, detached surface folds of nonreservoir condition. A successful reservoir mapping procedure involved (1) detailed surface mapping, (2) depth conversion of seismic data (3) construction of a network of true-scale balanced cross sections, and (4) contour mapping above and below the major zones of detachment. Structure at the 11 million bbl Ortega field consist of convergent third-order fold thrusts, with internal decollement. Tight flexural-slip folds imbricate and tectonically thicken upward on the west-verging Ortega anticline. The buried, east-vergent Salado anticline acts as a buttress to westward propagation at Ortega but retreats along strike to allow the Porvenir anticline to develop a low, broad, fault-bend fold geometry. At least four fault blocks in the Ortega field remain untested because balanced section analysis has not been employed to create additional control points for structure contour maps on the top of the reservoir. It is speculated that another 10-50 million bbl of primary recoverable reserves remain in the Ortega field. In addition, reservoirs like the Ortega field should occur elsewhere in the Girardot basin. These reservoirs likely will occur all along the footwall of fold-thrust structures on the flank of the intrabasin Pata high.

  10. A method for detailed analysis of the structure of mast cell secretory granules by negative contrast imaging

    PubMed Central

    Tanaka, Shotaro; Takakuwa, Yuichi

    2016-01-01

    Secretory granules (SGs) in mast cells contain various molecules that elicit allergy symptoms and are generally considered therapeutic targets. However, the biogenesis, maintenance, regulation, and recycling of these granules remain controversial, mainly due to the lack of suitable live-cell imaging methods. In this study, we applied negative contrast imaging with soluble green fluorescent protein (GFP) expressed in the cytoplasm as a method to validate structural information of mast cell SGs. We evaluated the accuracy of the method in detail, and we demonstrated that it can be used for quantitative analysis. Using this technique, secretory granules, the nucleus, mitochondria, and the cell body were visualized in individual RBL-2H3 mast cells without any influence. When combined with conventional multicolor fluorescence imaging, visualization of SG-associated proteins and SG–SG fusion was achieved. Moreover, 3D images were constructed based on this method, and detailed information on the number, size, and shape of individual SGs was obtained. We found that cell volume was correlated with SG number. In summary, the technique provides valuable and unique data, and will therefore advance SG research. PMID:26997316

  11. Understanding the structure of skill through a detailed analysis of Individuals' performance on the Space Fortress game.

    PubMed

    Towne, Tyler J; Boot, Walter R; Ericsson, K Anders

    2016-09-01

    In this paper we describe a novel approach to the study of individual differences in acquired skilled performance in complex laboratory tasks based on an extension of the methodology of the expert-performance approach (Ericsson & Smith, 1991) to shorter periods of training and practice. In contrast to more traditional approaches that study the average performance of groups of participants, we explored detailed behavioral changes for individual participants across their development on the Space Fortress game. We focused on dramatic individual differences in learning and skill acquisition at the individual level by analyzing the archival game data of several interesting players to uncover the specific structure of their acquired skill. Our analysis revealed that even after maximal values for game-generated subscores were reached, the most skilled participant's behaviors such as his flight path, missile firing, and mine handling continued to be refined and improved (Participant 17 from Boot et al., 2010). We contrasted this participant's behavior with the behavior of several other participants and found striking differences in the structure of their performance, which calls into question the appropriateness of averaging their data. For example, some participants engaged in different control strategies such as "world wrapping" or maintaining a finely-tuned circular flight path around the fortress (in contrast to Participant 17's angular flight path). In light of these differences, we raise fundamental questions about how skill acquisition for individual participants should be studied and described. Our data suggest that a detailed analysis of individuals' data is an essential step for generating a general theory of skill acquisition that explains improvement at the group and individual levels. PMID:27214790

  12. Fabrication and Characterization of Graded Cu-Doped Be Shells - Details and Documentation of Our First Attempt

    SciTech Connect

    Gunther, J; McElfresh, M; Alford, C; Huang, H; Cook, R

    2004-10-08

    We have fabricated by sputtering and characterized a set of step-graded Cu-doped Be capsules. The capsules were made with Cu doped layers of about 0.35 and 0.70 atom % Cu. The total thickness of the coating is about 100 {micro}m. Capsules were removed from the coater for characterization after each layer was deposited. Our ability to produce doped layers is confirmed, and our ability to control the level of doping is excellent. A variety of characterization techniques, both destructive and non-destructive were explored. The surface finish of the sample capsules removed after each layer progressively got rougher, it is likely that polishing will be necessary to produce capsules that will meet surface specifications. We have learned a great deal from this first effort, both in terms of coating technology and capsule characterization. We are now implementing several changes in the coating system based in part upon our experience with this first effort. The next graded capsule run should begin near the end of October.

  13. The Details of Glycolipid Glycan Hydrolysis by the Structural Analysis of a Family 123 Glycoside Hydrolase from Clostridium perfringens.

    PubMed

    Noach, Ilit; Pluvinage, Benjamin; Laurie, Cassandra; Abe, Kento T; Alteen, Matthew G; Vocadlo, David J; Boraston, Alisdair B

    2016-08-14

    Clostridium perfringens is an opportunistic pathogen of humans and animals whose genome encodes a wide variety of putative carbohydrate-hydrolyzing enzymes that are increasingly being shown to be directed toward the cleavage of host glycans. Among these putative enzymes is a member of glycoside hydrolase family 123. Here we show that the recombinant enzyme (referred to as CpNga123) encoded by the gene cloned from C. perfringens strain ATCC 13124 (locus tag CPF_1473) is a β-N-acetylgalactosaminidase, similar to NgaP from Paenibacillus sp. TS12. Like NgaP, CpNga123 was able to cleave the terminal β-D-GalNAc-(1→4)-D-Gal and β-D-GalNAc-(1→3)-D-Gal motifs that would be found in glycosphigolipids. The X-ray crystal structure of CpNga123 revealed it to have an N-terminal β-sandwich domain and a (β/α)8-barrel catalytic domain with a C-terminal α-helical elaboration. The structures determined in complex with reaction products provide details of the -1 subsite architecture, catalytic residues, and a structural change in the active site that is likely required to enable hydrolysis of the glycosidic bond by promoting engagement of the substrate by the catalytic residues. The features of the active site support the likelihood of a substrate-assisted catalytic mechanism for this enzyme. The structures of an inactive mutant of CpNga123 in complex with intact GA2 and Gb4 glycosphingolipid motifs reveal insight into aglycon recognition and suggest that the kinked or pleated conformation of GA2 caused by the β-1,4-linkage between N-acetylgalactosamine and galactose, and the accommodation of this conformation by the enzyme active site, may be responsible for greater activity on GA2. PMID:27038508

  14. Characterization of adhesive from oysters: A structural and compositional study

    NASA Astrophysics Data System (ADS)

    Alberts, Erik

    The inability for man-made adhesives to set in wet or humid environments is an ongoing challenging the design of biomedical and marine adhesive materials. However, we see that nature has already overcome this challenge. Mussels, barnacles, oysters and sandcastle worms all have unique mechanisms by which they attach themselves to surfaces. By understanding what evolution has already spent millions of years perfecting, we can design novel adhesive materials inspired by nature's elegant designs. The well-studied mussel is currently the standard for design of marine inspired biomimetic polymers. In the work presented here, we aim to provide new insights into the adhesive produced by the eastern oyster, Crassostrea virginica. Unlike the mussel, which produces thread-like plaques comprised of DOPA containing-protein, the oyster secretes an organic-inorganic hybrid adhesive as it settles and grows onto a surface. This form of adhesion renders the oyster to be permanently fixed in place. Over time, hundreds of thousands of oyster grow and agglomerate to form extensive reef structures. These reefs are not only essential to survival of the oyster, but are also vital to intertidal ecosystems. While the shell of the oyster has been extensively studied, curiously, only a few conflicting insights have been made into the nature of the adhesive and contact zone between shell and substrate, and even lesfs information has been ascertained on organic and inorganic composition. In this work, we provide microscopy and histochemical studies to characterize the structure and composition of the adhesive, using oyster in the adult and juvenile stages of life. Preliminary work on extracting and characterizing organic components through collaborative help with solid-state NMR (SSNMR) and proteomics are also detailed here. We aim to provide a full, comprehensive characterization of oyster adhesive so that in the future, we may apply what we learn to the design of new materials.

  15. Structural characterization of allomelanin from black oat.

    PubMed

    Varga, Mónika; Berkesi, Ottó; Darula, Zsuzsanna; May, Nóra Veronika; Palágyi, András

    2016-10-01

    The brown to black coloration found in plants is due to the melanins, which have been relatively poorly investigated among the plant pigments. The aim of this work was to study the dark pigment extracted from the black oat hull with respect to composition and structure. Ultraviolet-visible (UV-Vis) spectroscopy, electron paramagnetic resonance (EPR) spectroscopy, matrix-assisted laser desorption/ionization-time of flight mass spectrometry (MALDI-TOF MS) and Fourier transform infrared (FT-IR) spectroscopy were applied for the characterization of the pigment. UV-Vis spectroscopy revealed that the extracted material displays a broadband, structureless absorption profile a common feature of melanins. MALDI-TOF MS measurements demonstrated that oat melanin is a homopolymer built up from p-coumaric acid and consists mainly of low molecular weight (527-1499 Da) oligomers of 3-9 monomer units. The tetramer oligomer proved to be dominant. The results of the FT-IR analysis indicated that oat melanin is a fully conjugated aromatic system containing tetrasubstituted aromatic rings linked by CC coupling. The in vitro preparation of melanin from p-coumaric acid by horseradish peroxidase was performed for comparison. The resulting polymer consisted of oligomers of 4-9 monomer units similarly to those in oat melanin. However, the building blocks proved to be connected to each other via COC linkages in contrast with the CC linkages in oat melanin. PMID:27427433

  16. Structural and spectroscopic characterization of mixed planetary ices.

    PubMed

    Plattner, Nuria; Lee, Myung Won; Meuwly, Markus

    2010-01-01

    Mixed ices play a central role in characterizing the origin, evolution, stability and chemistry of planetary ice surfaces. Examples include the polar areas of Mars, the crust of the Jupiter moon Europa, or atmospheres of planets and their satellites, particularly in the outer solar system. Atomistic simulations using accurate representations of the interaction potentials have recently shown to be suitable to quantitatively describe both, the mid- and the far-infrared spectrum of mixed H2O/CO amorphous ices. In this work, molecular dynamics simulations are used to investigate structural and spectroscopic properties of mixed and crystalline ices containing H2O, CO and CO2. Particular findings include: (a) the sensitivity of the water bending mode to the local environment of the water molecules which, together with structural insights from MD simulations, provides a detailed picture for the relationship between spectroscopy and structure; and (b) the sensitivity of the low-frequency spectrum to the structure of the mixed CO2/H2O ice. Specifically, for mixed H2O/CO2 ices with low water contents isolated water molecules are found which give rise to a band shifted by only 12 cm(-1) from the gas-phase value whereas for increasing water concentration (for a 1 : 1 mixture) the band progressively shifts to higher frequency because water clusters can form. More generally it is found that changes in the ice structure due to the presence of CO2 are larger compared to changes induced by the presence of CO and that this difference is reflected in the shape of the water bending vibration. Thus, the water bending vibration appears to be a suitable diagnostic for structural and chemical aspects of mixed ices. PMID:21302549

  17. Dynamism & Detail

    ERIC Educational Resources Information Center

    Flannery, Maura C.

    2004-01-01

    New material discovered in the study of cell research is presented for the benefit of biology teachers. Huge amounts of data are being generated in fields like cellular dynamics, and it is felt that people's understanding of the cell is becoming much more complex and detailed.

  18. Deep sequencing analysis of viral infection and evolution allows rapid and detailed characterization of viral mutant spectrum

    PubMed Central

    Isakov, Ofer; Bordería, Antonio V.; Golan, David; Hamenahem, Amir; Celniker, Gershon; Yoffe, Liron; Blanc, Hervé; Vignuzzi, Marco; Shomron, Noam

    2015-01-01

    Motivation: The study of RNA virus populations is a challenging task. Each population of RNA virus is composed of a collection of different, yet related genomes often referred to as mutant spectra or quasispecies. Virologists using deep sequencing technologies face major obstacles when studying virus population dynamics, both experimentally and in natural settings due to the relatively high error rates of these technologies and the lack of high performance pipelines. In order to overcome these hurdles we developed a computational pipeline, termed ViVan (Viral Variance Analysis). ViVan is a complete pipeline facilitating the identification, characterization and comparison of sequence variance in deep sequenced virus populations. Results: Applying ViVan on deep sequenced data obtained from samples that were previously characterized by more classical approaches, we uncovered novel and potentially crucial aspects of virus populations. With our experimental work, we illustrate how ViVan can be used for studies ranging from the more practical, detection of resistant mutations and effects of antiviral treatments, to the more theoretical temporal characterization of the population in evolutionary studies. Availability and implementation: Freely available on the web at http://www.vivanbioinfo.org Contact: nshomron@post.tau.ac.il Supplementary information: Supplementary data are available at Bioinformatics online. PMID:25701575

  19. Detailed Decomposition of Galaxy Images II: Fitting Spiral Arms, Bars, and Non-axisymmetric Structures in GALFIT 3.0

    NASA Astrophysics Data System (ADS)

    Peng, Chien Y.; Ho, L. C.; Impey, C. D.; Rix, H. W.

    2007-12-01

    The technique of fitting galaxy light profiles with analytic functions (e.g. de Vaucouleurs, exponential), also known as parametric fitting, has been a useful tool for studying galaxy structure and evolution. It is often used to quantify global properties of galaxies such as luminosity, size, ellipticity, and profile shape in a self-consistent manner. It also allows one to deblend multiple components of a galaxy, e.g. bulge/disk/bar/AGN, or to separate overlapping galaxies in a rigorous and robust way. However, the traditional method of fitting galaxies relies on using ellipsoid models, which is sometimes criticized to argue in favor of non-parametric techniques. In this study, we show that two dimensional image fitting is not fundamentally restricted to using axisymmetric ellipsoid shapes. By breaking from axisymmetry parametrically through the use of Fourier modes, one can better quantify the degree of galaxy irregularity in an intuitive and well-motivated manner. We also introduce a technique that allows one to fit spiral structures in late-type galaxies through the use of coordinate rotation. By comparing with more realistic models now possible, we find that the traditional use of simple ellipsoid models is robust even on irregular and spiral galaxies, because single component fits are by nature large scale averages. However, when it comes to quantifying sub-components of a galaxy, sometimes it is necessary to model structures in detail, such as when performing bulge-to-disk decomposition of galaxies with strong spiral arms, or quantifying the symmetry due to bright (e.g. bulge) and faint (e.g. disk) galaxy sub-components separately. These new techniques are implemented in GALFIT 3.0 (http://www.ociw.edu/ peng/work/galfit/galfit.html ). CYP gratefully acknowledges support from the Plaskett Fellowship (NRC-HIA) and the Institute/Giacconi Fellowship (STScI) programs.

  20. Statistical characterization of phenolic-novolak structures

    NASA Technical Reports Server (NTRS)

    Parker, J. A.; Winkler, E. L.

    1971-01-01

    Three statistical methods of general validity are valuable for characterizing any polymer which results from chain polymerization of multifunctional branching monomers linked through bifunctional monomers.

  1. Structural Characterization of Nanoporous Pmssq Thin Films

    NASA Astrophysics Data System (ADS)

    Briber, R. M.; Yang, G. Y.; Huang, E.; Kim, H. C.; Rice, P. M.; Volksen, W.; Miller, R. D.; Shin, K.

    2002-03-01

    The semiconductor industry roadmap requires the next generation of interlayer dielectric materials to have a dielectric constant k below 2.0 and thermal stability to 500 ^oC. Porous Dielectrics are an attractive route to obtain such materials. One potential system is polymethylsilsesquioxane (PMSSQ) with nanometer sized pores templated by the incorporation of a thermally degradable polymer. Film were prepared by dissolving the matrix precursor materials (MSSQ oligomer mixture) and porogen (PMMA-co-DMAEMA) as a template for creating the pores in a common solvent (propylene glycol methyl ether) and spin casting onto a silicon single crystal substrate. The film is subjected to an initial heat treatment in nitrogen at 225^oC to cure the matrix (i.e. polymerize and cross-link) and then a second heat treatment to 375 450^oC to degrade the porogen to form the pores. The pore evolution and characterization are performed using small angle neutron scattering (SANS), transmission electron microscopy (TEM) and neutron reflectivity (NR). In-situ SANS experiments revealed that the pores evolution follows a process of phase separation and burnout of the porogen copolymer. TEM observation shows that pore size, morphology and spatial distribution depend on the concentration of porogen in the original hybrid material. Average pore size increases as a function of porogen concentration. Porous morphology changes from isolated pores at low porogen concentration (<10 wt. %) to fully interconnected pores at higher porogen concentration (>40 wt. %). Percolation threshold is located at 30 wt. % porogen content. Neutron reflectivity is used to study the pore structure and distribution normal to the film thickness.

  2. Structural and magnetic characterization of actinide materials

    SciTech Connect

    Cort, B.; Allen, T.H.; Lawson, A.C.

    1998-12-31

    This is the final report of a three-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). The authors have successfully used neutron scattering techniques to investigate physicochemical properties of elements, compounds, and alloys of the light actinides. The focus of this work is to extend the fundamental research capability and to address questions of practical importance to stockpile integrity and long-term storage of nuclear material. Specific subject areas are developing neutron diffraction techniques for smaller actinide samples; modeling of inelastic scattering data for actinide metal hydrides; characterizing actinide oxide structures; and investigating aging effects in actinides. These studies utilize neutron scattering supported by equilibrium studies, kinetics, and x-ray diffraction. Major accomplishments include (1) development of encapsulation techniques for small actinide samples and neutron diffraction studies of AmD{sub 2.4} and PuO{sub 2.3}; (2) refinement of lattice dynamics model to elucidate hydrogen-hydrogen and hydrogen-metal interactions in rare-earth and actinide hydrides; (3) kinetic studies with PuO{sub 2} indicating that the recombination reaction is faster than radiolytic decomposition of adsorbed water but a chemical reaction produces H{sub 2}; (4) PVT studies of the reaction between PuO{sub 2} and water demonstrate that PuO{sub 2+x} and H{sub 2} form and that PuO{sub 2} is not the thermodynamically stable form of the oxide in air; and (5) model calculations of helium in growth in aged plutonium predicting bubble formation only at grain boundaries at room temperature. The work performed in this project has application to fundamental properties of actinides, aging, and long-term storage of plutonium.

  3. Structural characterization of soy protein nanoparticles from high shear microfluidization

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Soy protein nanoparticles were produced with a microfluidizer and characterized in terms of particle size, size distribution, morphology, rheological properties, and aggregate structure. Three stages of structure breakdown were observed when the soy protein dispersion was passed through the microflu...

  4. Functional and Structural Details about the Fabella: What the Important Stabilizer Looks Like in the Central European Population

    PubMed Central

    Hauser, Nicole Helene; Hoechel, Sebastian; Toranelli, Mireille; Klaws, Joerg; Müller-Gerbl, Magdalena

    2015-01-01

    The posterolateral corner of the knee accommodating the fabella complex is of importance in orthopaedic surgery. Unfortunately, there is a lack of data in literature for clinical routine. Therefore, we investigated the fabella's characteristics, biomechanical nature, and present histologic details. Of special interest were the fabella's occurrence and position, calcium concentration as long-term load intake indicator, and the histology. Within our analysis, fabellae were found in 30.0% of all datasets, located on the upper part of the posterolateral femoral condyle. The region of fabella contact on this condyle showed a significantly lower calcium concentration than its surroundings. Histologically, the fabella showed no articular cartilage but a clearly distinguishable fabellofibular ligament that consisted of two bundles: one, as already described in literature inserted at the fibular tip, and another part newly described on the top of the lateral meniscus. In its role of stabilizing the soft tissue structures of the posterolateral knee, the fabella seems to serve as suspension for the ligaments evolving from its base. Even though a joint formation of any kind is unlikely, the presence of a fabella needs to be kept in mind during knee examination and any surgical procedures. PMID:26413516

  5. LASER BIOLOGY AND MEDICINE: Visualisation of details of a complicated inner structure of model objects by the method of diffusion optical tomography

    NASA Astrophysics Data System (ADS)

    Tret'yakov, Evgeniy V.; Shuvalov, Vladimir V.; Shutov, I. V.

    2002-11-01

    An approximate algorithm is tested for solving the problem of diffusion optical tomography in experiments on the visualisation of details of the inner structure of strongly scattering model objects containing scattering and semitransparent inclusions, as well as absorbing inclusions located inside other optical inhomogeneities. The stability of the algorithm to errors is demonstrated, which allows its use for a rapid (2 — 3 min) image reconstruction of the details of objects with a complicated inner structure.

  6. Detailed structures of the subducted Philippine Sea Plate beneath northeast Taiwan: A new type of double seismic zone

    NASA Astrophysics Data System (ADS)

    Kao, Honn; Rau, Ruey-Juin

    1999-01-01

    We studied the detailed structure of the subducted Philippine Sea plate beneath northeast Taiwan where oblique subduction, regional collision, and back arc opening are all actively occurring. Simultaneous inversion for velocity structure and earthquake hypocenters are performed using the vast, high-quality data recorded by the Taiwan Seismic Network. We further supplement the inversion results with earthquake source parameters determined from inversion of teleseismic P and SH waveforms, a critical step to define the position of plate interface and the state of strain within the subducted slab. The most interesting feature is that relocated hypocenters tend to occur along a two-layered structure. The upper layer is located immediately below the plate interface and extends down to 70-80 km at a dip of 40°-50°. Below approximately 100 km, the dip increases dramatically to 70°-80°. The lower layer commences at 45-50 km and stays approximately parallel to the upper layer with a separation of 15±5 km in between down to 70-80 km. Below that the separation decreases and the two layers seem to gradually merge into one Wadati-Benioff Zone. We propose to term the classic double seismic zones observed beneath Japan and Kuril as "type I" and that we observed as "type II," respectively. A global survey indicates that type II double seismic zones are also observed in New Zealand near the southernmost North Island, Cascadia, just north of the Mendocino triple junction, and the Cook Inlet area of Alaska. All of them are located near the termini of subducted slabs in a tectonic setting of oblique subduction. We interpret the seismogenesis of type II double seismic zones as reflecting the lateral compressive stress between the subducted plate and the adjacent lithosphere (originating from oblique subduction) and the downdip extension (from slab pulling force). The upper seismic layer represents seismicity occurring in the upper crust of a subducted plate and/or along the plate

  7. On the structure and dynamics of Ellerman bombs. Detailed study of three events and modelling of Hα

    NASA Astrophysics Data System (ADS)

    Bello González, N.; Danilovic, S.; Kneer, F.

    2013-09-01

    Aims: We study the structure and dynamics of three Ellerman bombs (EBs) observed in an evolving active region. Methods: The active region NOAA 11271 was observed with the Vacuum Tower Telescope at Observatorio del Teide/Tenerife on August 18, 2011. We used the two-dimensional Triple Etalon SOlar Spectrometer (TESOS) to obtain time sequences of the active region and of EBs in Hα at a cadence of 15 s. Simultaneously, we obtained full Stokes profiles with the Tenerife Infrared Polarimeter (TIP II) in the two magnetically sensitive Fe i infrared lines (IR) at 1.56 μ, scanning spatial sections of the area with cadences of 28-46 s. The Hα data were reconstructed with speckle methods to study the evolution of the atmospheric stratification. Two methods were used to extract magnetic field information from the IR Stokes profiles: 1) fitting of the (Q,U,V) profiles by Gaussians; and 2) applying the Milne-Eddington approximation, assuming two separate magnetic structures in the resolution element and fitting by trial and error some profiles from the EB areas. Data from SDO-HMI and -AIA were also used. We performed two-dimensional (2D) non-LTE radiative transfer calculations of Hα in parameterised models of EBs. Results: The three EBs studied in detail occurred in a complex active region near sunspots. They were very bright with a factor of 1.5-2.8 brighter than the nearby area. They lived for 1/2 h and longer. They were related to broadband faculae, but the latter were not the brightest features in the field of view. The EBs occurred in magnetic field configurations with opposite polarity close together. One EB was located at the outskirts of a penumbra of a complex sunspot and showed repeated "flaring" in SDO-AIA data. Another was close to a strong field patch and moved into this during the end of its lifetime. The third EB showed clear changes of field structure during the time it was observed. We obtained from the 2D modelling that heating and increase in Hα opacity

  8. Crump Geyser Exploration and Drilling Project. High Precision Geophysics and Detailed Structural Exploration and Slim Well Drilling

    SciTech Connect

    Fairbank, Brian D.; Smith, Nicole

    2015-06-10

    The Crump Geyser Exploration and Drilling Project – High Precision Geophysics and Detailed Structural Exploration and Slim Well Drilling ran from January 29, 2010 to September 30, 2013. During Phase 1 of the project, collection of all geophysical surveys was completed as outlined in the Statement of Project Objectives. In addition, a 5000-foot full sized exploration well was drilled by Ormat, and preexisting drilling data was discovered for multiple temperature gradient wells within the project area. Three dimensional modeling and interpretation of results from the geophysical surveys and drilling data gave confidence to move to the project into Phase 2 drilling. Geological and geophysical survey interpretations combined with existing downhole temperature data provided an ideal target for the first slim-hole drilled as the first task in Phase 2. Slim-hole 35-34 was drilled in September 2011 and tested temperature, lithology, and permeability along the primary range-bounding fault zone near its intersection with buried northwest-trending faults that have been identified using geophysical methods. Following analysis of the results of the first slim-hole 35-34, the second slim hole was not drilled and subsequent project tasks, including flowing differential self-potential (FDSP) surveys that were designed to detail the affect of production and injection on water flow in the shallow aquifer, were not completed. NGP sold the Crump project to Ormat in August 2014, afterwards, there was insufficient time and interest from Ormat available to complete the project objectives. NGP was unable to continue managing the award for a project they did not own due to liability issues and Novation of the award was not a viable option due to federal award timelines. NGP submitted a request to mutually terminate the award on February 18, 2015. The results of all of the technical surveys and drilling are included in this report. Fault interpretations from surface geology, aeromag

  9. Academic detailing.

    PubMed

    Shankar, P R; Jha, N; Piryani, R M; Bajracharya, O; Shrestha, R; Thapa, H S

    2010-01-01

    There are a number of sources available to prescribers to stay up to date about medicines. Prescribers in rural areas in developing countries however, may not able to access some of them. Interventions to improve prescribing can be educational, managerial, and regulatory or use a mix of strategies. Detailing by the pharmaceutical industry is widespread. Academic detailing (AD) has been classically seen as a form of continuing medical education in which a trained health professional such as a physician or pharmacist visits physicians in their offices to provide evidence-based information. Face-to-face sessions, preferably on an individual basis, clear educational and behavioural objectives, establishing credibility with respect to objectivity, stimulating physician interaction, use of concise graphic educational materials, highlighting key messages, and when possible, providing positive reinforcement of improved practices in follow-up visits can increase success of AD initiatives. AD is common in developed countries and certain examples have been cited in this review. In developing countries the authors have come across reports of AD in Pakistan, Sudan, Argentina and Uruguay, Bihar state in India, Zambia, Cuba, Indonesia and Mexico. AD had a consistent, small but potentially significant impact on prescribing practices. AD has much less resources at its command compared to the efforts by the industry. Steps have to be taken to formally start AD in Nepal and there may be specific hindering factors similar to those in other developing nations. PMID:21209521

  10. Structural characterization of human Uch37

    SciTech Connect

    Burgie, E. Sethe; Bingman, Craig A.; Soni, Ameet B.; Phillips, Jr., George N.

    2012-06-28

    Uch37 is a deubiquitylating enzyme (DUB) that is functionally linked with multiple protein complexes and signal transduction pathways. Uch37 associates with the 26S proteasome through Rpn13 where it serves to remove distal ubiquitin moeities from polyubiquitylated proteins. Uch37's proteasome associated activity was shown to liberate proteins from destruction. However, Uch37 may also specifically facilitate the destruction of inducible nitric oxide synthase and I{kappa}B-{alpha} at the proteasome. Wicks et al. established Uch37's potential to modulate the transforming growth factor-{beta}(TGF-{beta}) signaling cascade, through tis interaction with SMAD7. Yao et al. demonstrated that Uch37 also associates with the Ino80 chromatin-remodeling complex (Ino80 complex), which is involved in DNA repair and transcriptional regulation. Uch37's importance in metazoan development was underscored recently as Uch37 knockouts in mice result in prenatal lethality, where mutant embryos had severe defects in brain development. Protein ubiquitylation is an ATP-dependent post-translational modification that serves to signal a wide variety of cellular processes in eukaryotes. A protein cascade, generally comprising three enzymes, functions to activate, transport and specifically transfer ubiquitin to the targeted protein, culminating in an isopeptide linkage between the {epsilon}-amino group of a target protein's lysysl residue and the ubiquitin's terminal carboxylate. Monoubiquitination plays an important role in histone regulation, endocytosis, and viral budding. Further processing of the target protein may be accomplished by ubiquitylation of the protein on a different lysine, or through the formation of polyubiquitin chains, where the best-characterized outcome is destruction of the polyubiquitin-labeled protein in the proteasome. DUBs catalyze the removal of ubiquitin from proteins. This activity serves to reverse the effects of ubiquitination, permit ubiquitin recycling, or

  11. A detailed perceptive on the growth and characterization studies of para amino hippuric acid (PAHA) single crystals

    NASA Astrophysics Data System (ADS)

    Sathesh Kumar, K.; Srinivasan, P.; Mahadevan Pillai, V. P.

    2014-11-01

    Single crystals of para amino hippuric acid (PAHA) were grown by slow evaporation technique. The spectral and its structural properties of the crystals were studied by FT-IR, micro-Raman and factor group analysis. The optical transparency in the UV-Visible regions was found to be good for non-linear optics (NLO) applications. Thermogravimetric analysis (TGA) and Differential Thermal Analysis (DTA) showed that the compound decomposes beyond 300 °C. The dielectric behavior of the compound predicts low dielectric loss at high frequency applied whereas in the case of mechanical behavior of the specimen hardness increases with increasing applied load. After certain weight increase, hardness gets saturated in the region of ⩾110. Relative second harmonic efficiency of the compound is found to be 1.8 times greater than that of potassium di-phosphate reference.

  12. Detailed characterization of current North American portland cements and clinkers and the implications for the durability of modern concrete

    NASA Astrophysics Data System (ADS)

    Arjunan, P.

    The current study has been undertaken with a view to rationalize the relation between the cement characteristics and concrete properties with the fresh set of data collected from the North American portland cements. The important chemical and physical characteristics of the cement discussed are (a) chemical analysis, (b) phase calculations, (c) various particle characterizations and (d) rheological properties. The important concrete properties discussed are (a) alkali silica reactivity, (b) sulfate attack, (c) delayed ettringite formation (d) chloride ion permeability and (e) compressive strength. Relationship between the cement characteristics and concrete durability was determined using regression methods. The heat of hydration was mainly influenced by the variation in C 3A, SO3, equivalent Na2O contents, and fineness of portland cements. When there was no variation in C3A, SO 3, and fineness, the hydration kinetics of the cement was mainly controlled by the silicate phase hydration. The 7-day hydration was negatively correlated to C2S or C4AF content. As the C2S or C 4AF content increased, the 7-day heat of hydration decreased. C 3S content showed a positive correlation to 1 and 7-day heats of hydration, but significant negative correlation to 14 and 28-day hydration. Equivalent alkalis showed a strong positive correlation to ASR at 2 weeks. SO3 content of portland cement also showed a positive correlation to ASR expansion. A strong negative correlation was observed between C4AF content of portland cement and sulfate attack expansion at 4 and 6 months of exposure. The correlation to sulfate attack was stronger when the ratios of C3A/C4AF were taken into account. C3A content exhibited a negative correlation to chloride ion permeability. This correlation decreased as the curing period increased. SO 3 content also exhibited a negative correlation to the chloride ion permeability. Only alkalis showed a strong negative correlation to the compressive strength after 3

  13. Detailed characterization and preliminary adsorption model for materials for an intermediate-scale reactive-transport experiment

    SciTech Connect

    Ward, D.B.; Bryan, C.R.; Siegel, M.D.

    1994-12-31

    An experiment involving migration of fluid and tracers (Li, Br, Ni) through a 6-m-high x 3-m-dia caisson Wedron 510 sand, is being carried out for Yucca Mountain Site Characterization Project. Sand`s surface chemistry of the sand was studied and a preliminary surface-complexation model of Ni adsorption formulated for transport calculations. XPS and leaching suggest that surface of the quartz sand is partially covered by thin layers of Fe-oxyhydroxide and Ca-Mg carbonate and by flakes of kaolinite. Ni adsorption by the sand is strongly pH-dependent, showing no adsorption at pH 5 and near-total adsorption at pH 7. Location of adsorption edge is independent of ionic strength and dissolved Ni concentration; it is shifted to slightly lower pH with higher pCO2 and to slightly higher pH by competition with Li. Diminished adsorption at alkiline pH with higher pCO2 implies formation of dissolved Ni-carbonato complexes. Ni adsorption edges for goethite and quartz, two components of the sand were also measured. Ni adsorption on pure quartz is only moderately pH-dependent and differs in shape and location from that of the sand, whereas Ni adsorption by goethite is strongly pH-dependent. A triple-layer surface-complexation model developed for goethite provides a good fit to the Ni-adsorption curve of the sand. Based on this model, the apparent surface area of the Fe-oxyhydroxide coating is estimated to be 560 m{sup 2}/g, compatible with its occurrence as amorphous Fe-oxyhydroxide. Potentiometric titrations on sand also differ from pure quartz and suggest that effective surface area of sand may be much greater than that measured by N{sub 2}-BET gas adsorption. Attempts to model the adsorption of bulk sand in terms of properties of pure end member components suggest that much of the sand surface is inert. Although the exact Ni adsorption mechanisms remain ambiguous, this preliminary adsorption model provides an initial set of parameters that can be used in transport calculations.

  14. Carbon nano structures: Production and characterization

    NASA Astrophysics Data System (ADS)

    Beig Agha, Rosa

    L'objectif de ce memoire est de preparer et de caracteriser des nanostructures de carbone (CNS -- Carbon Nanostructures, en licence a l'Institut de recherche sur l'hydrogene, Quebec, Canada), un carbone avec un plus grand degre de graphitisation et une meilleure porosite. Le Chapitre 1 est une description generale des PEMFCs (PEMFC -- Polymer Electrolyte Membrane Fuel Cell) et plus particulierement des CNS comme support de catalyseurs, leur synthese et purification. Le Chapitre 2 decrit plus en details la methode de synthese et la purification des CNS, la theorie de formation des nanostructures et les differentes techniques de caracterisation que nous avons utilises telles que la diffraction aux rayons-X (XRD -- X-ray diffraction), la microscopie electronique a transmission (TEM -- transmission electron microscope ), la spectroscopie Raman, les isothermes d'adsorption d'azote a 77 K (analyse BET, t-plot, DFT), l'intrusion au mercure, et l'analyse thermogravimetrique (TGA -- thermogravimetric analysis). Le Chapitre 3 presente les resultats obtenus a chaque etape de la synthese des CNS et avec des echantillons produits a l'aide d'un broyeur de type SPEXRTM (SPEX/CertiPrep 8000D) et d'un broyeur de type planetaire (Fritsch Pulverisette 5). La difference essentielle entre ces deux types de broyeur est la facon avec laquelle les materiaux sont broyes. Le broyeur de type SPEX secoue le creuset contenant les materiaux et des billes d'acier selon 3 axes produisant ainsi des impacts de tres grande energie. Le broyeur planetaire quant a lui fait tourner et deplace le creuset contenant les materiaux et des billes d'acier selon 2 axes (plan). Les materiaux sont donc broyes differemment et l'objectif est de voir si les CNS produits ont les memes structures et proprietes. Lors de nos travaux nous avons ete confrontes a un probleme majeur. Nous n'arrivions pas a reproduire les CNS dont la methode de synthese a originellement ete developpee dans les laboratoires de l'Institut de

  15. Characterizing monoclonal antibody structure by carboxyl group footprinting

    PubMed Central

    Kaur, Parminder; Tomechko, Sara E; Kiselar, Janna; Shi, Wuxian; Deperalta, Galahad; Wecksler, Aaron T; Gokulrangan, Giridharan; Ling, Victor; Chance, Mark R

    2015-01-01

    Structural characterization of proteins and their antigen complexes is essential to the development of new biologic-based medicines. Amino acid-specific covalent labeling (CL) is well suited to probe such structures, especially for cases that are difficult to examine by alternative means due to size, complexity, or instability. We present here a detailed account of carboxyl group labeling (with glycine ethyl ester (GEE) tagging) applied to a glycosylated monoclonal antibody therapeutic (mAb). The experiments were optimized to preserve the structural integrity of the mAb, and experimental conditions were varied and replicated to establish the reproducibility of the technique. Homology-based models were generated and used to compare the solvent accessibility of the labeled residues, which include aspartic acid (D), glutamic acid (E), and the C-terminus (i.e., the target probes), with the experimental data in order to understand the accuracy of the approach. Data from the mAb were compared to reactivity measures of several model peptides to explain observed variations in reactivity. Attenuation of reactivity in otherwise solvent accessible probes is documented as arising from the effects of positive charge or bond formation between adjacent amine and carboxyl groups, the latter accompanied by observed water loss. A comparison of results with previously published data by Deperalta et al using hydroxyl radical footprinting showed that 55% (32/58) of target residues were GEE labeled in this study whereas the previous study reported 21% of the targets were labeled. Although the number of target residues in GEE labeling is fewer, the two approaches provide complementary information. The results highlight advantages of this approach, such as the ease of use at the bench top, the linearity of the dose response plots at high levels of labeling, reproducibility of replicate experiments (<2% variation in modification extent), the similar reactivity of the three target probes

  16. Characterization of Vapor Deposited Nano Structured Membranes

    SciTech Connect

    Jankowski, A; Cherepy, N; Ferreira, J; Hayes, J

    2004-03-25

    The vapor deposition methods of planar magnetron sputtering and electron-beam evaporation are used to synthesize materials with nano structured morphological features that have ultra-high surface areas with continuous open porosity at the nano scale. These nano structured membranes are used in a variety of fuel cells to provide electrode and catalytic functions. Specifically, stand alone and composite nickel electrodes for use in thin film solid-oxide, and molten carbonate fuel cells are formed by sputter deposition and electron bean evaporation, respectively. Also, a potentially high-performance catalyst material for the direct reformation of hydrocarbon fuels at low temperatures is deposited as a nano structure by the reactive sputtering of a copper-zinc alloy using a partial pressure of oxygen at an elevated substrate temperature.

  17. Revealing Structural Details of SiCO Ceramics with GIPAW Calculations of Model Structures and Analysis of Experimental 29Si Nuclear Magnetic Resonance Spectroscopy

    NASA Astrophysics Data System (ADS)

    Nimmo, John; Kroll, Peter

    2015-03-01

    The occurrence of the various SiCxO4-x (1 <=x <=4) mixed tetrahedra in silicon oxycarbide (SiCO) is often quantified by means of experimental 29Si nuclear magnetic resonance. The structural centers are assigned to individual peaks in the spectrum, which can be integrated to give the relative populations. Using a recently-developed method, we show that is is also possible to recover information on the connectivity of these tetrahedra. By combining a huge library of model structures an GIPAW calculations, we show that simple relations exist between the Si-O-Si linking angles and the 29Si NMR chemical shift. In this work, we perform detailed analyses of SiCO 29Si NMR spectra available in literature. We extract angular distributions in agreement with the experimental X-ray and neutron diffraction data. Furthermore, in glasses with large amounts of so-called ``free'' carbon, we observe a significant portion of the {Si}O4 tetrahedra which have disproportionately large angles. These angles indicate the presence of internal SiO2 surfaces or cages-like voids, similar to those found in zeolites or clathrates. This analysis suggests that in SiCO, the ``free'' carbon is incorporated into these voids, which produces strain on the bonding angles of the surrounding host glass.

  18. Characterization of structural connections for multicomponent systems

    NASA Technical Reports Server (NTRS)

    Lawrence, Charles; Huckelbridge, Arthur A.

    1988-01-01

    This study explores combining Component Mode Synthesis methods for coupling structural components with Parameter Identification procedures for improving the analytical modeling of the connections. Improvements in the connection stiffness and damping properties are computed in terms of physical parameters so that the physical characteristics of the connections can be better understood, in addition to providing improved input for the system model.

  19. Structural characterization of alpha-zein.

    PubMed

    Momany, Frank A; Sessa, David J; Lawton, John W; Selling, Gordon W; Hamaker, Sharon A H; Willett, Julious L

    2006-01-25

    A variety of published physical measurements, computational algorithms, and structural modeling methods have been used to create a molecular model of 19 kDa alpha-zein (Z19). Zetaeins are water-insoluble storage proteins found in corn protein bodies. Analyses of the protein sequence using probability algorithms, structural studies by circular dichroism, infrared spectroscopy, small-angle X-ray scattering (SAXS), light scattering, proton exchange, NMR, and optical rotatory dispersion experiments suggest that Z19 has approximately 35-60% helical character, made up of nine helical segments of about 20 amino acids with glutamine-rich "turns" or "loops". SAXS and light-scattering experiments suggest that in alcohol/water mixtures alpha-zein exists as an oblong structure with an axial ratio of approximately 6:1. Furthermore, ultracentifugation, birefringence, dielectric, and viscosity studies indicate that alpha-zein behaves as an asymmetric particle with an axial ratio of from 7:1 to 28:1. Published models of alpha-zein to date have not been consistent with the experimental data, and for this reason the structure was re-examined using molecular mechanics and dynamics simulations creating a new three-dimensional (3D) structure for Z19. From the amino acid sequence and probability algorithms this analysis suggested that alpha-zein has coiled-coil tendencies resulting in alpha-helices with about four residues per turn in the central helical sections with the nonpolar residue side chains forming a hydrophobic face inside a triple superhelix. The nine helical segments of the 19 kDa protein were modeled into three sets of three interacting coiled-coil helices with segments positioned end to end. The resulting structure lengthens with the addition of the N- and C-terminal sections, to give an axial ratio of approximately 6 or 7:1 in agreement with recent experiments. The natural carotenoid, lutein, is found to fit into the core of the triple-helical segments and help stabilize

  20. Large space structures control algorithm characterization

    NASA Technical Reports Server (NTRS)

    Fogel, E.

    1983-01-01

    Feedback control algorithms are developed for sensor/actuator pairs on large space systems. These algorithms have been sized in terms of (1) floating point operation (FLOP) demands; (2) storage for variables; and (3) input/output data flow. FLOP sizing (per control cycle) was done as a function of the number of control states and the number of sensor/actuator pairs. Storage for variables and I/O sizing was done for specific structure examples.

  1. Identification and Structural Characterization of an Intermediate in the Folding of the Measles Virus X Domain.

    PubMed

    Bonetti, Daniela; Camilloni, Carlo; Visconti, Lorenzo; Longhi, Sonia; Brunori, Maurizio; Vendruscolo, Michele; Gianni, Stefano

    2016-05-13

    Although most proteins fold by populating intermediates, the transient nature of such states makes it difficult to characterize their structures. In this work we identified and characterized the structure of an intermediate of the X domain of phosphoprotein (P) of measles virus. We obtained this result by a combination of equilibrium and kinetic measurements and NMR chemical shifts used as structural restraints in replica-averaged metadynamics simulations. The structure of the intermediate was then validated by rationally designing four mutational variants predicted to affect the stability of this state. These results provide a detailed view of an intermediate state and illustrate the opportunities offered by a synergistic use of experimental and computational methods to describe non-native states at atomic resolution. PMID:27002146

  2. Structural characterization of carangid fish myoglobins.

    PubMed

    Hasan, Muhammad Mehedi; Watabe, Shugo; Ochiai, Yoshihiro

    2012-10-01

    The primary structures of myoglobin (Mb) from the following five carangid species were determined: yellowtail Seriola quinqueradiata, greater amberjack Seriola dumerili, yellowtail kingfish Seriola lalandi, Japanese horse mackerel Trachurus japonicus, and silver trevally Pseudocaranx dentex. The sequences were of varying composition both in the coding and in the noncoding regions, but all contained the open reading frame of 444 nucleotides encoding 147 amino acids. Amino acid sequence identities of carangid Mbs were in the range of 81-99%. The similarity of the heme pocket and associated heme-binding residues of carangid Mbs were evidence of the conservative nature of Mbs. Similar to the other teleost Mbs, carangid Mbs did not contain a D helix and had mostly conserved A and E helices as well as E-F and G-H inter-helical segments. Hydropathy profiles of carangid Mbs showed species-specific variations where silver trevally Mb exhibited generally higher hydrophobicity. Phylogenetic analysis based on the primary structures was in agreement with conventional morphological taxonomy, establishing close proximity of carangid Mbs with those of cichlid and scombroid, the other members of the Perciformes order. PMID:22361749

  3. Characterizing the spatial structure of songbird cultures.

    PubMed

    Laiolo, Paola

    2008-10-01

    Recent advances have shown that human-driven habitat transformations can affect the cultural attributes of animal populations in addition to their genetic integrity and dynamics. Here I propose using the song of oscine birds for identifying the cultural spatial structure of bird populations and highlighting critical thresholds associated with habitat fragmentation. I studied song variation over a wide geographical scale in a small and endangered passerine, the Dupont's Lark Chersophilus duponti, focusing on (1) cultural population structure, to determine a statistical representation of spatial variation in song and identify cultural units, and (2) the minimum patch size needed for an individual to develop a stable repertoire. I found that overall song diversity depends on variation among populations (beta-cultural diversity). Abrupt thresholds occurred in the relationships between individual song dissimilarity and geographic distance, and between individual song diversity and patch area. Spatial autocorrelation analysis showed that populations located as little as 5 km apart may have independently evolved their song traditions. Song diversity stabilized in patches as small as 100 ha supporting as few as 8-20 males. Song repertoires of smaller patches were significantly poorer. Almost one-quarter of the study populations inhabited patches <100 ha, and their cultural traditions appear to have eroded. The analysis of spatial patterns in birdsong may be a useful tool for detecting subpopulations prone to extinction. PMID:18839771

  4. Structural Characterization of Methanol Substituted Lanthanum Halides

    PubMed Central

    Boyle, Timothy J.; Ottley, Leigh Anna M.; Alam, Todd M.; Rodriguez, Mark A.; Yang, Pin; Mcintyre, Sarah K.

    2010-01-01

    The first study into the alcohol solvation of lanthanum halide [LaX3] derivatives as a means to lower the processing temperature for the production of the LaBr3 scintillators was undertaken using methanol (MeOH). Initially the de-hydration of {[La(µ-Br)(H2O)7](Br)2}2 (1) was investigated through the simple room temperature dissolution of 1 in MeOH. The mixed solvate monomeric [La(H2O)7(MeOH)2](Br)3 (2) compound was isolated where the La metal center retains its original 9-coordination through the binding of two additional MeOH solvents but necessitates the transfer of the innersphere Br to the outersphere. In an attempt to in situ dry the reaction mixture of 1 in MeOH over CaH2, crystals of [Ca(MeOH)6](Br)2 (3) were isolated. Compound 1 dissolved in MeOH at reflux temperatures led to the isolation of an unusual arrangement identified as the salt derivative {[LaBr2.75•5.25(MeOH)]+0.25 [LaBr3.25•4.75(MeOH)]−0.25} (4). The fully substituted species was ultimately isolated through the dissolution of dried LaBr3 in MeOH forming the 8-coordinated [LaBr3(MeOH)5] (5) complex. It was determined that the concentration of the crystallization solution directed the structure isolated (4 concentrated; 5 dilute) The other LaX3 derivatives were isolated as [(MeOH)4(Cl)2La(µ-Cl)]2 (6) and [La(MeOH)9](I)3•MeOH (7). Beryllium Dome XRD analysis indicated that the bulk material for 5 appear to have multiple solvated species, 6 is consistent with the single crystal, and 7 was too broad to elucidate structural aspects. Multinuclear NMR (139La) indicated that these compounds do not retain their structure in MeOD. TGA/DTA data revealed that the de-solvation temperatures of the MeOH derivatives 4 – 6 were slightly higher in comparison to their hydrated counterparts. PMID:20514349

  5. Structural characterization of nanowires and nanowire arrays

    NASA Astrophysics Data System (ADS)

    Becker, Catherine Rose

    Nanowires, which have diameter less than a few hundred nanometers and high aspect ratios, may have the same properties as their corresponding bulk materials, or may exhibit unique properties due to their confined dimensions and increased surface to volume ratios. They are a popular field of technological investigation in applications that depend on the transport of charge carriers, because of expectations that microcircuit miniaturization will lead to the next boom in the electronics industry. In this work, the high spatial resolution afforded by transmission electron microscopy (TEM) is used to study nanowires formed by electrochemical deposition into porous alumina templates. The goal is to determine the effect of the synthesis and subsequent processing on the microstructure and crystallinity of the wires. A thorough understanding of the microstructural features of a material is vital for optimizing its performance in a desired application. Two material systems were studied in this work. The first is bismuth telluride (Bi 2Te3), which is used in thermoelectric applications. The second is metallic copper, the electrochemical deposition of which is of interest for interconnects in semiconductor devices. The first part of this work utilized TEM to obtain a thorough characterization of the microstructural features of individual Bi2Te3 nanowires following release from the templates. As deposited, the nanowires are fine grained and exhibit significant lattice strain. Annealing increases the grain size and dislocations are created to accommodate the lattice strain. The degree of these microstructural changes depends on the thermal treatment. However, no differences were seen in the nanowire microstructure as a function of the synthetic parameters. The second part of this work utilized a modified dark field TEM technique in order to obtain a spatially resolved, semi-quantitative understanding of the evolution of preferred orientation as a function of the electrochemical

  6. Fine-structural characterization of plant microbodies.

    PubMed

    Frederick, S E; Newcomb, E H; Vigil, E L; Wergin, W P

    1968-09-01

    Morphology and distribution of the relatively less well known organelles of plants have been studied with the electron microscope in tissues fixed in glutaraldehyde and postfixed in osmium tetroxide. An organelle comparable morphologically to the animal microbody and similar to the plant microbody isolated by MOLLENHAUER et al. (1966) has been encountered in a variety of plant species and tissues, and has been studied particularly in bean and radish roots, oat coleoptiles, and tobacco roots, stems and callus. The organelle has variable shape and is 0.5 to 1.5 μ in the greatest diameter. It has a single bounding membrane, a granular to fibrillar matrix of variable electron density, and an intimate association with one or two cisternae of rough endoplasmic reticulum (ER). Microbodies are easily the most common and generally distributed of the less well characterized organelles of plant cells. It seems very probable that they contain the enzymes characteristic of animal lysosomes (containing hydrolases) or animal microbodies (containing catalase and certain oxidases). Spherosomes are also possible sites of enzyme activity but are not as common or as widely distributed as microbodies. For this reason it appears likely that the particles designated as "plant lysosomes", "spherosomes", "peroxisomes", etc., in some of the cytochemical and biochemical studies on enzyme localization will prove to be microbodies.Variations in the morphology and ER associations of microbodies in tissues of bean and radish are described and discussed. "Crystal-containing bodies" (CCBs) are interpreted as a specialized type of microbody characteristic of metabolically less active cells. Stages in the formation of CCBs from microbodies of typical appearance are illustrated for Avena.The general occurrence of microbodies in meristematic and differentiating cells and their close association with the ER suggest that they may play active roles in cellular metabolism. The alterations in their

  7. Characterization of fluid transport in microscale structures

    SciTech Connect

    Paul, P.H.

    1998-01-01

    A new tool for imaging both scalar transport and velocity fields in liquid flows through microscale structures is described. The technique employs an ultraviolet laser pulse to write a pattern into the flow by uncaging a fluorescent dye. This is followed, at selected time delays, by flood illumination with a pulse of visible light which excites the uncaged dye. The resulting fluorescence image collected onto a sensitive CCD camera. The instrument is designed as an oil immersion microscope to minimize the beam steering effects. The caged fluorescent dye is seeded in trace quantities throughout the active fluid, thus images with high contrast and minimal distortion due to any molecular diffusion history can be obtained at any point within the microchannel by selectivity activating the dye in the immediate region of interest. The author reports images of pressure- and electrokinetically-driven steady flow within round cross section capillaries having micron scale inner diameters. The author also demonstrates the ability to recover the velocity profile from a time sequence of these scalar images by direct inversion of the conserved scalar advection-convection equation.

  8. Structural characterization of MAPLE deposited lipase biofilm

    NASA Astrophysics Data System (ADS)

    Aronne, Antonio; Ausanio, Giovanni; Bloisi, Francesco; Calabria, Raffaela; Califano, Valeria; Fanelli, Esther; Massoli, Patrizio; Vicari, Luciano R. M.

    2014-11-01

    Lipases (triacylglycerol ester hydrolases) are enzymes used in several industrial applications. Enzymes immobilization can be used to address key issues limiting widespread application at industrial level. Immobilization efficiency is related to the ability to preserve the native conformation of the enzyme. MAPLE (Matrix Assisted Pulsed Laser Evaporation) technique, a laser deposition procedure for treating organic/polymeric/biomaterials, was applied for the deposition of lipase enzyme in an ice matrix, using near infrared laser radiation. Microscopy analysis showed that the deposition occurred in micrometric and submicrometric clusters with a wide size distribution. AFM imaging showed that inter-cluster regions are uniformly covered with smaller aggregates of nanometric size. Fourier transform infrared spectroscopy was used for both recognizing the deposited material and analyzing its secondary structure. Results showed that the protein underwent reversible self-association during the deposition process. Actually, preliminary tests of MAPLE deposited lipase used for soybean oil transesterification with isopropyl alcohol followed by gas chromatography-mass spectrometry gave results consistent with undamaged deposition of lipase.

  9. Characterization of Nano-Structured Bainitic Steel

    NASA Astrophysics Data System (ADS)

    Beladi, Hossein; Timokhina, Ilana B.; Hodgson, Peter D.; Adachi, Yoshitaka

    A 0.79C-1.5Si-1.98Mn-0.98Cr-0.24Mo-1.06Al-1.58Co (wt%) steel was isothermally heat treated at 200°C for 10 days to produce a nano-structured bainitic steel. The microstructure consisted of nanobainitic ferrite laths with a high dislocation density and retained austenite films having extensive twins. The crystallographic analysis using TEM and EBSD revealed that the bainitic ferrite laths are close to the Nishiyama-Wassermann orientation relationship with their parent austenite. There was only one type of packet identified in a given transformed austenite grain. Each packet consisted of two different blocks having variants with the same habit plane, but different crystallographic orientations. Atom Probe Tomography (APT) revealed that the carbon content of nanobainitic ferrite laths was much higher than expected from the para-equilibrium level. This was explained due to the long heat treatment time, which led to the formation of fine Fe-C clusters on areas with high dislocation densities in bainitic ferrite laths.

  10. Harnessing glycomics technologies: integrating structure with function for glycan characterization

    PubMed Central

    Robinson, Luke N.; Artpradit, Charlermchai; Raman, Rahul; Shriver, Zachary H.; Ruchirawat, Mathuros; Sasisekharan, Ram

    2013-01-01

    Glycans, or complex carbohydrates, are a ubiquitous class of biological molecules which impinge on a variety of physiological processes ranging from signal transduction to tissue development and microbial pathogenesis. In comparison to DNA and proteins, glycans present unique challenges to the study of their structure and function owing to their complex and heterogeneous structures and the dominant role played by multivalency in their sequence-specific biological interactions. Arising from these challenges, there is a need to integrate information from multiple complementary methods to decode structure-function relationships. Focusing on acidic glycans, we describe here key glycomics technologies for characterizing their structural attributes, including linkage, modifications, and topology, as well as for elucidating their role in biological processes. Two cases studies, one involving sialylated branched glycans and the other sulfated glycosaminoglycans, are used to highlight how integration of orthogonal information from diverse datasets enables rapid convergence of glycan characterization for development of robust structure-function relationships. PMID:22522536

  11. Techniques for Rotating Two or More Loading Matrices to Optimal Agreement and Simple Structure: A Comparison and Some Technical Details.

    ERIC Educational Resources Information Center

    Kiers, Henk A. L.

    1997-01-01

    Five techniques that combine the ideals of rotation of matrices of factor loadings to optimal agreement and rotation to simple structure are compared on the basis of empirical and contrived data. Combining a generalized Procrustes analysis with Varimax on the main of the matched loading matrices performed well on all criteria. (SLD)

  12. Detailed impedance characterization of a well performing and durable Ni:CGO infiltrated cermet anode for metal-supported solid oxide fuel cells

    NASA Astrophysics Data System (ADS)

    Nielsen, Jimmi; Klemensø, Trine; Blennow, Peter

    2012-12-01

    Further knowledge of the novel, well performing and durable Ni:CGO infiltrated cermet anode for metal supported fuel cells has been acquired by means of a detailed impedance spectroscopy study. The anode impedance was shown to consist of three arcs. Porous electrode theory (PET) represented as a transmission line response could account for the intermediate frequency arc. The PET model enabled a detailed insight into the effect of adding minor amounts of Ni into the infiltrated CGO and allowed an estimation of important characteristics such as the electrochemical utilization thickness of the anode. Furthermore, the study also revealed that the observed high frequency impedance arc cannot solely be a consequence of the grain boundaries within the electrolyte as previous studies have assumed. Instead, the results pointed towards an oxide ion charge transfer resistance between the electrolyte and the infiltrated anode. The low frequency impedance arc was in accordance with previous studies interpreted to be associated with the gas concentration. Finally, the robustness of the infiltration towards sintering and/or agglomeration at elevated temperature was studied. The results showed that the performance of the infiltrated submicron sized particles was surprisingly robust. TEM analysis revealed the nano sized Ni particles to be trapped within the CGO matrix, which along the self limiting grain growth of the CGO seem to be able to stabilize the submicron structured anode.

  13. Detailed structural study of β-artemether: Density functional theory (DFT) calculations of Infrared, Raman spectroscopy, and vibrational circular dichroism

    NASA Astrophysics Data System (ADS)

    Wang, Zhiqiang; Chen, Jianchao; Li, Linwei; Zhou, Zhixu; Geng, Yiding; Sun, Tiemin

    2015-10-01

    In this study, the experimental and theoretical studies on the structure of β-artemether are presented. The optimized molecular structure, Mulliken atomic charges, vibrational spectra (IR, Raman and vibrational circular dichroism), and molecular electrostatic potential have been calculated by density functional theory (DFT) using B3LYP method with the 6-311++G (2d, p) basis set. Reliable vibrational assignments for Artemether have been made on the basis of potential energy distribution (PED). The vibrational circular dichroism (VCD) has been explored by ab initio calculations, and then was used to compare with the experimental VCD. The consistence between them confirmed the absolute configuration of Artemether. In addition, HOMO-LUMO of the title compound as well as thermo-dynamical parameters has illustrated the stability of β-artemether.

  14. The Hydrophobic Solvation Energies of Molecular-Scale Cavities Depend on the Detailed Structure of the Molecular Surface

    NASA Astrophysics Data System (ADS)

    Harris, Robert; Pettitt, B. Montgomery

    2015-03-01

    Both the energy (ΔGvdw) of inserting an uncharged molecular cavity into solution by turning on the Lennard-Jones interactions between the solute and solvent and the energy (ΔGrep) of inserting a nearly hard cavity into solution have often been assumed to increase linearly with the solvent-accessible surface area (A), in analogy with the energy of forming macroscopic cavities in solution. Because these energies are assumed to increase with A, they have often been assumed to drive protein collapse during folding. However we have shown that for molecular-scale cavities neither of these energies are simple linear functions of A. Additionally, for both alanine and glycine peptides we have shown that ΔGvdw decreases with A, implying that ΔGvdw opposes folding for these systems. We also show that assuming that ΔGrep is linear in A for large molecules but linear in the solvent-accessible volume (V) for small molecules is inconsistent with our findings. Any theory that can accurately predict ΔGvdw or ΔGrep will have to consider the details of the molecular shape rather than relying on coarse measures, such as A and V. The Robert A. Welch Foundation (H-0037), the National Science Foundation (CHE-1152876) and the National Institutes of Health (GM-037657) are thanked for partial support of this work. This research used XSEDE resources from TG-MCA93S001.

  15. SMS crew station (C and D panels and forward structures). CEI part 1: Detail specification, type 1 data

    NASA Technical Reports Server (NTRS)

    1976-01-01

    Established are the requirements for performance, design, test and qualification of one type of equipment identified as SMS C&D panels and forward structures. This CEI is used to provide all hardware and wiring necessary for the C&D panels to be properly interfaced with the computer complex/signal conversion equipment (SCE), crew station, and software requirements as defined in other CEI specifications.

  16. The characterization of widespread fatigue damage in fuselage structure

    NASA Technical Reports Server (NTRS)

    Piascik, Robert S.; Willard, Scott A.; Miller, Matthew

    1994-01-01

    The characteristics of widespread fatigue damage (WSFD) in fuselage riveted structure were established by detailed nondestructive and destructive examinations of fatigue damage contained in a full size fuselage test article. The objectives of this were to establish an experimental data base for validating emerging WSFD analytical prediction methodology and to identify first order effects that contribute to fatigue crack initiation and growth. Detailed examinations were performed on a test panel containing four bays of a riveted lap splice joint. The panel was removed from a full scale fuselage test article after receiving 60,000 full pressurization cycles. The results of in situ examinations document the progression of fuselage skin fatigue crack growth through crack linkup. Detailed tear down examinations and fractography of the lap splice joint region revealed fatigue crack initiation sites, crack morphology, and crack linkup geometry. From this large data base, distributions of crack size and locations are presented and discussions of operative damage mechanisms are offered.

  17. Synthesis, spectroscopic characterizations, crystal structures and DFT studies of nalidixic acid carbonyl hydrazones derivatives

    NASA Astrophysics Data System (ADS)

    Bergamini, F. R. G.; Ribeiro, M. A.; Lancellotti, M.; Machado, D.; Miranda, P. C. M. L.; Cuin, A.; Formiga, A. L. B.; Corbi, P. P.

    2016-09-01

    This article describes the synthesis and characterization of the 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbohydrazide (hzd) and six carbonyl hydrazones derivatives of the nalidixic with 1H-pyrrol-2-ylmethylidene (hpyrr), 1H-imidazol-2-ylmethylidene (h2imi), pyridin-2-ylmethylidene (h2py), pyridin-3-ylmethylidene (h3py), pyridin-4-ylmethylidene(h4py) and (2-hydroxyphenyl)methylidene (hsali). The carbonyl hydrazones were characterized by elemental and ESI-QTOF-MS analyses, IR and detailed NMR spectroscopic measurements. The 2D NMR experiments allowed the unambiguous assignment of the hydrogen, carbon and nitrogen atoms, which have not been reported for nalidixic acid carbonyl hydrazone derivatives so far. Crystal structures of hzd and the new carbonyl hydrazones h2imi, hpyrr and h3py were determined by X-ray diffraction studies. Although the synthesis of hzd was reported decades ago, the hzd crystal structure have not been reported yet. Geometric optimizations of all the characterized structures were performed with the aid of DFT studies. Despite the fact that the hydrazones with 2-pyridine carboxylic acid (h2py) and salicyl aldehyde (hsali) were already reported by literature, a detailed spectroscopic study followed by DFT studies are also reported for such compounds in this manuscript. Antimicrobial studies of the compounds are also presented.

  18. Mass Spectrometry Combinations for Structural Characterization of Sulfated-Steroid Metabolites

    NASA Astrophysics Data System (ADS)

    Yan, Yuetian; Rempel, Don L.; Holy, Timothy E.; Gross, Michael L.

    2014-05-01

    Steroid conjugates, which often occur as metabolites, are challenging to characterize. One application is female-mouse urine, where steroid conjugates serve as important ligands for the pheromone-sensing neurons. Although the two with the highest abundance in mouse urine were previously characterized with mass spectrometry (MS) and NMR to be sulfated steroids, many more exist but remain structurally unresolved. Given that their physical and chemical properties are similar, they are likely to have a sulfated steroid ring structure. Because these compounds occur in trace amounts in mouse urine and elsewhere, their characterization by NMR will be difficult. Thus, MS methods become the primary approach for determining structure. Here, we show that a combination of MS tools is effective for determining the structures of sulfated steroids. Using 4-pregnene analogs, we explored high-resolving power MS (HR-MS) to determine chemical formulae; HD exchange MS (HDX-MS) to determine number of active, exchangeable hydrogens (e.g., OH groups); methoxyamine hydrochloride (MOX) derivatization MS, or reactive desorption electrospray ionization with hydroxylamine to determine the number of carbonyl groups; and tandem MS (MSn), high-resolution tandem MS (HRMS/MS), and GC-MS to obtain structural details of the steroid ring. From the fragmentation studies, we deduced three major fragmentation rules for this class of sulfated steroids. We also show that a combined MS approach is effective for determining structure of steroid metabolites, with important implications for targeted metabolomics in general and for the study of mouse social communication in particular.

  19. Thiosaccharine disulfide: Synthesis, crystal structure, spectroscopic characterization and theoretical study

    NASA Astrophysics Data System (ADS)

    Ferullo, Ricardo M.; Granados, Alejandro; Lanterna, Anabel; Güida, Jorge A.; Piro, Oscar E.; Castellano, Eduardo E.; Dennehy, Mariana

    2013-01-01

    The title compound, (thiosaccharine disulfide), bis[1,1'dioxide-2,3-dihidro-1,2-benzoisothiazol]disulfide, (tsac)2 has been synthesized and fully characterized by UV-Visible, IR, Raman, 1H and 13C NMR spectroscopy elemental analysis and structural X-ray crystallography. A DFT theoretical study has been performed and good agreement between experimental and theoretical values of structural parameters and vibration frequencies have been achieved.

  20. Photothermal characterization of solid two-layer spherical structures

    NASA Astrophysics Data System (ADS)

    Xie, Guangxi; Chen, Zhifeng; Wang, Chinhua; Mandelis, Andreas

    2010-03-01

    A theoretical model for evaluating 2-layer solid spherical samples that are heated by a modulated light is presented using the Green function method. The specific Green's function corresponding to the composite structure has been derived. The characteristics of the thermal-wave field with respect to the thermophysical properties of the material and the geometrical factors are presented. Experimental results obtained with laser infrared photothermal radiometry show the capability of the model for characterizing the spherical layered structures.

  1. Micro- and nano-structural details of a spider's filter for substrate vibrations: relevance for low-frequency signal transmission

    PubMed Central

    Erko, Maxim; Younes-Metzler, Osnat; Rack, Alexander; Zaslansky, Paul; Young, Seth L.; Milliron, Garrett; Chyasnavichyus, Marius; Barth, Friedrich G.; Fratzl, Peter; Tsukruk, Vladimir; Zlotnikov, Igor; Politi, Yael

    2015-01-01

    The metatarsal lyriform organ of the Central American wandering spider Cupiennius salei is its most sensitive vibration detector. It is able to sense a wide range of vibration stimuli over four orders of magnitude in frequency between at least as low as 0.1 Hz and several kilohertz. Transmission of the vibrations to the slit organ is controlled by a cuticular pad in front of it. While the mechanism of high-frequency stimulus transfer (above ca 40 Hz) is well understood and related to the viscoelastic properties of the pad's epicuticle, it is not yet clear how low-frequency stimuli (less than 40 Hz) are transmitted. Here, we study how the pad material affects the pad's mechanical properties and thus its role in the transfer of the stimulus, using a variety of experimental techniques, such as X-ray micro-computed tomography for three-dimensional imaging, X-ray scattering for structural analysis, and atomic force microscopy and scanning electron microscopy for surface imaging. The mechanical properties were investigated using scanning acoustic microscopy and nanoindentation. We show that large tarsal deflections cause large deformation in the distal highly hydrated part of the pad. Beyond this region, a sclerotized region serves as a supporting frame which resists the deformation and is displaced to push against the slits, with displacement values considerably scaled down to only a few micrometres. Unravelling the structural arrangement in such specialized structures may provide conceptual ideas for the design of new materials capable of controlling a technical sensor's specificity and selectivity, which is so typical of biological sensors. PMID:25631567

  2. Comparative structural characterization of 7 commercial galacto-oligosaccharide (GOS) products.

    PubMed

    van Leeuwen, Sander S; Kuipers, Bas J H; Dijkhuizen, Lubbert; Kamerling, Johannis P

    2016-04-29

    Many β-galactosidase enzymes convert lactose into a mixture of galacto-oligosaccharides (GOS) when incubated under the right conditions. Recently, the composition of commercial Vivinal GOS produced by Bacillus circulans β-galactosidase was studied in much detail in another study by van Leeuwen et al. As a spin-off of this study, we used the developed analytical strategy for the evaluation of 6 anonymous commercial GOS products, in comparison with Vivinal GOS. These GOS products were first subjected to HPLC-SEC, calibrated HPAEC-PAD profiling (glucose units in relation to a malto-oligosaccharide ladder), and 1D (1)H NMR spectroscopy. For a more detailed analysis and support of the conclusions based on the initial analysis, the GOS products were separated into DP-pure subpools on Bio-Gel P-2 (MALDI-TOF-MS analysis), which were subjected to calibrated HPAEC-PAD profiling and (1)H NMR analysis. Unidentified peaks from different GOS products, not present in Vivinal GOS, were isolated for detailed structural characterization. In this way, the differences between the various GOS products in terms of DP distribution and type of glycosidic linkages were established. A total of 13 new GOS structures were characterized, adding structural-reporter-group signals and HPAEC-PAD based glucose unit G.U. values to the analytical toolbox. The newly characterized products enhance the quality of the database with GOS structures up to DP4. The combined data provide a firm basis for the rapid profiling of the GOS products of microbial β-galactosidase enzymes. PMID:27035911

  3. Characterizing accuracy of total hemoglobin recovery using contrast-detail analysis in 3D image-guided near infrared spectroscopy with the boundary element method

    PubMed Central

    Ghadyani, Hamid R.; Srinivasan, Subhadra; Pogue, Brian W.; Paulsen, Keith D.

    2010-01-01

    The quantification of total hemoglobin concentration (HbT) obtained from multi-modality image-guided near infrared spectroscopy (IG-NIRS) was characterized using the boundary element method (BEM) for 3D image reconstruction. Multi-modality IG-NIRS systems use a priori information to guide the reconstruction process. While this has been shown to improve resolution, the effect on quantitative accuracy is unclear. Here, through systematic contrast-detail analysis, the fidelity of IG-NIRS in quantifying HbT was examined using 3D simulations. These simulations show that HbT could be recovered for medium sized (20mm in 100mm total diameter) spherical inclusions with an average error of 15%, for the physiologically relevant situation of 2:1 or higher contrast between background and inclusion. Using partial 3D volume meshes to reduce the ill-posed nature of the image reconstruction, inclusions as small as 14mm could be accurately quantified with less than 15% error, for contrasts of 1.5 or higher. This suggests that 3D IG-NIRS provides quantitatively accurate results for sizes seen early in treatment cycle of patients undergoing neoadjuvant chemotherapy when the tumors are larger than 30mm. PMID:20720975

  4. Complexation of Actinides in Solution: Thermodynamic Measurementsand Structural Characterization

    SciTech Connect

    Rao, L.

    2007-02-01

    This paper presents a brief introduction of the studies of actinide complexation in solution at Lawrence Berkeley National Laboratory. An integrated approach of thermodynamic measurements and structural characterization is taken to obtain fundamental understanding of actinide complexation in solution that is of importance in predicting the behavior of actinides in separation processes and environmental transport.

  5. Detailed petrophysical characterization enhances geological mapping of a buried substratum using aeromagnetic and gravity data; application to the southwestern Paris basin

    NASA Astrophysics Data System (ADS)

    Baptiste, Julien; Martelet, Guillaume; Faure, Michel; Beccaletto, Laurent; Chen, Yan; Reninger, Pierre-Alexandre

    2016-04-01

    Mapping the geometries (structure and lithology) of a buried basement is a key for targeting resources and for improving the regional geological knowledge. The Paris basin is a Mesozoic to Cenozoic intraplate basin set up on a Variscan substratum, which crops out in the surrounding massifs. We focus our study on the southwestern part of the Paris basin at its junction with the Aquitaine basin. This Mezo-Cenozoic cover separates the Armorican Massif and the Massif Central which compose of several litho-tectonic units bounded by crustal-scale shear zones. In spite of several lithological and structural correlations between various domains of the two massifs, their geological connection, hidden below the Paris basin sedimentary cover, is still largely debated. Potential field geophysics have proven effective for mapping buried basin/basement interfaces. In order to enhance the cartographic interpretation of these data, we have set up a detailed petrophysical library (field magnetic susceptibility data and density measurements on rock samples) of the Paleozoic rocks outcropping in the Variscan massifs. The combination of aeromagnetic and gravity data supported by the petrophysical signatures and field/borehole geological information, is carried out to propose a new map of the architecture of the Variscan substratum. The new synthetic map of geophysical signature of the Paris basin basement combines: i) the magnetic anomaly reduced to the pole, ii) the vertical gradient of the Bouguer anomaly and iii) the tilt derivative of the magnetic anomaly reduced to the pole. Based on this information, the Eastern extension of the major shear zones below the sedimentary cover is assessed. The petrophysical signatures were classified in three classes of magnetic susceptibility and density: low, intermediate and high. Basic rocks have high magnetization and density values whereas granite, migmatite and orthogneiss show low magnetization and density values, Proterozoic and Paleozoic

  6. High-definition NMR structure of PED/PEA-15 death effector domain reveals details of key polar side chain interactions.

    PubMed

    Twomey, Edward C; Wei, Yufeng

    2012-07-20

    Death effector domain (DED) proteins constitute a subfamily of the large death domain superfamily that is primarily involved in apoptosis pathways. DED structures have characteristic side chain-side chain interactions among polar residues on the protein surface, forming a network of hydrogen bonds and salt bridges. The polar interaction network is functionally important in promoting protein-protein interactions by maintaining optimal side chain orientations. We have refined the solution DED structure of the PED/PEA-15 protein, a representative member of DED subfamily, using traditional NMR restraints with the addition of residual dipolar coupling (RDC) restraints from two independent alignment media, and employed the explicit solvent refinement protocol. The newly refined DED structure of PED/PEA-15 possesses higher structural quality as indicated by WHAT IF Z-scores, with most significant improvement in the backbone conformation normality quality factor. This higher quality DED structure of PED/PEA-15 leads to the identification of a number of key polar side chain interactions, which are not typically observed in NMR protein structures. The elucidation of polar side chain interactions is a key step towards the understanding of protein-protein interactions involving the death domain superfamily. The NMR structures with extensive details of protein structural features are thereby termed high-definition (HD) NMR structures. PMID:22732408

  7. Crystal structure and functional characterization of a light-driven chloride pump having an NTQ motif.

    PubMed

    Kim, Kuglae; Kwon, Soon-Kyeong; Jun, Sung-Hoon; Cha, Jeong Seok; Kim, Hoyoung; Lee, Weontae; Kim, Jihyun F; Cho, Hyun-Soo

    2016-01-01

    A novel light-driven chloride-pumping rhodopsin (ClR) containing an 'NTQ motif' in its putative ion conduction pathway has been discovered and functionally characterized in a genomic analysis study of a marine bacterium. Here we report the crystal structure of ClR from the flavobacterium Nonlabens marinus S1-08(T) determined under two conditions at 2.0 and 1.56 Å resolutions. The structures reveal two chloride-binding sites, one around the protonated Schiff base and the other on a cytoplasmic loop. We identify a '3 omega motif' formed by three non-consecutive aromatic amino acids that is correlated with the B-C loop orientation. Detailed ClR structural analyses with functional studies in E. coli reveal the chloride ion transduction pathway. Our results help understand the molecular mechanism and physiological role of ClR and provide a structural basis for optogenetic applications. PMID:27554809

  8. Structural Characterization of Layered Morphologies in Precise Copolymers

    NASA Astrophysics Data System (ADS)

    Trigg, Edward; Gaines, Taylor; Wagener, Kenneth; Winey, Karen

    2015-03-01

    Layered morphologies have been observed in precise polyethylene-based copolymers that contain acid, charged, or polar functional groups precisely spaced along a linear alkane chain. Sufficiently long alkane segments form structures resembling orthorhombic polyethylene crystals, while the functional groups form 2-D layers that disrupt the alkane crystal structure to varying degrees. Here, layered morphologies in precise copolymers containing acrylic acid, phosphonic acid, imidazolium bromide, and sulfone groups are studied via X-ray scattering. Specifically, the composition profiles of the layered structures are obtained by Fourier synthesis, and the coherence length is investigated using peak width analysis. This analysis indicates that the layers of functional groups are frequently bordered by two crystallites, which suggests different dynamics relative to layers bordered by one crystalline and one amorphous microdomain. Detailed understanding of the structure of the layered morphologies will allow for a systematic investigation of proton and ion conductivity mechanisms, which are expected to occur through the high-dielectric layers.

  9. Structural characterization of adsorbed helical and beta-sheet peptides

    NASA Astrophysics Data System (ADS)

    Samuel, Newton Thangadurai

    Adsorbed peptides on surfaces have potential applications in the fields of biomaterials, tissue engineering, peptide microarrays and nanobiotechnology. The surface region, the "biomolecular interface" between a material and the biological environment, plays a crucial role in these applications. As a result, characterization of adsorbed peptide structure, especially with respect to identity, concentration, spatial distribution, conformation and orientation, is important. The present research employs NEXAFS (near-edge X-ray absorption fine structure spectroscopy) and SFG (sum frequency generation spectroscopy) to provide information about the adsorbed peptide structure. Soft X-ray NEXAFS is a synchrotron-based technique which typically utilizes polarized X-rays to interrogate surfaces under ultra-high vacuum conditions. SFG is a non-linear optical technique which utilizes a combination of a fixed visible and a tunable infrared laser beams to generate a surface-vibrational spectrum of surface species. SFG has the added advantage of being able to directly analyze the surface-structure at the solid-liquid interface. The main goals of the present research were twofold: characterize the structure of adsorbed peptides (1) ex situ using soft X-ray NEXAFS, and (2) in situ using non-linear laser spectroscopy (SFG). Achieving the former goal involved first developing a comprehensive characterization of the carbon, nitrogen and oxygen k-edge NEXAFS spectra for amino acids, and then using a series of helical and beta-sheet peptides to demonstrate the sensitivity of polarization-dependent NEXAFS to secondary structure of adsorbed peptides. Characterizing the structure of adsorbed peptides in situ using SFG involved developing a model system to probe the solid-liquid interface in situ; demonstrating the ability to probe the molecular interactions and adsorbed secondary structure; following the time-dependent ordering of the adsorbed peptides; and establishing the ability to obtain

  10. Solid state NMR strategy for characterizing native membrane protein structures.

    PubMed

    Murray, Dylan T; Das, Nabanita; Cross, Timothy A

    2013-09-17

    Unlike water soluble proteins, the structures of helical transmembrane proteins depend on a very complex environment. These proteins sit in the midst of dramatic electrical and chemical gradients and are often subject to variations in the lateral pressure profile, order parameters, dielectric constant, and other properties. Solid state NMR is a collection of tools that can characterize high resolution membrane protein structure in this environment. Indeed, prior work has shown that this complex environment significantly influences transmembrane protein structure. Therefore, it is important to characterize such structures under conditions that closely resemble its native environment. Researchers have used two approaches to gain protein structural restraints via solid state NMR spectroscopy. The more traditional approach uses magic angle sample spinning to generate isotropic chemical shifts, much like solution NMR. As with solution NMR, researchers can analyze the backbone chemical shifts to obtain torsional restraints. They can also examine nuclear spin interactions between nearby atoms to obtain distances between atomic sites. Unfortunately, for membrane proteins in lipid preparations, the spectral resolution is not adequate to obtain complete resonance assignments. Researchers have developed another approach for gaining structural restraints from membrane proteins: the use of uniformly oriented lipid bilayers, which provides a method for obtaining high resolution orientational restraints. When the bilayers are aligned with respect to the magnetic field of the NMR spectrometer, researchers can obtain orientational restraints in which atomic sites in the protein are restrained relative to the alignment axis. However, this approach does not allow researchers to determine the relative packing between helices. By combining the two approaches, we can take advantage of the information acquired from each technique to minimize the challenges and maximize the quality of the

  11. Detailed simulation of the role of functionalized polymer chains on the structural, dynamic and mechanical properties of polymer nanocomposites.

    PubMed

    Liu, Jun; Shen, Jianxiang; Gao, Yangyang; Zhou, Huanhuan; Wu, Youping; Zhang, Liqun

    2014-11-28

    To systematically study the effect of functionalized chain groups on polymer nanocomposites, we perform our simulation work in the following two ways. In the case of dilute loading of nanoparticles (NPs) with different geometries (spherical, sheet-like, rod-like NPs), we adopt coarse-grained molecular dynamics simulation to study the structural, dynamic and mechanical properties of polymer nanocomposites influenced by the terminal groups of linear polymer chains. We observe that the terminal groups have more probability to be adsorbed onto the surface of NPs with decreasing temperature, chain molecular weight and increasing chain stiffness. For all NPs with different geometries, more terminal groups segregate into the surface of NPs with increase in the interaction energy εf-n between the terminal groups and the NPs. We also notice that the attractive interaction between the terminal groups and the sheet-like NPs induces the appearance of a gradient of translational dynamics of polymer chains, and the relaxation at the chain length scale is evidently different for various adsorbed layers, whereas the segmental relaxation only becomes slightly slower nearby the sheet-like NPs. For both pure and filled systems with spherical NPs, it is found that the stress-strain curves and bond orientations are significantly enhanced with increase in the interaction strength between the terminal groups as well as terminal groups and NPs. In the case of concentrated loading of NPs, we construct the atomistic models of C60, CNT and graphene to accurately account for the "many body effect." We explore the influence of the functionalization position along the chain backbone on the dispersion kinetics, realizing that the end-functionalization is more effective. The end-groups effect on the chain configuration, chain packing and graphene equilibrium dispersibility is examined. The translational and rotational (segmental and terminal relaxation) dynamics influenced by the interactions

  12. Thermodynamic and structural characterization of an antibody gel

    PubMed Central

    Esue, Osigwe; Xie, Anna X.; Kamerzell, Tim J.; Patapoff, Thomas W.

    2013-01-01

    Although extensively studied, protein–protein interactions remain highly elusive and are of increasing interest in drug development. We show the assembly of a monoclonal antibody, using multivalent carboxylate ions, into highly-ordered structures. While the presence and function of similar structures in vivo are not known, the results may present a possible unexplored area of antibody structure-function relationships. Using a variety of tools (e.g., mechanical rheology, electron microscopy, isothermal calorimetry, Fourier transform infrared spectroscopy), we characterized the physical, biochemical, and thermodynamic properties of these structures and found that citrate may interact directly with the amino acid residue histidine, after which the individual protein units assemble into a filamentous network gel exhibiting high elasticity and interfilament interactions. Citrate interacts exothermically with the monoclonal antibody with an association constant that is highly dependent on solution pH and temperature. Secondary structure analysis also reveals involvement of hydrophobic and aromatic residues. PMID:23425660

  13. Is Neisseria gonorrhoeae initiating a future era of untreatable gonorrhea?: detailed characterization of the first strain with high-level resistance to ceftriaxone.

    PubMed

    Ohnishi, Makoto; Golparian, Daniel; Shimuta, Ken; Saika, Takeshi; Hoshina, Shinji; Iwasaku, Kazuhiro; Nakayama, Shu-ichi; Kitawaki, Jo; Unemo, Magnus

    2011-07-01

    Recently, the first Neisseria gonorrhoeae strain (H041) that is highly resistant to the extended-spectrum cephalosporin (ESC) ceftriaxone, the last remaining option for empirical first-line treatment, was isolated. We performed a detailed characterization of H041, phenotypically and genetically, to confirm the finding, examine its antimicrobial resistance (AMR), and elucidate the resistance mechanisms. H041 was examined using seven species-confirmatory tests, antibiograms (30 antimicrobials), porB sequencing, N. gonorrhoeae multiantigen sequence typing (NG-MAST), multilocus sequence typing (MLST), and sequencing of ESC resistance determinants (penA, mtrR, penB, ponA, and pilQ). Transformation, using appropriate recipient strains, was performed to confirm the ESC resistance determinants. H041 was assigned to serovar Bpyust, MLST sequence type (ST) ST7363, and the new NG-MAST ST4220. H041 proved highly resistant to ceftriaxone (2 to 4 μg/ml, which is 4- to 8-fold higher than any previously described isolate) and all other cephalosporins, as well as most other antimicrobials tested. A new penA mosaic allele caused the ceftriaxone resistance. In conclusion, N. gonorrhoeae has now shown its ability to also develop ceftriaxone resistance. Although the biological fitness of ceftriaxone resistance in N. gonorrhoeae remains unknown, N. gonorrhoeae may soon become a true superbug, causing untreatable gonorrhea. A reduction in the global gonorrhea burden by enhanced disease control activities, combined with wider strategies for general AMR control and enhanced understanding of the mechanisms of emergence and spread of AMR, which need to be monitored globally, and public health response plans for global (and national) perspectives are important. Ultimately, the development of new drugs for efficacious gonorrhea treatment is necessary. PMID:21576437

  14. Detailed functional characterization of glycosylated and nonglycosylated variants of malaria vaccine candidate PfAMA1 produced in Nicotiana benthamiana and analysis of growth inhibitory responses in rabbits.

    PubMed

    Boes, Alexander; Spiegel, Holger; Edgue, Gueven; Kapelski, Stephanie; Scheuermayer, Matthias; Fendel, Rolf; Remarque, Edmond; Altmann, Friedrich; Maresch, Daniel; Reimann, Andreas; Pradel, Gabriele; Schillberg, Stefan; Fischer, Rainer

    2015-02-01

    One of the most promising malaria vaccine candidate antigens is the Plasmodium falciparum apical membrane antigen 1 (PfAMA1). Several studies have shown that this blood-stage antigen can induce strong parasite growth inhibitory antibody responses. PfAMA1 contains up to six recognition sites for N-linked glycosylation, a post-translational modification that is absent in P. falciparum. To prevent any potential negative impact of N-glycosylation, the recognition sites have been knocked out in most PfAMA1 variants expressed in eukaryotic hosts. However, N-linked glycosylation may increase efficacy by improving immunogenicity and/or focusing the response towards relevant epitopes by glycan masking. We describe the production of glycosylated and nonglycosylated PfAMA1 in Nicotiana benthamiana and its detailed characterization in terms of yield, integrity and protective efficacy. Both PfAMA1 variants accumulated to high levels (>510 μg/g fresh leaf weight) after transient expression, and high-mannose-type N-glycans were confirmed for the glycosylated variant. No significant differences between the N. benthamiana and Pichia pastoris PfAMA1 variants were detected in conformation-sensitive ligand-binding studies. Specific titres of >2 × 10(6) were induced in rabbits, and strong reactivity with P. falciparum schizonts was observed in immunofluorescence assays, as well as up to 100% parasite growth inhibition for both variants, with IC₅₀ values of ~35 μg/mL. Competition assays indicated that a number of epitopes were shielded from immune recognition by N-glycans, warranting further studies to determine how glycosylation can be used for the directed targeting of immune responses. These results highlight the potential of plant transient expression systems as a production platform for vaccine candidates. PMID:25236489

  15. Multiple rewards from a treasure trove of novel glycoside hydrolase and polysaccharide lyase structures: new folds, mechanistic details, and evolutionary relationships.

    PubMed

    Fushinobu, Shinya; Alves, Victor D; Coutinho, Pedro M

    2013-10-01

    Recent progress in three-dimensional structure analyses of glycoside hydrolases (GHs) and polysaccharide lyases (PLs), the historically relevant enzyme classes involved in the cleavage of glycosidic bonds of carbohydrates and glycoconjugates, is reviewed. To date, about 80% and 95% of the GH and PL families, respectively, have a representative crystal structure. New structures have been determined for enzymes acting on plant cell wall polysaccharides, sphingolipids, blood group antigens, milk oligosaccharides, N-glycans, oral biofilms and dietary seaweeds. Some GH enzymes have very unique catalytic residues such as the Asp-His dyad. New methods such as high-speed atomic force microscopy and computational simulation have opened up a path to investigate both the dynamics and the detailed molecular interactions displayed by these enzymes. PMID:23816329

  16. New quinternary selenides: Syntheses, characterizations, and electronic structure calculations

    SciTech Connect

    Chung, Ming-Yan; Lee, Chi-Shen

    2013-06-01

    Five quinternary selenides, Sr₂.₆₃Y₀.₃₇Ge₀.₆₃Sb₂.₃₇Se₈ (I), Sr₂.₆₃La₀.₃₇Ge₀.₆₃Sb₂.₃₇Se₈ (II), Sr₂.₇₁La₀.₂₉Sn₀.₇₇Bi₂.₂₃Se₈ (III), Ba₂.₆₇ La₀.₃₃ Sn₀.₆₇Sb₂.₃₃Se₈ (IV), and Ba₂.₆₇ La₀.₃₃Sn₀.₆₇Bi₂.₃₃Se₈ (V), were synthesized by solid-state reaction in fused silica tubes. These compounds are isostructural and crystallize in the Sr₃GeSb₂Se₈ structural-type, which belongs to the orthorhombic space group Pnma (no. 62). Three structural units, 1[MSe₃], 1[M₄Se₁₀] (M=Tt, Pn) and M´ (M´=groups II and III element), comprise the entire one-dimensional structure, separated by M´. Measurements of electronic resistivity and diffused reflectance suggest that IV and V have semiconducting properties. Electronic structure calculations confirm the site preferences of Sr/La element discovered by crystal structure refinement. - Graphical abstract: Quinternary selenides Ae₂.₆₇M₀.₃₃Tt₀.₆₇Pn₂.₃₃Se₈ (Ae, M, Tt, Pn=Sr/Ba, Y/La, Ge/Sn, Sb/Bi) were synthesized and their site preferences were characterized by single-crystal X-ray diffraction and electronic structure calculation. Highlights: • Five new quinternary selenides were synthesized and characterized. • Structural units, 1[MSe₃] and 1[M₄Se₁₀] (M=Tt, Pn), construct the one-dimensional structure. • Calculations of electronic structure confirm site preference of Sr/La sites.

  17. Microfluidic-based fabrication, characterization and magnetic functionalization of microparticles with novel internal anisotropic structure

    PubMed Central

    Qiu, Yang; Wang, Fei; Liu, Ying-Mei; Wang, Wei; Chu, Liang-Yin; Wang, Hua-Lin

    2015-01-01

    Easy fabrication and independent control of the internal and external morphologies of core-shell microparticles still remain challenging. Core-shell microparticle comprised of a previously unknown internal anisotropic structure and a spherical shell was fabricated by microfluidic-based emulsificaiton and photopolymerization. The interfacial and spatial 3D morphology of the anisotropic structure were observed by SEM and micro-CT respectively. Meanwhile, a series of layer-by-layer scans of the anisotropic structure were obtained via the micro-CT, which enhanced the detail characterization and analysis of micro materials. The formation mechanism of the internal anisotropic structure may be attributed to solution-directed diffusion caused by the semipermeable membrane structure and chemical potential difference between inside and outside of the semipermeable membrane-like polymerized shell. The morphology evolution of the anisotropic structure was influenced and controlled by adjusting reaction parameters including polymerization degree, polymerization speed, and solute concentration difference. The potential applications of these microparticles in microrheological characterization and image enhancement were also proposed by embedding magnetic nanoparticles in the inner core. PMID:26268148

  18. Microfluidic-based fabrication, characterization and magnetic functionalization of microparticles with novel internal anisotropic structure

    NASA Astrophysics Data System (ADS)

    Qiu, Yang; Wang, Fei; Liu, Ying-Mei; Wang, Wei; Chu, Liang-Yin; Wang, Hua-Lin

    2015-08-01

    Easy fabrication and independent control of the internal and external morphologies of core-shell microparticles still remain challenging. Core-shell microparticle comprised of a previously unknown internal anisotropic structure and a spherical shell was fabricated by microfluidic-based emulsificaiton and photopolymerization. The interfacial and spatial 3D morphology of the anisotropic structure were observed by SEM and micro-CT respectively. Meanwhile, a series of layer-by-layer scans of the anisotropic structure were obtained via the micro-CT, which enhanced the detail characterization and analysis of micro materials. The formation mechanism of the internal anisotropic structure may be attributed to solution-directed diffusion caused by the semipermeable membrane structure and chemical potential difference between inside and outside of the semipermeable membrane-like polymerized shell. The morphology evolution of the anisotropic structure was influenced and controlled by adjusting reaction parameters including polymerization degree, polymerization speed, and solute concentration difference. The potential applications of these microparticles in microrheological characterization and image enhancement were also proposed by embedding magnetic nanoparticles in the inner core.

  19. RF and structural characterization of new SRF films

    SciTech Connect

    A.-M. Valente-Feliciano,H. L. Phillips,C. E. Reece,X. Zhao,D. Gu,R. Lukaszew,B. Xiao,K. Seo

    2009-09-01

    In the past years, energetic vacuum deposition methods have been developed in different laboratories to improve Nb/Cu technology for superconducting cavities. Jefferson Lab is pursuing energetic condensation deposition via Electron Cyclotron Resonance. As part of this study, the influence of the deposition energy on the material and RF properties of the Nb thin film is investigated. The film surface and structure analyses are conducted with various techniques like X-ray diffraction, Transmission Electron Microscopy, Auger Electron Spectroscopy and RHEED. The microwave properties of the films are characterized on 50 mm disk samples with a 7.5 GHz surface impedance characterization system. This paper presents surface impedance measurements in correlation with surface and material characterization for Nb films produced on copper substrates with different bias voltages and also highlights emerging opportunities for developing multilayer SRF films with a new deposition system.

  20. Characterization of Coherent Structures in the Cardiovascular System

    PubMed Central

    Shadden, Shawn C.; Taylor, Charles A.

    2013-01-01

    Recent advances in blood flow modeling have provided highly resolved, four-dimensional data of fluid mechanics in large vessels. The motivation for such modeling is often to better understand how flow conditions relate to health and disease, or to evaluate interventions that affect, or are affected by, blood flow mechanics. Vessel geometry and the pulsatile pumping of blood leads to complex flow, which is often difficult to characterize. This article discusses a computational method to better characterize blood flow kinematics. In particular, we compute Lagrangian coherent structures (LCS) to study flow in large vessels. We demonstrate that LCS can be used to characterize flow stagnation, flow separation, partitioning of fluid to downstream vasculature, and mechanisms governing stirring and mixing in vascular models. This perspective allows valuable under-standing of flow features in large vessels beyond methods traditionally considered. PMID:18437573

  1. 2D and 3D reconstruction and geomechanical characterization of kilometre-scale complex folded structures

    NASA Astrophysics Data System (ADS)

    Zanchi, Andrea; Agliardi, Federico; Crosta, Giovanni B.; Villa, Alberto; Bistacchi, Andrea; Iudica, Gaetano

    2015-04-01

    The geometrical, structural and geomechanical characterization of large-scale folded structures in sedimentary rocks is an important issue for different geological and geo-hazard applications (e.g. hydrocarbon and geothermal reservoir exploitation, natural rock slope stability, mining, and tunnelling). Fold geometry controls topography and the spatial distribution of rock types with different strength and permeability. Fold-related fracture systems condition the fracture intensity, degree of freedom, and overall strength of rock masses. Nevertheless, scale issues and limited accessibility or partial exposure of structures often hamper a complete characterization of these complex structures. During the last years, advances in remote survey techniques as terrestrial Lidar (TLS) allowed significant improvements in the geometrical and geological characterization of large or inaccessible outcrops. However, sound methods relating structures to rock mass geomechanical properties are yet to be developed. Here we present results obtained by integrating remote survey and field assessment techniques to characterize a folded sedimentary succession exposed in unreachable vertical rock walls. The study area is located in the frontal part of the Southern Alps near Bergamo, Italy. We analysed large-scale detachment folds developed in the Upper Triassic sedimentary cover in the Zu Limestone. Folds are parallel and disharmonic, with regular wavelengths and amplitudes of about 200-250 m. We used a Riegl VZ-1000 long-range laser scanner to obtain points clouds with nominal spacings between 5 cm and 20 cm from 9 scan positions characterized by range between 350 m and 1300 m. We fixed shadowing and occlusion effects related to fold structure exposure by filling point clouds with data collected by terrestrial digital photogrammetry (TDP). In addition, we carried out field surveys of fold-related brittle structures and their geomechanical attributes at key locations. We classified cloud

  2. Characterizing Protein Structure, Dynamics and Conformation in Lyophilized Solids

    PubMed Central

    Moorthy, Balakrishnan S.; Iyer, Lavanya K.; Topp, Elizabeth M.

    2015-01-01

    The long-term stability of protein therapeutics in the solid-state depends on the preservation of native structure during lyophilization and in the lyophilized powder. Proteins can reversibly or irreversibly unfold upon lyophilization, acquiring conformations susceptible to degradation during storage. Therefore, characterizing proteins in the dried state is crucial for the design of safe and efficacious formulations. This review summarizes the basic principles and applications of the analytical techniques that are commonly used to characterize protein structure, dynamics and conformation in lyophilized solids. The review also discusses the applications of recently developed mass spectrometry based methods (solid-state hydrogen deuterium exchange mass spectrometry (ssHDX-MS) and solid-state photolytic labeling mass spectrometry (ssPL-MS)) and their ability to study proteins in the solid-state at high resolution. PMID:26446463

  3. Preparation, structural, and calorimetric characterization of bicomponent metallic photonic crystals

    NASA Astrophysics Data System (ADS)

    Kozlov, M. E.; Murthy, N. S.; Udod, I.; Khayrullin, I. I.; Baughman, R. H.; Zakhidov, A. A.

    2007-03-01

    We report preparation and characterization of novel bicomponent metal-based photonic crystals having submicron three-dimensional (3D) periodicity. Fabricated photonic crystals include SiO2 sphere lattices infiltrated interstitially with metals, carbon inverse lattices filled with metal or metal alloy spheres, Sb inverse lattices, and Sb inverse lattices filled with Bi spheres. Starting from a face centered SiO2 lattice template, these materials were obtained by sequences of either templating and template extraction or templating, template extraction, and retemplating. Surprising high fidelity was obtained for all templating and template extraction steps. Scanning electron microscopy (SEM), small angle X-ray scattering (SAXS) and differential scanning calorimetry (DSC) were used to characterize the structure and the effects of the structure on calorimetric properties. To the best of our knowledge, SAXS data on metallic photonic crystals were collected for first time.

  4. Structural and electrical characterization of hybrid metal-polypyrrole nanowires

    NASA Astrophysics Data System (ADS)

    Gence, L.; Faniel, S.; Gustin, C.; Melinte, S.; Bayot, V.; Callegari, V.; Reynes, O.; Demoustier-Champagne, S.

    2007-09-01

    We present here the synthesis and structural characterization of hybrid Au-polypyrrole-Au and Pt-polypyrrole-Au nanowires together with a study of their electrical properties from room temperature down to very low temperature. A careful characterization of the metal-polymer interfaces by transmission electron microscopy revealed that the structure and mechanical strength of bottom and upper interfaces are very different. Variable temperature electrical transport measurements were performed on both multiple nanowires—contained within the polycarbonate template—and single nanowires. Our data show that the three-dimensional Mott variable-range-hopping model provides a complete framework for the understanding of transport in polypyrrole nanowires, including nonlinear current-voltage characteristics and magnetotransport at low temperatures.

  5. Structural characterization of bimetallic Pd-Cu vapor derived catalysts

    NASA Astrophysics Data System (ADS)

    Balerna, Antonella; Evangelisti, Claudio; Psaro, Rinaldo; Fusini, Graziano; Carpita, Adriano

    2016-05-01

    Pd-Cu bimetallic Solvated Metal Atoms (SMA) were synthesized by metal vapor synthesis technique and supported on PVPy resin. Since the catalytic activity, of the Pd-Cu system turned out to be quite high also compared to the corresponding monometallic system, a structural characterization, using electron microscopy techniques and X-ray Absorption Fine Structure spectroscopy, was performed. HRTEM analysis showed the presence of Pd particles distributed in a narrow range with a mean diameter of about 2.5 nm while the XAFS analysis, confirmed the presence of the Pd nanoparticles but revealed also some alloying with Cu atoms.

  6. Characterization of seismic hazard and structural response by energy flux

    USGS Publications Warehouse

    Afak, E.

    2000-01-01

    Seismic safety of structures depends on the structure's ability to absorb the seismic energy that is transmitted from ground to structure. One parameter that can be used to characterize seismic energy is the energy flux. Energy flux is defined as the amount of energy transmitted per unit time through a cross-section of a medium, and is equal to kinetic energy multiplied by the propagation velocity of seismic waves. The peak or the integral of energy flux can be used to characterize ground motions. By definition, energy flux automatically accounts for site amplification. Energy flux in a structure can be studied by formulating the problem as a wave propagation problem. For buildings founded on layered soil media and subjected to vertically incident plane shear waves, energy flux equations are derived by modeling the buildings as an extension of the layered soil medium, and considering each story as another layer. The propagation of energy flux in the layers is described in terms of the upgoing and downgoing energy flux in each layer, and the energy reflection and transmission coefficients at each interface. The formulation results in a pair of simple finite-difference equations for each layer, which can be solved recursively starting from the bedrock. The upgoing and downgoing energy flux in the layers allows calculation of the energy demand and energy dissipation in each layer. The methodology is applicable to linear, as well as nonlinear structures. ?? 2000 Published by Elsevier Science Ltd.

  7. Characterization of multiple twinned structural units in pulse-electrodeposited nickel

    NASA Astrophysics Data System (ADS)

    Klement, U.; Kahrimanidis, A.; Yao, Y.

    2015-04-01

    The investigation was performed on pulse-electrodeposited Nickel with submicrocrystalline microstructure containing slightly elongated grains having a <110> fibre texture in growth direction. Structural units in form of groups of elongated grains possessing a common <110>-zone axis in growth direction and CSL boundaries (in some cases twins) between them have been found in the microstructure by use of EBSD. Grain growth sets in above 325°C but the texture is conserved up to at least 600°C. This means that the arrangement of twins and other CSL boundaries stabilized the structural units; there is no orientation change (by further twinning) when grain growth occurs as seen in previous studies on Ni and Ni-Fe of different initial texture. The observed structural units were characterized in detail and the occurring grains and grain boundaries are described.

  8. Optical fiber sensors for materials and structures characterization

    NASA Technical Reports Server (NTRS)

    Lindner, D. K.; Claus, R. O.

    1991-01-01

    The final technical report on Optical Fiber Sensors for Materials and Structures Characterization, covering the period August 1990 through August 1991 is presented. Research programs in the following technical areas are described; sapphire optical fiber sensors; vibration analysis using two-mode elliptical core fibers and sensors; extrinsic Fabry-Perot interferometer development; and coatings for fluorescent-based sensor. Research progress in each of these areas was substantial, as evidenced by the technical publications which are included as appendices.

  9. Characterization of mirror-based modulation-averaging structures.

    PubMed

    Komljenovic, Tin; Babić, Dubravko; Sipus, Zvonimir

    2013-05-10

    Modulation-averaging reflectors have recently been proposed as a means for improving the link margin in self-seeded wavelength-division multiplexing in passive optical networks. In this work, we describe simple methods for determining key parameters of such structures and use them to predict their averaging efficiency. We characterize several reflectors built by arraying fiber-Bragg gratings along a segment of an optical fiber and show very good agreement between experiments and theoretical models. PMID:23669835

  10. In situ characterization of structural dynamics in swelling hydrogels.

    PubMed

    Guzman-Sepulveda, J R; Deng, J; Fang, J Y; Dogariu, A

    2016-07-01

    Characterizing the structural morphology and the local viscoelastic properties of soft complex systems raises significant challenges. Here we introduce a dynamic light scattering method capable of in situ, continuous monitoring of structural changes in evolving systems such as swelling gels. We show that the inherently non-stationary dynamics of embedded probes can be followed using partially coherent radiation, which effectively isolates only single scattering contributions even during the dramatic changes in the scattering regime. Using a simple and robust experimental setup, we demonstrate the ability to continuously monitor the structural dynamics of chitosan hydrogels formed by the Ag(+) ion-triggered gelation during their long-term swelling process. We demonstrate that both the local viscoelastic properties of the suspending medium and an effective cage size experienced by diffusing probe particles loaded into the hydrogel can be recovered and used to describe the structural dynamics of hydrogels with different levels of cross-linking. This characterization capability is critical for defining and controlling the hydrogel performance in different biomedical applications. PMID:27336408

  11. Characterization of a Novel Water Pocket Inside the Human Cx26 Hemichannel Structure

    PubMed Central

    Araya-Secchi, Raul; Perez-Acle, Tomas; Kang, Seung-gu; Huynh, Tien; Bernardin, Alejandro; Escalona, Yerko; Garate, Jose-Antonio; Martínez, Agustin D.; García, Isaac E.; Sáez, Juan C.; Zhou, Ruhong

    2014-01-01

    Connexins (Cxs) are a family of vertebrate proteins constituents of gap junction channels (GJCs) that connect the cytoplasm of adjacent cells by the end-to-end docking of two Cx hemichannels. The intercellular transfer through GJCs occurs by passive diffusion allowing the exchange of water, ions, and small molecules. Despite the broad interest to understand, at the molecular level, the functional state of Cx-based channels, there are still many unanswered questions regarding structure-function relationships, perm-selectivity, and gating mechanisms. In particular, the ordering, structure, and dynamics of water inside Cx GJCs and hemichannels remains largely unexplored. In this work, we describe the identification and characterization of a believed novel water pocket—termed the IC pocket—located in-between the four transmembrane helices of each human Cx26 (hCx26) monomer at the intracellular (IC) side. Using molecular dynamics (MD) simulations to characterize hCx26 internal water structure and dynamics, six IC pockets were identified per hemichannel. A detailed characterization of the dynamics and ordering of water including conformational variability of residues forming the IC pockets, together with multiple sequence alignments, allowed us to propose a functional role for this cavity. An in vitro assessment of tracer uptake suggests that the IC pocket residue Arg-143 plays an essential role on the modulation of the hCx26 hemichannel permeability. PMID:25099799

  12. Characterization of electronic structure of periodically strained graphene

    SciTech Connect

    Aslani, Marjan; Garner, C. Michael Nishi, Yoshio; Kumar, Suhas; Nordlund, Dennis; Pianetta, Piero

    2015-11-02

    We induced periodic biaxial tensile strain in polycrystalline graphene by wrapping it over a substrate with repeating pillar-like structures with a periodicity of 600 nm. Using Raman spectroscopy, we determined to have introduced biaxial strains in graphene in the range of 0.4% to 0.7%. Its band structure was characterized using photoemission from valance bands, shifts in the secondary electron emission, and x-ray absorption from the carbon 1s levels to the unoccupied graphene conduction bands. It was observed that relative to unstrained graphene, strained graphene had a higher work function and higher density of states in the valence and conduction bands. We measured the conductivity of the strained and unstrained graphene in response to a gate voltage and correlated the changes in their behavior to the changes in the electronic structure. From these sets of data, we propose a simple band diagram representing graphene with periodic biaxial strain.

  13. Characterization of electronic structure of periodically strained graphene

    SciTech Connect

    Aslani, Marjan; Garner, C. Michael; Kumar, Suhas; Nordlund, Dennis; Pianetta, Piero; Nishi, Yoshio

    2015-11-03

    We induced periodic biaxial tensile strain in polycrystalline graphene by wrapping it over a substrate with repeating pillar-like structures with a periodicity of 600 nm. Using Raman spectroscopy, we determined to have introduced biaxial strains in graphene in the range of 0.4% to 0.7%. Its band structure was characterized using photoemission from valance bands, shifts in the secondary electron emission, and x-ray absorption from the carbon 1s levels to the unoccupied graphene conduction bands. It was observed that relative to unstrained graphene, strained graphene had a higher work function and higher density of states in the valence and conduction bands. Furthermore, we measured the conductivity of the strained and unstrained graphene in response to a gate voltage and correlated the changes in their behavior to the changes in the electronic structure. From these sets of data, we propose a simple band diagram representing graphene with periodic biaxial strain.

  14. Crystal Structures of Flax Rust Avirulence Proteins AvrL567-A and -D Reveal Details of the Structural Basis for Flax Disease Resistance Specificity[W

    PubMed Central

    Wang, Ching-I A.; Gunčar, Gregor; Forwood, Jade K.; Teh, Trazel; Catanzariti, Ann-Maree; Lawrence, Gregory J.; Loughlin, Fionna E.; Mackay, Joel P.; Schirra, Horst Joachim; Anderson, Peter A.; Ellis, Jeffrey G.; Dodds, Peter N.; Kobe, Boštjan

    2007-01-01

    The gene-for-gene mechanism of plant disease resistance involves direct or indirect recognition of pathogen avirulence (Avr) proteins by plant resistance (R) proteins. Flax rust (Melampsora lini) AvrL567 avirulence proteins and the corresponding flax (Linum usitatissimum) L5, L6, and L7 resistance proteins interact directly. We determined the three-dimensional structures of two members of the AvrL567 family, AvrL567-A and AvrL567-D, at 1.4- and 2.3-Å resolution, respectively. The structures of both proteins are very similar and reveal a β-sandwich fold with no close known structural homologs. The polymorphic residues in the AvrL567 family map to the surface of the protein, and polymorphisms in residues associated with recognition differences for the R proteins lead to significant changes in surface chemical properties. Analysis of single amino acid substitutions in AvrL567 proteins confirm the role of individual residues in conferring differences in recognition and suggest that the specificity results from the cumulative effects of multiple amino acid contacts. The structures also provide insights into possible pathogen-associated functions of AvrL567 proteins, with nucleic acid binding activity demonstrated in vitro. Our studies provide some of the first structural information on avirulence proteins that bind directly to the corresponding resistance proteins, allowing an examination of the molecular basis of the interaction with the resistance proteins as a step toward designing new resistance specificities. PMID:17873095

  15. Structural characterizations of the chloroplast translocon protein Tic110

    PubMed Central

    Tsai, Jia-Yin; Chu, Chiung-Chih; Yeh, Yi-Hung; Chen, Lih-Jen; Li, Hsou-min; Hsiao, Chwan-Deng

    2013-01-01

    Tic110 is a major component of the chloroplast protein import translocon. Two functions with mutually exclusive structures have been proposed for Tic110: a protein-conducting channel with six transmembrane domains and a scaffold with two N-terminal transmembrane domains followed by a large soluble domain for binding transit peptides and other stromal translocon components. To investigate the structure of Tic110, Tic110 from Cyanidioschyzon merolae (CmTic110) was characterized. We constructed three fragments, CmTic110A, CmTic110B and CmTic110C, with increasing N-terminal truncations, to perform small-angle X-ray scattering (SAXS) and X-ray crystallography analyses and Dali structural comparison. Here we report the molecular envelope of CmTic110B and CmTic110C determined by SAXS, and the crystal structure of CmTic110C at 4.2 Å. Our data indicate that the C-terminal half of CmTic110 possesses a rod-shaped helix-repeat structure that is too flattened and elongated to be a channel. The structure is most similar to the HEAT-repeat motif that functions as scaffolds for protein–protein interactions. PMID:23711301

  16. Structural characterization of terrestrial microbial Mn oxides from Pinal Creek, AZ

    SciTech Connect

    Bargar, John; Fuller, Christopher; Marcus, Matthew A.; Brearley, Adrian J.; Perez De la Rosa, M.; Webb, Samuel M.; Caldwell, Wendel A.

    2008-03-19

    The microbial catalysis of Mn(II) oxidation is believed to be a dominant source of abundant sorption- and redox-active Mn oxides in marine, freshwater, and subsurface aquatic environments. In spite of their importance, environmental oxides of known biogenic origin have generally not been characterized in detail from a structural perspective. Hyporheic zone Mn oxide grain coatings at Pinal Creek, Arizona, a metals-contaminated stream, have been identified as being dominantly microbial in origin and are well studied from bulk chemistry and contaminant hydrology perspectives. This site thus presents an excellent opportunity to study the structures of terrestrial microbial Mn oxides in detail. XRD and EXAFS measurements performed in this study indicate that the hydrated Pinal Creek Mn oxide grain coatings are layer-type Mn oxides with dominantly hexagonal or pseudo-hexagonal layer symmetry. XRD and TEM measurements suggest the oxides to be nanoparticulate plates with average dimensions on the order of 11 nm thick x 35 nm diameter, but with individual particles exhibiting thickness as small as a single layer and sheets as wide as 500 nm. The hydrated oxides exhibit a 10-A basal-plane spacing and turbostratic disorder. EXAFS analyses suggest the oxides contain layer Mn(IV) site vacancy defects, and layer Mn(III) is inferred to be present, as deduced from Jahn-Teller distortion of the local structure. The physical geometry and structural details of the coatings suggest formation within microbial biofilms. The biogenic Mnoxides are stable with respect to transformation into thermodynamically more stable phases over a time scale of at least 5 months. The nanoparticulate layered structural motif, also observed in pure culture laboratory studies, appears to be characteristic of biogenic Mn oxides and may explain the common occurrence of this mineral habit in soils and sediments.

  17. EDITORIAL: (Nano)characterization of semiconductor materials and structures (Nano)characterization of semiconductor materials and structures

    NASA Astrophysics Data System (ADS)

    Bonanni, Alberta

    2011-06-01

    The latest impressive advancements in the epitaxial fabrication of semiconductors and in the refinement of characterization techniques have the potential to allow insight into the deep relation between materials' structural properties and their physical and chemical functionalities. Furthermore, while the comprehensive (nano)characterization of semiconductor materials and structures is becoming more and more necessary, a compendium of the currently available techniques is lacking. We are positive that an overview of the hurdles related to the specific methods, often leading to deceptive interpretations, will be most informative for the broad community working on semiconductors, and will help in shining some light onto a plethora of controversial reports found in the literature. From this perspective, with this special issue we address and highlight the challenges and misinterpretations related to complementary local (nanoscale) and more global experimental methods for the characterization of semiconductors. The six topical reviews and the three invited papers by leading experts in the specific fields collected in here are intended to provide the required broad overview on the possibilities of actual (nano)characterization methods, from the microscopy of single quantum structures, over the synchrotron-based absorption and diffraction of nano-objects, to the contentious detection of tiny magnetic signals by quantum interference and resonance techniques. We are grateful to all the authors for their valuable contributions. Moreover, I would like to thank the Editorial Board of the journal for supporting the realization of this special issue and for inviting me to serve as Guest Editor. We greatly appreciate the work of the reviewers, of the editorial staff of Semiconductor Science and Technology and of IOP Publishing. In particular, the efforts of Alice Malhador in coordinating this special issue are acknowledged.

  18. Characterization of the nanoscale structure of milk fat.

    PubMed

    Ramel, Pere Randy R; Peyronel, Fernanda; Marangoni, Alejandro G

    2016-07-15

    The nanoscale structure of milk fat (MF) crystal networks is extensively described for the first time through the characterization of milk fat-crystalline nanoplatelets (MF-CNPs). Removing oil by washing with cold isobutanol and breaking-down crystal aggregates by controlled homogenization allowed for the extraction and visualization of individual MF-CNPs that are mainly composed of high melting triacylglycerols (TAGs). By image analysis, the length and width of MF-CNPs were measured (600 nm × 200 nm-900 nm × 300 nm). Using small-angle X-ray scattering (SAXS), crystalline domain size, (i.e., thickness of MF-CNPs), was determined (27 nm (d001)). Through interpretation of ultra-small-angle X-ray scattering (USAXS) patterns of MF using Unified Fit and Guinier-Porod models, structural properties of MF-CNPs (smooth surfaces) and MF-CNP aggregations were characterized (RLCA aggregation of MF-CNPs to form larger structures that present diffused surfaces). Elucidation of MF-CNPs provides a new dimension of analysis for describing MF crystal networks and opens-up opportunities for modifying MF properties through nanoengineering. PMID:26948609

  19. Function discovery and structural characterization of a methylphosphonate esterase.

    PubMed

    Xiang, Dao Feng; Patskovsky, Yury; Nemmara, Venkatesh V; Toro, Rafael; Almo, Steven C; Raushel, Frank M

    2015-05-12

    Pmi1525, an enzyme of unknown function from Proteus mirabilis HI4320 and the amidohydrolase superfamily, was cloned, purified to homogeneity, and functionally characterized. The three-dimensional structure of Pmi1525 was determined with zinc and cacodylate bound in the active site (PDB id: 3RHG ). The structure was also determined with manganese and butyrate in the active site (PDB id: 4QSF ). Pmi1525 folds as a distorted (β/α)8-barrel that is typical for members of the amidohydrolase superfamily and cog1735. The substrate profile for Pmi1525 was determined via a strategy that marshaled the utilization of bioinformatics, structural characterization, and focused library screening. The protein was found to efficiently catalyze the hydrolysis of organophosphonate and carboxylate esters. The best substrates identified for Pmi1525 are ethyl 4-nitrophenylmethyl phosphonate (kcat and kcat/Km values of 580 s(-1) and 1.2 × 10(5) M(-1) s(-1), respectively) and 4-nitrophenyl butyrate (kcat and kcat/Km values of 140 s(-1) and 1.4 × 10(5) M(-1) s(-1), respectively). Pmi1525 is stereoselective for the hydrolysis of chiral methylphosphonate esters. The enzyme hydrolyzes the (SP)-enantiomer of isobutyl 4-nitrophenyl methylphosphonate 14 times faster than the corresponding (RP)-enantiomer. The catalytic properties of this enzyme make it an attractive template for the evolution of novel enzymes for the detection, destruction, and detoxification of organophosphonate nerve agents. PMID:25873441

  20. Function Discovery and Structural Characterization of a Methylphosphonate Esterase

    PubMed Central

    Xiang, Dao Feng; Patskovsky, Yury; Nemmara, Venkatesh V.; Toro, Rafael; Almo, Steven C.; Raushel, Frank M.

    2015-01-01

    Pmi1525, an enzyme of unknown function from Proteus Mirabilis HI4320 and the amidohydrolase superfamily, was cloned, purified to homogeneity, and functionally characterized. The three-dimensional structure of Pmi1525 was determined with zinc and cacodylate bound in the active site (PDB id: 3RHG). The structure was also determined with manganese and butyrate in the active site (PDB id: 4QSF). Pmi1525 folds as a distorted (β/α)8-barrel that is typical for members of the amidohydrolase superfamily and cog1735. The substrate profile for Pmi1525 was determined via a strategy that marshaled the utilization of bioinformatics, structural characterization and focused library screening. The protein was found to efficiently catalyze the hydrolysis of organophosphonate and carboxylate esters. The best substrates identified for Pmi1525 are ethyl 4-nitrophenylmethyl phosphonate (kcat and kcat/Km values of 580 s−1 and 1.2 × 105 M−1 s−1, respectively) and 4-nitrophenyl butyrate (kcat and kcat/Km values of 140 s−1 and 1.4 × 105 M−1 s−1, respectively). Pmi1525 is stereoselective for the hydrolysis of chiral methylphosphonate esters. The enzyme hydrolyzes the (SP)-enantiomer of isobutyl 4-nitrophenyl methylphosphonate 14 times faster than the corresponding (RP)-enantiomer. The catalytic properties of this enzyme make it an attractive template for the evolution of novel enzymes for the detection, destruction, and detoxification of organophosphonate nerve agents. PMID:25873441

  1. Nondestructive Structural Damage Detection in Flexible Space Structures Using Vibration Characterization

    NASA Technical Reports Server (NTRS)

    Ricles, James M.

    1991-01-01

    Spacecraft are susceptible to structural damage over their operating life from impact, environmental loads, and fatigue. Structural damage that is not detected and not corrected may potentially cause more damage and eventually catastrophic structural failure. NASA's current fleet of reusable spacecraft, namely the Space Shuttle, has been flown on several missions. In addition, configurations of future NASA space structures, e.g. Space Station Freedom, are larger and more complex than current structures, making them more susceptible to damage as well as being more difficult to inspect. Consequently, a reliable structural damage detection capability is essential to maintain the flight safety of these structures. Visual inspections alone can not locate impending material failure (fatigue cracks, yielding); it can only observe post-failure situations. An alternative approach is to develop an inspection and monitoring system based on vibration characterization that assesses the integrity of structural and mechanical components. A methodology for detecting structural damage is presented. This methodology is based on utilizing modal test data in conjunction with a correlated analytical model of the structure to: (1) identify the structural dynamic characteristics (resonant frequencies and mode shapes) from measurements of ambient motions and/or force excitation; (2) calculate modal residual force vectors to identify the location of structural damage; and (3) conduct a weighted sensitivity analysis in order to assess the extent of mass and stiffness variations, where structural damage is characterized by stiffness reductions. The approach is unique from other existing approaches in that varying system mass and stiffness, mass center locations, the perturbation of both the natural frequencies and mode shapes, and statistical confidence factors for structural parameters and experimental instrumentation are all accounted for directly.

  2. Free energy contributions and structural characterization of stacking disordered ices.

    PubMed

    Hudait, Arpa; Qiu, Siwei; Lupi, Laura; Molinero, Valeria

    2016-04-14

    Crystallization of ice from deeply supercooled water and amorphous ices - a process of fundamental importance in the atmosphere, interstellar space, and cryobiology - results in stacking disordered ices with a wide range of metastabilities with respect to hexagonal ice. The structural origin of this high variability, however, has not yet been elucidated. Here we use molecular dynamics simulations with the mW water model to characterize the structure of ice freshly grown from supercooled water at temperatures from 210 to 270 K, the thermodynamics of stacking faults, line defects, and interfaces, and to elucidate the interplay between kinetics and thermodynamics in determining the structure of ice. In agreement with experiments, the ice grown in the simulations is stacking disordered with a random distribution of cubic and hexagonal layers, and a cubicity that decreases with growth temperature. The former implies that the cubicity of ice is determined by processes at the ice/liquid interface, without memory of the structure of buried ice layers. The latter indicates that the probability of building a cubic layer at the interface decreases upon approaching the melting point of ice, which we attribute to a more efficient structural equilibration of ice at the liquid interface as the driving force for growth wanes. The free energy cost for creating a pair of cubic layers in ice is 8.0 J mol(-1) in experiments, and 9.7 ± 1.9 J mol(-1) for the mW water model. This not only validates the simulations, but also indicates that dispersion in cubicity is not sufficient to explain the large energetic variability of stacking disordered ices. We compute the free energy cost of stacking disorder, line defects, and interfaces in ice and conclude that a characterization of the density of these defects is required to predict the degree of metastability and vapor pressure of atmospheric ices. PMID:26983558

  3. The Crystal Structure of the Ivy delta4-16:0-ACP Desaturase Reveals Structural Details of the Oxidized Active Site and Potential Determinants of Regioselectivity

    SciTech Connect

    Guy,J.; Whittle, E.; Kumaran, D.; Lindqvist, Y.; Shanklin, J.

    2007-01-01

    The multifunctional acyl-acyl carrier protein (ACP) desaturase from Hedera helix (English ivy) catalyzes the {Delta}{sup 4} desaturation of 16:0-ACP and the{Delta}{sup 9} desaturation of 18:0-ACP and further desaturates{Delta}{sup 9}-16:1 or {Delta}{sup 9}-18:1 to the corresponding {Delta}{sup 4,9} dienes. The crystal structure of the enzyme has been solved to 1.95{angstrom} resolution, and both the iron-iron distance of 3.2{angstrom} and the presence of a {mu}-oxo bridge reveal this to be the only reported structure of a desaturase in the oxidized FeIII-FeIII form. Significant differences are seen between the oxidized active site and the reduced active site of the Ricinus communis (castor) desaturase; His{sup 227} coordination to Fe2 is lost, and the side chain of Glu{sup 224}, which bridges the two iron ions in the reduced structure, does not interact with either iron. Although carboxylate shifts have been observed on oxidation of other diiron proteins, this is the first example of the residue moving beyond the coordination range of both iron ions. Comparison of the ivy and castor structures reveal surface amino acids close to the annulus of the substrate-binding cavity and others lining the lower portion of the cavity that are potential determinants of their distinct substrate specificities. We propose a hypothesis that differences in side chain packing explains the apparent paradox that several residues lining the lower portion of the cavity in the ivy desaturase are bulkier than their equivalents in the castor enzyme despite the necessity for the ivy enzyme to accommodate three more carbons beyond the diiron site.

  4. Structural characterization of CA1462, the Candida albicans thiamine pyrophosphokinase

    PubMed Central

    Santini, Sébastien; Monchois, Vincent; Mouz, Nicolas; Sigoillot, Cécile; Rousselle, Tristan; Claverie, Jean-Michel; Abergel, Chantal

    2008-01-01

    Background In search of new antifungal targets of potential interest for pharmaceutical companies, we initiated a comparative genomics study to identify the most promising protein-coding genes in fungal genomes. One criterion was the protein sequence conservation between reference pathogenic genomes. A second criterion was that the corresponding gene in Saccharomyces cerevisiae should be essential. Since thiamine pyrophosphate is an essential product involved in a variety of metabolic pathways, proteins responsible for its production satisfied these two criteria. Results We report the enzymatic characterization and the crystallographic structure of the Candida albicans Thiamine pyrophosphokinase. The protein was co-crystallized with thiamine or thiamine-PNP. Conclusion The presence of an inorganic phosphate in the crystallographic structure opposite the known AMP binding site relative to the thiamine moiety suggests that a second AMP molecule could be accommodated in the C. albicans structure. Together with the crystallographic structures of the enzyme/substrate complexes this suggests the existence of a secondary, less specific, nucleotide binding site in the Candida albicans thiamine pyrophosphokinase which could transiently serve during the release or the binding of ATP. The structures also highlight a conserved Glutamine residue (Q138) which could interact with the ATP α-phosphate and act as gatekeeper. Finally, the TPK/Thiamine-PNP complex is consistent with a one step mechanism of pyrophosphorylation. PMID:18652651

  5. Rapid Characterization of Vegetation Structure with a Microsoft Kinect Sensor

    PubMed Central

    Azzari, George; Goulden, Michael L.; Rusu, Radu B.

    2013-01-01

    The importance of vegetation structure and biomass in controlling land-atmosphere exchange is widely recognized, but measurements of canopy structure are challenging, time consuming, and often rely on destructive methods. The Microsoft Kinect is an infrared sensor designed for video gaming that outputs synchronized color and depth images and that has the potential to allow rapid characterization of vegetation structure. We compared depth images from a Kinect sensor with manual measurements of plant structure and size for two species growing in a California grassland. The depth images agreed well with the horizontal and vertical measurements of plant size made manually. Similarly, the plant volumes calculated with a three-dimensional convex hulls approach was well related to plant biomass. The Kinect showed some limitations for ecological observation associated with a short measurement range and daytime light contamination. Nonetheless, the Kinect's light weight, fast acquisition time, low power requirement, and cost make it a promising tool for rapid field surveys of canopy structure, especially in small-statured vegetation. PMID:23435053

  6. Characterizing Englacial and Subglacial Temperature Structure Using Airborne Radar Sounding

    NASA Astrophysics Data System (ADS)

    Schroeder, D. M.; Seroussi, H. L.

    2015-12-01

    The temperature structure of ice sheet and glaciers is a fundamental control on ice flow, rheology, and stability. However, it is difficult to observationally constrain temperature structures at the catchment to ice-sheet scale. The englacial attenuation of radar sounding data is strongly dependent on the temperature structure of the ice sheets. Therefore, echo strength profiles from airborne radar sounding observation do contain temperature information. However, direct interpretation of englacial attenuation rates from radar sounding profiles is often difficult or impossible due to the ambiguous contribution the geometric and material properties of the bed to echo strength variations. To overcome this challenge, we presents techniques that treat radar sounding echo strength and ice thickness profiles as continuous signals, taking advantage of along-profile ice thickness and echo strength variations to constrain the spatial pattern of englacial attenuation and basal reflectivity. We then apply these techniques to an airborne radar sounding survey in order to characterize the englacial and subglacial temperature structure of the Thwaites Glacier catchment in West Antarctic. We then interpreted this structure in context of local ice sheet velocity, advection, force balance, and bed conditions using the ISSM ice sheet model.

  7. Rapid characterization of vegetation structure with a Microsoft Kinect sensor.

    PubMed

    Azzari, George; Goulden, Michael L; Rusu, Radu B

    2013-01-01

    The importance of vegetation structure and biomass in controlling land-atmosphere exchange is widely recognized, but measurements of canopy structure are challenging, time consuming, and often rely on destructive methods. The Microsoft Kinect is an infrared sensor designed for video gaming that outputs synchronized color and depth images and that has the potential to allow rapid characterization of vegetation structure. We compared depth images from a Kinect sensor with manual measurements of plant structure and size for two species growing in a California grassland. The depth images agreed well with the horizontal and vertical measurements of plant size made manually. Similarly, the plant volumes calculated with a three-dimensional convex hulls approach was well related to plant biomass. The Kinect showed some limitations for ecological observation associated with a short measurement range and daytime light contamination. Nonetheless, the Kinect's light weight, fast acquisition time, low power requirement, and cost make it a promising tool for rapid field surveys of canopy structure, especially in small-statured vegetation. PMID:23435053

  8. Structural and compositional characterization of the adhesive produced by reef building oysters.

    PubMed

    Alberts, Erik M; Taylor, Stephen D; Edwards, Stephanie L; Sherman, Debra M; Huang, Chia-Ping; Kenny, Paul; Wilker, Jonathan J

    2015-04-29

    Oysters have an impressive ability to overcome difficulties of life within the stressful intertidal zone. These shellfish produce an adhesive for attaching to each other and building protective reef communities. With their reefs often exceeding kilometers in length, oysters play a major role in balancing the health of coastal marine ecosystems. Few details are available to describe oyster adhesive composition or structure. Here several characterization methods were applied to describe the nature of this material. Microscopy studies indicated that the glue is comprised of organic fiber-like and sheet-like structures surrounded by an inorganic matrix. Phospholipids, cross-linking chemistry, and conjugated organics were found to differentiate this adhesive from the shell. Symbiosis in material synthesis could also be present, with oysters incorporating bacterial polysaccharides into their adhesive. Oyster glue shows that an organic-inorganic composite material can provide adhesion, a property especially important when constructing a marine ecosystem. PMID:25843147

  9. Structural characterization of impurified zinc oxide thin films

    SciTech Connect

    Trinca, L. M.; Galca, A. C. Stancu, V. Chirila, C. Pintilie, L.

    2014-11-05

    Europium doped zinc oxide (Eu:ZnO) thin films have been obtained by pulsed laser deposition (PLD). 002 textured thin films were achieved on glass and silicon substrates, while hetero-epilayers and homo-epilayers have been attained on single crystal SrTiO{sub 3} and ZnO, respectively. X-ray Diffraction (XRD) was employed to characterize the Eu:ZnO thin films. Extended XRD studies confirmed the different thin film structural properties as function of chosen substrates.

  10. Details of meiosis

    SciTech Connect

    1993-12-31

    Chapter 18, discusses the details of meiosis, beginning with the structure and number of chiasmata, i.e., the cytological term for two homologous chromosomes forming a bivalent which begin to repel each other until they are held together only at the point of crossing-over. The synaptonemal complex which consists of two lateral elements which contain protein and RNA is also discussed. The chapter concludes with a description of meiosis in polyploids, human meiosis, and the behavior of X and Y chromosomes. 28 refs., 8 figs.

  11. Structural and Energetic Characterization of the Ankyrin Repeat Protein Family

    PubMed Central

    Parra, R. Gonzalo; Espada, Rocío; Verstraete, Nina; Ferreiro, Diego U.

    2015-01-01

    Ankyrin repeat containing proteins are one of the most abundant solenoid folds. Usually implicated in specific protein-protein interactions, these proteins are readily amenable for design, with promising biotechnological and biomedical applications. Studying repeat protein families presents technical challenges due to the high sequence divergence among the repeating units. We developed and applied a systematic method to consistently identify and annotate the structural repetitions over the members of the complete Ankyrin Repeat Protein Family, with increased sensitivity over previous studies. We statistically characterized the number of repeats, the folding of the repeat-arrays, their structural variations, insertions and deletions. An energetic analysis of the local frustration patterns reveal the basic features underlying fold stability and its relation to the functional binding regions. We found a strong linear correlation between the conservation of the energetic features in the repeat arrays and their sequence variations, and discuss new insights into the organization and function of these ubiquitous proteins. PMID:26691182

  12. Structural and functional characterization of two alpha-synuclein strains

    NASA Astrophysics Data System (ADS)

    Bousset, Luc; Pieri, Laura; Ruiz-Arlandis, Gemma; Gath, Julia; Jensen, Poul Henning; Habenstein, Birgit; Madiona, Karine; Olieric, Vincent; Böckmann, Anja; Meier, Beat H.; Melki, Ronald

    2013-10-01

    α-synuclein aggregation is implicated in a variety of diseases including Parkinson’s disease, dementia with Lewy bodies, pure autonomic failure and multiple system atrophy. The association of protein aggregates made of a single protein with a variety of clinical phenotypes has been explained for prion diseases by the existence of different strains that propagate through the infection pathway. Here we structurally and functionally characterize two polymorphs of α-synuclein. We present evidence that the two forms indeed fulfil the molecular criteria to be identified as two strains of α-synuclein. Specifically, we show that the two strains have different structures, levels of toxicity, and in vitro and in vivo seeding and propagation properties. Such strain differences may account for differences in disease progression in different individuals/cell types and/or types of synucleinopathies.

  13. Synthesis and Structural Characterization of Orthorhombic Vanadium Oxide Nanorods

    NASA Astrophysics Data System (ADS)

    Garcia, L. M.; Chavira, E.; Santiago-Jacinto, P.; Rendon, L.; Marinero, E. E.; Tejada, A.; Fregoso-Israel, E.; Flores, C.

    2012-02-01

    Nanorod structures for Li storage are of interest for rechargeable battery applications. Vanadium pentoxide is a promising battery cathode material and in this work we report on the synthesis of V2O5 orthorhombic single crystal and polycrystalline nanorods by the sol-gel polymerizing acryl amide method via ethylenediamine tetra acetic acid EDTA assisted hydrothermal process. In order to determine the thermodynamic stability of nanostructured polymorphs vanadates, heat treatments were performed from 450 C to 500 ^oC with annealing times ranging from 48 to 72 h. The morphologies and structures of the nanorods were characterized by XRD, SEM and HRTEM. Thermo Gravimetric Analysis (TGA) was employed to monitor reaction mass losses during the course of the synthesis. Nanorod diameters ranging from 50 to 150 nm were observed. The lengths and diameter of the rods depended on the conditions of the preparation, such as concentration, and reaction time.

  14. Sparse Labeling of Proteins: Structural Characterization from Long Range Constraints

    PubMed Central

    Prestegard, James H.; Agard, David A.; Moremen, Kelley W.; Lavery, Laura A.; Morris, Laura C.; Pederson, Kari

    2014-01-01

    Structural characterization of biologically important proteins faces many challenges associated with degradation of resolution as molecular size increases and loss of resolution improving tools such as perdeuteration when non-bacterial hosts must be used for expression. In these cases, sparse isotopic labeling (single or small subsets of amino acids) combined with long range paramagnetic constraints and improved computational modeling offer an alternative. This perspective provides a brief overview of this approach and two discussions of potential applications; one involving a very large system (an Hsp90 homolog) in which perdeuteration is possible and methyl-TROSY sequences can potentially be used to improve resolution, and one involving ligand placement in a glycosylated protein where resolution is achieved by single amino acid labeling (the sialyltransferase, ST6Gal1). This is not intended as a comprehensive review, but as a discussion of future prospects that promise impact on important questions in the structural biology area. PMID:24656078

  15. Sparse labeling of proteins: Structural characterization from long range constraints

    NASA Astrophysics Data System (ADS)

    Prestegard, James H.; Agard, David A.; Moremen, Kelley W.; Lavery, Laura A.; Morris, Laura C.; Pederson, Kari

    2014-04-01

    Structural characterization of biologically important proteins faces many challenges associated with degradation of resolution as molecular size increases and loss of resolution improving tools such as perdeuteration when non-bacterial hosts must be used for expression. In these cases, sparse isotopic labeling (single or small subsets of amino acids) combined with long range paramagnetic constraints and improved computational modeling offer an alternative. This perspective provides a brief overview of this approach and two discussions of potential applications; one involving a very large system (an Hsp90 homolog) in which perdeuteration is possible and methyl-TROSY sequences can potentially be used to improve resolution, and one involving ligand placement in a glycosylated protein where resolution is achieved by single amino acid labeling (the sialyltransferase, ST6Gal1). This is not intended as a comprehensive review, but as a discussion of future prospects that promise impact on important questions in the structural biology area.

  16. Characterization of structure and thermophysical properties of three ESR slags

    NASA Astrophysics Data System (ADS)

    Plotkowski, A.; deBarbadillo, J.; Krane, Matthew J. M.

    2016-07-01

    The structure and properties of electroslag remelting (ESR) slags were characterized. Slags samples of three compositions were obtained from industrial remelting processes at Special Metals Corporation and from casting in a laboratory vacuum induction melter. The structure of the slag samples was observed using optical and electron microscopy, and phases were identified and their relative amounts quantified using X-ray diffraction. Laser flash thermal diffusivity, density, and differential scanning calorimetry measurements for specific heat were performed to determine the bulk thermal conductivity of the samples. Sample porosity was measured as a function of depth using a serial sectioning technique, and a onedimensional computational model was developed to estimate the thermal conductivity of the fully dense slags. These results are discussed in context with previous studies, and opportunities for future research are identified. AFRL Case Number: 88ABW-2015-1871.

  17. Structural Studies of Medicago truncatula Histidinol Phosphate Phosphatase from Inositol Monophosphatase Superfamily Reveal Details of Penultimate Step of Histidine Biosynthesis in Plants.

    PubMed

    Ruszkowski, Milosz; Dauter, Zbigniew

    2016-05-01

    The penultimate enzyme in the histidine biosynthetic pathway catalyzes dephosphorylation of l-histidinol 1-phosphate (HOLP) into l-histidinol. The recently discovered in Arabidopsis thaliana plant-type histidinol phosphate phosphatase (HPP) shares no homology with the two other HPP superfamilies known previously in prokaryotes and resembles myo-inositol monophosphatases (IMPases). In this work, identification of an HPP enzyme from a model legume, Medicago truncatula (MtHPP) was based on the highest sequence identity to A. thaliana enzyme. Biochemical assays confirmed that MtHPP was able to cleave inorganic phosphate from HOLP but not from d-myo-inositol-1-phosphate, the main substrate of IMPases. Dimers of MtHPP, determined by size exclusion chromatography, in the presence of CO2 or formaldehyde form mutual, methylene-bridged cross-links between Lys(158) and Cys(245) residues. Four high resolution crystal structures, namely complexes with HOLP (substrate), l-histidinol (product), and PO4 (3-) (by-product) as well as the structure showing the cross-linking between two MtHPP molecules, provide detailed structural information on the enzyme. Based on the crystal structures, the enzymatic reaction mechanism of IMPases is accustomed to fit the data for MtHPP. The enzymatic reaction, which requires Mg(2+) cations, is catalyzed mainly by amino acid residues from the N-terminal domain. The C-terminal domain, sharing little identity with IMPases, is responsible for the substrate specificity (i.e. allows the enzyme to distinguish between HOLP and d-myo-inositol-1-phosphate). Structural features, mainly the presence of a conserved Asp(246), allow MtHPP to bind HOLP specifically. PMID:26994138

  18. Improved Catenated Structures of Bovine Peroxiredoxin III F190L Reveal Details of Ring-Ring Interactions and a Novel Conformational State

    PubMed Central

    Cao, Zhenbo; McGow, Donna P.; Shepherd, Colin; Lindsay, J. Gordon

    2015-01-01

    Mitochondrial 2-cys peroxiredoxin III (PrxIII) is a key player in antioxidant defence reducing locally-generated H2O2 to H2O. A Phe to Leu (F190L) mutation in the C-terminal α-helix of PrxIII, mimicking that found in some bacteria and parasites, increases its resistance to hyperoxidation but has no obvious influence on peroxidase activity. Here we report on the oxidized and reduced crystal structures of bovine PrxIII F190L at 2.4 Å and 2.2 Å, respectively. Both structures exist as two-ring catenanes with their dodecameric rings inclined at 55o to each other, similar to that previously reported for PrxIII C168S. The new higher-resolution structures reveal details of the complex network of H-bonds stabilising the inter-toroid contacts. In addition, Arg123, the key conserved residue, that normally interacts with the catalytic cys (Cp, cys 47) is found in a distinct conformation extending away from the Cp while the characteristic Arg-Glu-Arg network, underpinning the active-site geometry also displays a distinctive arrangement, not observed previously. This novel active-site organisation may provide new insights into the dynamics of the large-scale conformational changes occurring between oxidized and reduced states. PMID:25906064

  19. Theoretical Study of L-Edge Resonant Inelastic X-ray Scattering in La2CuO4 on the Basis of Detailed Electronic Band Structure

    NASA Astrophysics Data System (ADS)

    Nomura, Takuji

    2015-09-01

    We study theoretically resonant inelastic x-ray scattering (RIXS) at the Cu L3-edge in a typical parent compound of high-Tc cuprate superconductors La2CuO4 on the basis of a detailed electronic band structure. We construct a realistic and precise tight-binding model by employing the maximally-localized Wannier functions derived from a first-principles electronic structure calculation, and then take account of the Coulomb repulsion between d electrons at each Cu site. The antiferromagnetic ground state is described within the Hartree-Fock approximation, and take account of electron correlations in the intermediate states of RIXS within the random-phase approximation (RPA). Calculated RIXS spectra agree well with the experimentally observed features including low-energy magnon excitation, d-d excitations, and charge-transfer excitations, over a wide excitation-energy range. In particular, we stress the importance of photon polarization dependence: the intensity of magnon excitation and the spectral structure of d-d excitations depend significantly not only on the polarization direction of incident incoming photons but also that of outgoing photons. It is demonstrated that the single-magnon excitation intensity is maximized when the polarization directions of incoming and outgoing photons are perpendicular to each other.

  20. Structure of dehaloperoxidase B at 1.58 Å resolution and structural characterization of the AB dimer from Amphitrite ornata

    SciTech Connect

    Serrano, Vesna de; D’Antonio, Jennifer; Franzen, Stefan; Ghiladi, Reza A.

    2010-05-01

    The crystal structure of dehaloperoxidase (DHP) isoenzyme B from the terebellid polychaete A. ornata, which exhibits both hemoglobin and peroxidase functions, has been determined at 1.58 Å resolution. As members of the globin superfamily, dehaloperoxidase (DHP) isoenzymes A and B from the marine annelid Amphitrite ornata possess hemoglobin function, but they also exhibit a biologically relevant peroxidase activity that is capable of converting 2,4,6-trihalophenols to the corresponding 2,6-dihaloquinones in the presence of hydrogen peroxide. Here, a comprehensive structural study of recombinant DHP B, both by itself and cocrystallized with isoenzyme A, using X-ray diffraction is presented. The structure of DHP B refined to 1.58 Å resolution exhibits the same distal histidine (His55) conformational flexibility as that observed in isoenzyme A, as well as additional changes to the distal and proximal hydrogen-bonding networks. Furthermore, preliminary characterization of the DHP AB heterodimer is presented, which exhibits differences in the AB interface that are not observed in the A-only or B-only homodimers. These structural investigations of DHP B provide insights that may relate to the mechanistic details of the H{sub 2}O{sub 2}-dependent oxidative dehalogenation reaction catalyzed by dehaloperoxidase, present a clearer description of the function of specific residues in DHP at the molecular level and lead to a better understanding of the paradigms of globin structure–function relationships.

  1. Structure of dehaloperoxidase B at 1.58 Å resolution and structural characterization of the AB dimer from Amphitrite ornata

    SciTech Connect

    de Serrano, Vesna; D; Antonio, Jennifer; Franzen, Stefan; Ghiladi, Reza A.

    2012-04-18

    As members of the globin superfamily, dehaloperoxidase (DHP) isoenzymes A and B from the marine annelid Amphitrite ornata possess hemoglobin function, but they also exhibit a biologically relevant peroxidase activity that is capable of converting 2,4,6-trihalophenols to the corresponding 2,6-dihaloquinones in the presence of hydrogen peroxide. Here, a comprehensive structural study of recombinant DHP B, both by itself and cocrystallized with isoenzyme A, using X-ray diffraction is presented. The structure of DHP B refined to 1.58 {angstrom} resolution exhibits the same distal histidine (His55) conformational flexibility as that observed in isoenzyme A, as well as additional changes to the distal and proximal hydrogen-bonding networks. Furthermore, preliminary characterization of the DHP AB heterodimer is presented, which exhibits differences in the AB interface that are not observed in the A-only or B-only homodimers. These structural investigations of DHP B provide insights that may relate to the mechanistic details of the H{sub 2}O{sub 2}-dependent oxidative dehalogenation reaction catalyzed by dehaloperoxidase, present a clearer description of the function of specific residues in DHP at the molecular level and lead to a better understanding of the paradigms of globin structure-function relationships.

  2. Details of the structure determination of the sulfated steroids PSDS and PADS: new components of the sea lamprey (petromyzon marinus) migratory pheromone.

    PubMed

    Hoye, Thomas R; Dvornikovs, Vadims; Fine, Jared M; Anderson, Kari R; Jeffrey, Christopher S; Muddiman, David C; Shao, Feng; Sorensen, Peter W; Wang, Jizhou

    2007-09-28

    The discovery of two new components of the migratory pheromone used by sea lamprey to guide adults to spawning grounds was recently reported. These hold promise for use in a pheromone-based control program for this species, an invasive pest in the Great Lakes. Details of the structure determination of these steroidal bis-sulfates [petromyzosterol disulfate (PSDS, 2) and petromyzonamine disulfate (PADS, 3)] are described here. Pattern matching of 1H NMR data was particularly valuable. This involved comparison of spectra of the natural samples of 2 and 3 with those of appropriate steroidal analogues [e.g., petromyzonol sulfate (PS, 1, a previously known sea lamprey bile acid derivative that is a third component of the migratory pheromone), cholesterol sulfate (6), and squalamine (8)] and model compounds containing the unprecedented aminolactam substructure present in 3. The logic underlying the iterative analyses used is presented. PMID:17718505

  3. [STRUCTURAL CHARACTERIZATION OF PLATELETS AND PLATELET-DERIVED MICROVESICLES].

    PubMed

    Ponomareva, A A; Nevzorova, T A; Mordakhanova, E R; Andrianova, I A; Litvinov, R I

    2016-01-01

    Platelets are the anucleated blood cells, wich together with the fibrin stop bleeding (hemostasis). Cellular microvesicles are membrane-surrounded microparticles released into extracellular space upon activation and/or apoptosis of various cells. Platelet-derived macrovesicles from the major population of circulating blood microparticles that play an important role in hemostasis and thrombosis. Despite numerous studies on the pathophysiology of platelet-derived macrovesicles, mechanisms of their formation and structural details remain poorly understood. Here we investigated the ultrastructure of parental platelets and platelet-derived microvesicles formed in vitro by quiescent cells as well as by cells stimulated with one of the following activators: arachidonic acid, ADP, thrombin, calcium ionophore A23187. Using transmission electron microscopy of human platelets and isolated microvesicles, we analyzed the intracellular origin, steps of formation, structural diversity, and size distributions of the subcellular particles. We have revealed that thrombin, unlike other stimuli, not only induced vesiculation of the plasma membrane but also caused break-up of the cells followed by formation of microparticles that are comparable with microvesicles by size. A fraction of these microparticles contained cellular organelles surrounded by a thin membrane. The size of platelet-derived macrovesicles varied from 30 nm to 500 nm, however, the size distributions depended on the nature of a cell-activating stimulus. The results obtained provide new information about the formation of platelet-derived macrovesicles and their structural diversity, wich is important to understand their multiple functions in normal and disease states. PMID:27228656

  4. Cryo-Electron Tomography for Structural Characterization of Macromolecular Complexes

    PubMed Central

    Cope, Julia; Heumann, John; Hoenger, Andreas

    2011-01-01

    Cryo-electron tomography (cryo-ET) is an emerging 3-D reconstruction technology that combines the principles of tomographic 3-D reconstruction with the unmatched structural preservation of biological material embedded in vitreous ice. Cryo-ET is particularly suited to investigating cell-biological samples and large macromolecular structures that are too polymorphic to be reconstructed by classical averaging-based 3-D reconstruction procedures. This unit aims to make cryo-ET accessible to newcomers and discusses the specialized equipment required, as well as the relevant advantages and hurdles associated with sample preparation by vitrification and cryo-ET. Protocols describe specimen preparation, data recording and 3-D data reconstruction for cryo-ET, with a special focus on macromolecular complexes. A step-by-step procedure for specimen vitrification by plunge freezing is provided, followed by the general practicalities of tilt-series acquisition for cryo-ET, including advice on how to select an area appropriate for acquiring a tilt series. A brief introduction to the underlying computational reconstruction principles applied in tomography is described, along with instructions for reconstructing a tomogram from cryo-tilt series data. Finally, a method is detailed for extracting small subvolumes containing identical macromolecular structures from tomograms for alignment and averaging as a means to increase the signal-to-noise ratio and eliminate missing wedge effects inherent in tomographic reconstructions. PMID:21842467

  5. Structural Implications of new Geologic Mapping and a Detailed Gravity Traverse in the Brooks Range Foothills, Chandler Lake Quadrangle, Northern Alaska

    NASA Astrophysics Data System (ADS)

    Peapples, P. R.; Saltus, R. W.; Swenson, R.; Brown, P. J.

    2005-12-01

    A fold and thrust belt in northern Alaska occupies the structural transition from the imbricate thrust sheets (or allochthons) of the Brooks Range to the North Slope coastal plain. Understanding this complexly deformed zone is critical to hydrocarbon assessment in the state-owned lands south of Prudhoe Bay. New geologic mapping and geophysical studies are focused on this important region. Detailed (1:63,360 scale) geologic mapping along the drainages of Tiglukpuk Creek and the Siksikpuk River documents exposures of deep structural levels and provides important constraints for a structural model of this region. A south-to-north structural transect encompasses the transition from the highly deformed thrust sheets of the Endicott Mountains Allochthon (EMA) at the mountain front to the inferred triangle zone at the Tuktu Escarpment 45 miles to the north. Mississippian Carbonates to Triassic siliciclastics make up the EMA north of the mountain front where there is an abrupt transition in structural style from north-vergent asymmetric overturned folding to gentle warping above shallowly dipping fault ramps. Tiglukpuk Anticline represents a fenster where the EMA is overlain in thrust contact by a melange of more distal Ipnavik River Allochthon (IRA) rocks. Parallel synclinoria contain the Okpikruak siliciclastics of the IRA assemblage and the Brookian syntectonic siliciclastics of the Fortress Mountain formation, carried atop the EMA thrust sheets during the latest phase of deformation. This complex structural style abruptly ends at the Tuktu Escarpment which likely represents a backthrust/triangle zone that places shallow north dipping coarse clastics of the Nanushuk Formation over the less competent and highly deformed Torok shale. The structural complexity and associated steeply dipping strata in the foothills belt were not well imaged by existing conventional seismic data in this region. To provide additional subsurface control, we collected ground station gravity

  6. Integral structural-functional method for characterizing microbial populations

    NASA Astrophysics Data System (ADS)

    Yakushev, A. V.

    2015-04-01

    An original integral structural-functional method has been proposed for characterizing microbial communities. The novelty of the approach is the in situ study of microorganisms based on the growth kinetics of microbial associations in liquid nutrient broth media under selective conditions rather than on the level of taxa or large functional groups. The method involves the analysis of the integral growth model of a periodic culture. The kinetic parameters of such associations reflect their capacity of growing on different media, i.e., their physiological diversity, and the metabolic capacity of the microorganisms for growth on a nutrient medium. Therefore, the obtained parameters are determined by the features of the microbial ecological strategies. The inoculation of a dense medium from the original inoculate allows characterizing the taxonomic composition of the dominants in the soil community. The inoculation from the associations developed on selective media characterizes the composition of syntrophic groups, which fulfill a specific function in nature. This method is of greater information value than the classical methods of inoculation on selective media.

  7. The electronic structure and second-order nonlinear optical properties of donor-acceptor acetylenes - A detailed investigation of structure-property relationships

    NASA Technical Reports Server (NTRS)

    Stiegman, A. E.; Graham, Eva; Khundkar, Lutfur R.; Perry, Joseph W.; Cheng, L.-T.; Perry, Kelly J.

    1991-01-01

    A series of donor-acceptor acetylene compounds was synthesized in which systematic changes in both the conjugation length and the donor-acceptor strength were made. The effect of these structural changes on the spectroscopic and electronic properties of the molecules and, ultimately, on the measured second-order molecular hyperpolarizabilities (beta) was investigated. It was found that increases in the donor-acceptor strength resulted in increases in the magnitude of beta. For this class of molecules, the increase is dominated by the energy of the intramolecular charge-transfer transition, while factors such as the ground to excited-state dipole moment change and the transition-moment integral are much less important. Increasing the conjugation length from one to two acetylene linkers did not result in an increase in the value of beta; however, beta increased sharply in going from two acetylenes to three. This increase is attributed to the superposition of several nearly isoenergetic excited states.

  8. Amyloid oligomer structure characterization from simulations: A general method

    SciTech Connect

    Nguyen, Phuong H.; Li, Mai Suan

    2014-03-07

    Amyloid oligomers and plaques are composed of multiple chemically identical proteins. Therefore, one of the first fundamental problems in the characterization of structures from simulations is the treatment of the degeneracy, i.e., the permutation of the molecules. Second, the intramolecular and intermolecular degrees of freedom of the various molecules must be taken into account. Currently, the well-known dihedral principal component analysis method only considers the intramolecular degrees of freedom, and other methods employing collective variables can only describe intermolecular degrees of freedom at the global level. With this in mind, we propose a general method that identifies all the structures accurately. The basis idea is that the intramolecular and intermolecular states are described in terms of combinations of single-molecule and double-molecule states, respectively, and the overall structures of oligomers are the product basis of the intramolecular and intermolecular states. This way, the degeneracy is automatically avoided. The method is illustrated on the conformational ensemble of the tetramer of the Alzheimer's peptide Aβ{sub 9−40}, resulting from two atomistic molecular dynamics simulations in explicit solvent, each of 200 ns, starting from two distinct structures.

  9. Graphene Oxide: Synthesis, Characterization, Electronic Structure, and Applications

    NASA Astrophysics Data System (ADS)

    Stewart, Derek A.; Mkhoyan, K. Andre

    While graphite oxide was first identified in 1855 [1, 2], the recent discovery of stable graphene sheets has led to renewed interest in the chemical structure and potential applications of graphene oxide sheets. These structures have several physical properties that could aid in the large scale development of a graphene electronics industry. Depending on the degree of oxidization, graphene oxide layers can be either semiconducting or insulating and provide an important complement to metallic graphene layers. In addition, the electronic and optical properties of these films can be controlled by the selective removal or addition of oxygen. For example, selective oxidationof graphene sheets could lead to electronic circuit fabrication on the scale of a single atomic layer. Graphene oxide is also dispersible in water and other solvents and this provides a facile route for graphene deposition on a wide range of substrates for macroelectronics applications. Although graphite oxide has been known for roughly 150 years, key questions remain in regards to its chemical structure, electronic properties, and fabrication. Answering these issues has taken on special urgency with the development of graphene electronics. In this chapter, we will provide an overview of the field with special focus on synthesis, characterization, and first principles analysis of bonding and electronic structures. Finally, we will also address some of the most promising applications for graphene oxide in electronics and other industries.

  10. Characterization of the B/Si surface electronic structures

    SciTech Connect

    Cao, R.; Yang, X.; Pianetta, P.

    1992-11-01

    High resolution angle resolved core level and valence band photoelectron spectroscopy have been used to characterize the electronic structures of the B/Si(111)-({radical}3 x {radical}3) surfaces. The results have been compared with theoretic calculations and other group III metals and Si terminated Si(111) surfaces that share the same type of surface reconstruction. We have observed a structure evolution from B-T{sub 4} to B-S{sub 5} and finally to Si- T{sub 4} as deposited boron atoms diffuse into the substrate with increasing annealing temperature. The chemically shifted component appearing in the Si 2p core level spectrum is attributed to charge transfer from the top layer Si and Si adatoms to the sublayer B-S{sub 5} atoms. For the Si/Si(111)-({radical}3 {times} {radical}3) surface, a newly discovered chemically shifted component is associated with back bond formation between the Si adatoms and the underneath Si atoms. A new emission feature has been observed in the valence band spectra unique to the B/Si(111)-({radical}3 {times} {radical}3) surface with B-S{sub 5} configuration. Thin Ge layer growth on this structure has also been performed, and we found that no epitaxial growth could be achieved and the underneath structure was little disturbed.

  11. Cloning, expression, and preliminary structural characterization of RTN-1C

    SciTech Connect

    Fazi, Barbara; Melino, Sonia; Sano, Federica Di; Cicero, Daniel O.; Piacentini, Mauro . E-mail: mauro.piacentini@uniroma2.it; Paci, Maurizio

    2006-04-14

    Reticulons (RTNs) are endoplasmic reticulum-associated proteins widely distributed in plants, yeast, and animals. They are characterized by unique N-terminal parts and a common 200 amino acid C-terminal domain containing two long hydrophobic sequences. Despite their implication in many cellular processes, their molecular structure and function are still largely unknown. In this study, the reticulon family member RTN-1C has been expressed and purified in Escherichia coli and its molecular structure has been analysed by fluorescence and CD spectroscopy in different detergents in order to obtain a good solubility and a relative stability. The isotopically enriched protein has been also produced to perform structural studies by NMR spectroscopy. The preliminary results obtained showed that RTN-1C protein possesses helical transmembrane segments when a membrane-like environment is produced by detergents. Moreover, fluorescence experiments indicated the exposure of tryptophan side chains as predicted by structure prediction programs. We also produced the isotopically labelled protein and the procedure adopted allowed us to plan future NMR studies to investigate the biochemical behaviour of reticulon-1C and of its peptides spanning out from the membrane.

  12. Photogrammetric detection technique for rotor blades structural characterization

    NASA Astrophysics Data System (ADS)

    Enei, C.; Bernardini, G.; Serafini, J.; Mattioni, L.; Ficuciello, C.; Vezzari, V.

    2015-11-01

    This paper describes an innovative use of photogrammetric detection techniques to experimentally estimate structural/inertial properties of helicopter rotor blades. The identification algorithms for the evaluation of mass and flexural stiffness distributions are an extension of the ones proposed by Larsen, whereas the procedure for torsional properties determination (stiffness and shear center position) is based on the Euler-Prandtl beam theory. These algorithms rely on measurements performed through photogrammetric detection, which requires the collection of digital photos allowing the identification of 3D coordinates of labeled points (markers) on the structure through the correlation of 2D pictures. The displacements are evaluated by comparing the positions of markers in loaded and reference configuration. Being the applied loads known, the structural characteristics can be directly obtained from the measured displacements. The accuracy of the proposed identification algorithms has been firstly verified by comparison with numerical and experimental data, and then applied to the structural characterization of two main rotor blades, designed for ultra-light helicopter applications.

  13. Detailed structure of the Philippine Sea plate subducting along the Nankai Trough, western Japan, inferred from high-frequency seismic wave analysis

    NASA Astrophysics Data System (ADS)

    Furumura, T.; Padhy, S.; Maeda, T.

    2012-12-01

    A detailed structure of the subducting Philippine Sea plate (PHP) along the Nankai trough in western Japan was studied by analyzing waveforms recorded at dense Hi-net stations in Japan. It is well recognized that the waveforms from intraplate earthquakes dominate in high-frequency (f >1 Hz) signals due to the waveguide effect of the subducting slab (Furumura and Kennett, 2005; 2008). This results in distorted pattern of intensity and peak ground acceleration (PGA) above the hypocenter with a substantial elongation of isoseismic contours correlated with the configuration of the isodepth contours of the subducting PHP beneath western Japan. A detailed analysis of the dense Hi-net waveform data from the intermediate-depth PHP event shows that the high-frequency S-wave signals suddenly disappear as the waves propagate the zone away from the Kii Channel to the boundary of Hyogo and Okayama prefectures and large S-to-P conversion occurs before the arrival of S-wave. Such anomalies do not occur for shallow and deep earthquakes occurring outside the PHP. These observations support the recent debate on the complexities of the configuration of the PHP subducting beneath western Japan such as that shown by Shiomi et al. (2008) based on receiver function images and the PHP-split model beneath the Kii channel shown by Ide et al.(2010) based on the analysis of comprehensive geophysical data. In order to explain the observations associated with sudden lateral change in the PHP structure, we conducted finite difference method (FDM) simulations of seismic wave propagation taking the detailed PHP model into account. It is confirmed that high-frequency guided wave energy decouple from waveguide where the shape of the PHP is suddenly deformed, which results in dramatic attenuation of high-frequency signals associating with large S-to-P conversions developed at sharp plate boundary. The present results also support the recently proposed complicated PHP-split model, however, further

  14. Optical characterization of vitreous structure in health and disease

    NASA Astrophysics Data System (ADS)

    Sampathkumar, Ashwin; Khoshnevis, Matin; Ketterling, Jeffrey A.; Sebag, J.

    2015-03-01

    Patients with myopic vitreopathy (MV) and posterior vitreous detachment (PVD) see floaters, which often can degrade contrast sensitivity to a significant extent. The floaters are associated with irregularly shaped vitreous opacities. In contrast, asteroid hyalosis (AH), which is characterized by microscopic, spherical, white asteroid bodies (ABs) that move with vitreous displacement during eye movements, does not interfere significantly with vision. We hypothesize that the irregular surface of vitreous opacities associated with MV distinguish MV from AH and its smooth-surfaced ABs. A finite-element model was developed to characterize the light-scattering field of vitreous opacities in MV and AH. Vitreous opacities were modeled as spherical bodies and illuminated by a plane wave of light in the optical wavelength of 400-1000 nm. The model has provisions to add random perturbations to the spherical surfaces to vary light-scattering properties and mimic disturbances in vision from simple diffraction rings to more-complex patterns. Samples of ex vivo porcine vitreous (0.4-0.5 ml) were placed in a custom spectrophotometer and the static, light-scattering field of the sample was measured in the spectral range of 400-1000 nm with a resolution of 0.3 nm. Model solutions mimicking healthy vitreous and AH were experimentally validated using a laboratory optical apparatus. Model-based estimates of scattering cross-sections of calibrated gold nanoparticles were found to be in good agreement with experimental measurements. Simulation results potentially can complement experimental data to quantitatively characterize vitreous opacities and distinguish between structures that significantly impact vision, such as those due to myopic vitreopathy and aging, from those that have little impact, like ABs. Such techniques to determine the structural significance of vitreous opacification would be very useful in selecting patients for surgery as well as evaluating the efficacy of

  15. The first crystal structure of a dTTP-bound deoxycytidylate deaminase validates and details the allosteric-inhibitor binding site.

    PubMed

    Marx, Ailie; Alian, Akram

    2015-01-01

    Deoxycytidylate deaminase is unique within the zinc-dependent cytidine deaminase family as being allosterically regulated, activated by dCTP, and inhibited by dTTP. Here we present the first crystal structure of a dTTP-bound deoxycytidylate deaminase from the bacteriophage S-TIM5, confirming that this inhibitor binds to the same site as the dCTP activator. The molecular details of this structure, complemented by structures apo- and dCMP-bound, provide insights into the allosteric mechanism. Although the positioning of the nucleoside moiety of dTTP is almost identical to that previously described for dCTP, protonation of N3 in deoxythymidine and not deoxycytidine would facilitate hydrogen bonding of dTTP but not dCTP and may result in a higher affinity of dTTP to the allosteric site conferring its inhibitory activity. Further the functional group on C4 (O in dTTP and NH2 in dCTP) makes interactions with nonconserved protein residues preceding the allosteric motif, and the relative strength of binding to these residues appears to correspond to the potency of dTTP inhibition. The active sites of these structures are also uniquely occupied by dTMP and dCMP resolving aspects of substrate specificity. The methyl group of dTMP apparently clashes with a highly conserved tyrosine residue, preventing the formation of a correct base stacking shown to be imperative for deamination activity. The relevance of these findings to the wider zinc-dependent cytidine deaminase family is also discussed. PMID:25404739

  16. The First Crystal Structure of a dTTP-bound Deoxycytidylate Deaminase Validates and Details the Allosteric-Inhibitor Binding Site*

    PubMed Central

    Marx, Ailie; Alian, Akram

    2015-01-01

    Deoxycytidylate deaminase is unique within the zinc-dependent cytidine deaminase family as being allosterically regulated, activated by dCTP, and inhibited by dTTP. Here we present the first crystal structure of a dTTP-bound deoxycytidylate deaminase from the bacteriophage S-TIM5, confirming that this inhibitor binds to the same site as the dCTP activator. The molecular details of this structure, complemented by structures apo- and dCMP-bound, provide insights into the allosteric mechanism. Although the positioning of the nucleoside moiety of dTTP is almost identical to that previously described for dCTP, protonation of N3 in deoxythymidine and not deoxycytidine would facilitate hydrogen bonding of dTTP but not dCTP and may result in a higher affinity of dTTP to the allosteric site conferring its inhibitory activity. Further the functional group on C4 (O in dTTP and NH2 in dCTP) makes interactions with nonconserved protein residues preceding the allosteric motif, and the relative strength of binding to these residues appears to correspond to the potency of dTTP inhibition. The active sites of these structures are also uniquely occupied by dTMP and dCMP resolving aspects of substrate specificity. The methyl group of dTMP apparently clashes with a highly conserved tyrosine residue, preventing the formation of a correct base stacking shown to be imperative for deamination activity. The relevance of these findings to the wider zinc-dependent cytidine deaminase family is also discussed. PMID:25404739

  17. Pyroxene Spectroscopy: Remote Characterization of Composition, Structure and Thermal History

    NASA Astrophysics Data System (ADS)

    Klima, Rachel L.; Dyar, Darby; Glotch, Timothy; Lane, Melissa

    2014-11-01

    Pyroxene is one of the most commonly used minerals for remote analysis of mineralogy and composition of planetary bodies. This is in part due to the prevalence of pyroxene on the surfaces of objects in the inner solar system. Pyroxene also exhibits a distinctive spectrum that is highly sensitive to its specific composition, structure, and cation site occupancy. Cation ordering, which is partially a result of the cooling history of a pyroxene, affects the strengths of absorptions caused by Fe2+ in the M1 and M2 cation sites, which in turn affects the relative band 1 and band 2 areas. Terrestrial pyroxenes are generally quite well-ordered, as many have been exposed to and held for long times at temperatures warm enough to allow cations to exchange between the M1 and M2 sites. Extraterrestrial pyroxenes have been exposed to a vast array of cooling regimes, including flash heating and cooling in the protoplanetary disk, impact brecciation and melting, and more traditional igneous processes.To push pyroxene spectroscopy beyond simple mineral identification and develop it as a tool for characterizing the thermal history of a body, we have been working to characterize and document the crystal chemistry, structure, and site occupancies of a suite of 91 synthetic pyroxenes. This is accomplished by measuring single-crystal XRD, Attenuated Total Reflectance (ATR) and electron probe microanalysis (EMP), variable-temperature Mössbauer and Raman spectra. For each of the samples, visible-far IR spectra have also been collected. We will present the results of this integrated study, focusing on how the crystal structure, composition and site occupancy in pyroxenes is reflected in their visible-infrared spectra and how they can be used to evaluate the thermal history of asteroids and the Moon.

  18. Function Discovery and Structural Characterization of a Methylphosphonate Esterase

    SciTech Connect

    Xiang, Dao Feng; Patskovsky, Yury; Nemmara, Venkatesh V.; Toro, Rafael; Almo, Steven C.; Raushel, Frank M.

    2015-05-12

    Pmi1525, an enzyme of unknown function from Proteus mirabilis HI4320 and the amidohydrolase superfamily, was cloned, purified to homogeneity, and functionally characterized. The three-dimensional structure of Pmi1525 was determined with zinc and cacodylate bound in the active site (PDB id: 3RHG). We also determined the structure with manganese and butyrate in the active site (PDB id: 4QSF). Pmi1525 folds as a distorted (β/α)8-barrel that is typical for members of the amidohydrolase superfamily and cog1735. Moreover, the substrate profile for Pmi1525 was determined via a strategy that marshaled the utilization of bioinformatics, structural characterization, and focused library screening. The protein was found to efficiently catalyze the hydrolysis of organophosphonate and carboxylate esters. The best substrates identified for Pmi1525 are ethyl 4-nitrophenylmethyl phosphonate (kcat and kcat /Km values of 580 s–1 and 1.2 × 105 M–1 s–1, respectively) and 4-nitrophenyl butyrate (kcat and kcat /Km values of 140 s–1 and 1.4 × 105 M–1 s–1, respectively). Pmi1525 is stereoselective for the hydrolysis of chiral methylphosphonate esters. The enzyme hydrolyzes the (SP)-enantiomer of isobutyl 4-nitrophenyl methylphosphonate 14 times faster than the corresponding (RP)-enantiomer. The catalytic properties of this enzyme make it an attractive template for the evolution of novel enzymes for the detection, destruction, and detoxification of organophosphonate nerve agents.

  19. ZnO Nanoporous Structure Growth, Optical and Structural Characterization by Aqueous Solution Route

    NASA Astrophysics Data System (ADS)

    Kashif, M.; Ali, Syed M. Usman; Foo, K. L.; Hashim, U.; Willander, Magnus

    2011-05-01

    In this study, we have demonstrated the structural and optical characterization of ZnO nanoporous structure grown on gold coated plastic substrate using low temperature aqueous chemical growth (ACG) technique and the annealing temperature was kept at 150° C. ZnO nanoporous structures were fabricated using hydrolysis process by reacting zinc acetate dehydrate with anhydrous ethanol. The crystalline morphology of ZnO nanoporous structures were investigated by using X-ray diffraction (XRD), surface morphology was observed by field emission scanning electron microscope (FESEM). The optical characteristics of ZnO nanoporous structures were investigated at room temperature, PL was observed using UV-Vis Spectrophotometer and the chemical composition is analyzed using Fourier Transform Infra-Red spectrometer (FTIR).

  20. Structural dynamic characterization of a vehicle seat coupled with human occupant

    NASA Astrophysics Data System (ADS)

    Lo, Leon; Fard, Mohammad; Subic, Aleksandar; Jazar, Reza

    2013-02-01

    Predicting the responses of the combined human body-seat structure to vibration excitation is still a challenging task. This is mainly due to the complex dynamics behaviour of the seated human body in response to vibration. It is however essential to characterize and predict the critical frequencies and the corresponding vibration patterns of the seat when it is coupled with a human occupant. This study provides important knowledge to predict the structural resonant frequencies and corresponding vibration mode shapes of the vehicle seat coupled with occupant from the seat alone or seat bare-frame (seat without foam cushion). An experiment is designed to measure the frequency responses, resonant frequencies, and corresponding mode shapes of the three different selected vehicle seats when mounted on the test rig. Six volunteers have participated in the experiments. The experiment data for each of the seats were collected for the seat bare-frames, seat alone (seat with foam cushion), and seat with human occupant. The results indicate that the vehicle seat bare-frame, seat alone, and seat with occupant have similar main seatback lateral, seatback fore-aft, and seat twisting structural resonant frequencies below 80 Hz. The coupling of the seated human body with the seat shows that the human occupant is not adding any new structural resonant frequency or mode shape to the seat below 80 Hz. It is therefore possible to characterize and predict the key vibration attributes such as occupied seat structural resonant frequencies and mode shapes from their corresponding unoccupied seat or bare frame characteristics. This alleviates the need for complex modelling or detailed analysis of the human body structure itself.

  1. Structural, Mechanistic, and Antigenic Characterization of the Human Astrovirus Capsid

    PubMed Central

    York, Royce L.; Yousefi, Payam A.; Bogdanoff, Walter; Haile, Sara; Tripathi, Sarvind

    2015-01-01

    ABSTRACT Human astroviruses (HAstVs) are nonenveloped, positive-sense, single-stranded RNA viruses that are a leading cause of viral gastroenteritis. HAstV particles display T=3 icosahedral symmetry formed by 180 copies of the capsid protein (CP), which undergoes proteolytic maturation to generate infectious HAstV particles. Little is known about the molecular features that govern HAstV particle assembly, maturation, infectivity, and immunogenicity. Here we report the crystal structures of the two main structural domains of the HAstV CP: the core domain at 2.60-Å resolution and the spike domain at 0.95-Å resolution. Fitting of these structures into the previously determined 25-Å-resolution electron cryomicroscopy density maps of HAstV allowed us to characterize the molecular features on the surfaces of immature and mature T=3 HAstV particles. The highly electropositive inner surface of HAstV supports a model in which interaction of the HAstV CP core with viral RNA is a driving force in T=3 HAstV particle formation. Additionally, mapping of conserved residues onto the HAstV CP core and spike domains in the context of the immature and mature HAstV particles revealed dramatic changes to the exposure of conserved residues during virus maturation. Indeed, we show that antibodies raised against mature HAstV have reactivity to both the HAstV CP core and spike domains, revealing for the first time that the CP core domain is antigenic. Together, these data provide new molecular insights into HAstV that have practical applications for the development of vaccines and antiviral therapies. IMPORTANCE Astroviruses are a leading cause of viral diarrhea in young children, immunocompromised individuals, and the elderly. Despite the prevalence of astroviruses, little is known at the molecular level about how the astrovirus particle assembles and is converted into an infectious, mature virus. In this paper, we describe the high-resolution structures of the two main astrovirus

  2. Structural and biochemical characterization of a halophilic archaeal alkaline phosphatase.

    PubMed

    Wende, Andy; Johansson, Patrik; Vollrath, Ronnald; Dyall-Smith, Mike; Oesterhelt, Dieter; Grininger, Martin

    2010-07-01

    Phosphate is an essential component of all cells that must be taken up from the environment. Prokaryotes commonly secrete alkaline phosphatases (APs) to recruit phosphate from organic compounds by hydrolysis. In this study, the AP from Halobacterium salinarum, an archaeon that lives in a saturated salt environment, has been functionally and structurally characterized. The core fold and the active-site architecture of the H. salinarum enzyme are similar to other AP structures. These generally form dimers composed of dominant beta-sheet structures sandwiched by alpha-helices and have well-accessible active sites. The surface of the enzyme is predicted to be highly negatively charged, like other proteins of extreme halophiles. In addition to the conserved core, most APs contain a crown domain that strongly varies within species. In the H. salinarum AP, the crown domain is made of an acyl-carrier-protein-like fold. Different from other APs, it is not involved in dimer formation. We compare the archaeal AP with its bacterial and eukaryotic counterparts, and we focus on the role of crown domains in enhancing protein stability, regulating enzyme function, and guiding phosphoesters into the active-site funnel. PMID:20438737

  3. Biochemical and structural characterization of Cryptosporidium parvum Lactate dehydrogenase.

    PubMed

    Cook, William J; Senkovich, Olga; Hernandez, Agustin; Speed, Haley; Chattopadhyay, Debasish

    2015-03-01

    The protozoan parasite Cryptosporidium parvum causes waterborne diseases worldwide. There is no effective therapy for C. parvum infection. The parasite depends mainly on glycolysis for energy production. Lactate dehydrogenase is a major regulator of glycolysis. This paper describes the biochemical characterization of C. parvum lactate dehydrogenase and high resolution crystal structures of the apo-enzyme and four ternary complexes. The ternary complexes capture the enzyme bound to NAD/NADH or its 3-acetylpyridine analog in the cofactor binding pocket, while the substrate binding site is occupied by one of the following ligands: lactate, pyruvate or oxamate. The results reveal distinctive features of the parasitic enzyme. For example, C. parvum lactate dehydrogenase prefers the acetylpyridine analog of NADH as a cofactor. Moreover, it is slightly less sensitive to gossypol inhibition compared with mammalian lactate dehydrogenases and not inhibited by excess pyruvate. The active site loop and the antigenic loop in C. parvum lactate dehydrogenase are considerably different from those in the human counterpart. Structural features and enzymatic properties of C. parvum lactate dehydrogenase are similar to enzymes from related parasites. Structural comparison with malate dehydrogenase supports a common ancestry for the two genes. PMID:25542170

  4. A structural framework for anomalous change detection and characterization

    SciTech Connect

    Prasad, Lakshman; Theiler, James P

    2009-01-01

    We present a spatially adaptive scheme for automatically searching a pair of images of a scene for unusual and interesting changes. Our motivation is to bring into play structural aspects of image features alongside the spectral attributes used for anomalous change detection (ACD). We leverage a small but informative subset of pixels, namely edge pixels of the images, as anchor points of a Delaunay triangulation to jointly decompose the images into a set of triangular regions, called trixels, which are spectrally uniform. Such decomposition helps in image regularization by simple-function approximation on a feature-adaptive grid. Applying ACD to this trixel grid instead of pixels offers several advantages. It allows: (1) edge-preserving smoothing of images, (2) speed-up of spatial computations by significantly reducing the representation of the images, and (3) the easy recovery of structure of the detected anomalous changes by associating anomalous trixels with polygonal image features. The latter facility further enables the application of shape-theoretic criteria and algorithms to characterize the changes and recognize them as interesting or not. This incorporation of spatial information has the potential to filter out some spurious changes, such as due to parallax, shadows, and misregistration, by identifying and filtering out those that are structurally similar and spatially pervasive. Our framework supports the joint spatial and spectral analysis of images, potentially enabling the design of more robust ACD algorithms.

  5. Characterization of electronic structure of periodically strained graphene

    DOE PAGESBeta

    Aslani, Marjan; Garner, C. Michael; Kumar, Suhas; Nordlund, Dennis; Pianetta, Piero; Nishi, Yoshio

    2015-11-03

    We induced periodic biaxial tensile strain in polycrystalline graphene by wrapping it over a substrate with repeating pillar-like structures with a periodicity of 600 nm. Using Raman spectroscopy, we determined to have introduced biaxial strains in graphene in the range of 0.4% to 0.7%. Its band structure was characterized using photoemission from valance bands, shifts in the secondary electron emission, and x-ray absorption from the carbon 1s levels to the unoccupied graphene conduction bands. It was observed that relative to unstrained graphene, strained graphene had a higher work function and higher density of states in the valence and conduction bands.more » Furthermore, we measured the conductivity of the strained and unstrained graphene in response to a gate voltage and correlated the changes in their behavior to the changes in the electronic structure. From these sets of data, we propose a simple band diagram representing graphene with periodic biaxial strain.« less

  6. Statistical characterization of complex object structure by dynamic tomography

    NASA Astrophysics Data System (ADS)

    Tillack, Gerd-Rüdiger; Goebbels, Jürgen; Illerhaus, Bernhard; Artemiev, Valentin; Naumov, Alexander

    2002-05-01

    Considering modern materials like reinforced plastics or metal foams the mechanical properties of the component are not determined by every single structural element like a single fiber in a composite. Moreover the ensemble mean and correlation properties of all structural elements form the mechanical properties of the component. Accordingly a statistical description of material properties on a macroscopic scale allow to characterize its mechanical behavior or aging. State of the art tomographic techniques assign a measure of material properties to a volume element. The discretization, i.e., the volume or size of a single element, is limited mainly by the physical mechanisms and the equipment used for the data acquisition. In any case the result of reconstruction yields a statistical average within the considered volume element. To evaluate the integrity of the component the determined measures have to be correlated with the mechanical properties of the component. Special reconstruction algorithms are investigated that allow the statistical description of complex object structures including its dynamics. The algorithm is based on the Kalman filter using statistical prior. The prior includes knowledge about the covariance matrix as well as a prior assumption about the probability density distribution function. The resulting algorithm is recursive yielding a quasi-optimal solution at every reconstruction step. The applicability of the developed algorithm is discussed for the investigation of a specimen made from aluminum foam.

  7. Investigation of detailed spatial structure of the Moscow urban heat island with application of the newest meteorological observations and regional climate modelling

    NASA Astrophysics Data System (ADS)

    Varentsov, Mikhail; Pavel, Konstantinov; Timofey, Samsonov

    2016-04-01

    During the last years, the network of metrological observation in Moscow megacity and its neighborhoods, forming the biggest urban agglomeration in Europe, was significantly extended. Several new weather stations and completely new dense network of air-quality monitoring appears during the last decade. In addition, several microwave meteorological profilers MTP 5, which are available to measure temperature at the heights from 0 to 1000 meters with 50-m resolution, were installed in the city and its surrounding. All these measurements allow revealing undiscovered features of Moscow urban climate and urban heat island (UHI). In our research, bases on this data, we covered several topics related to urban climatology: - Investigation of detailed spatial structure of Moscow UHI and its relationships with building features, such as land use and morphology of the street canyons, obtained by GIS-algorithms according (Samsonov et. al, 2015); - Investigation of three-dimensional structure of the UHI, including its vertical extend and influence on the stratification of the atmosphere, and three-dimensional structure of the urban heat island advection and urban heat plumes; - Application of the newest data for validation of the regional climate model COSMO-CLM, coupled with TEB urban scheme (Masson, 2000; Trusilova et. al., 2013), launched for Moscow region with 1-km spatial resolution. References: 1. Masson V. A. Physically-Based Scheme for the Urban Energy Budget in Atmospheric models. Bound. Layer Meteor. 2000. V. 94 (3). P. 357-397. 2. Trusilova K., Früh B., Brienen S., Walter A., Masson V., Pigeon G., Becker P. Implementation of an Urban Parameterization Scheme into the Regional Climate Model COSMO-CLM. J. Appl. Meteor. Climatol. V. 52. P. 2296-2311. 3. Samsonov T.E., Konstantinov P.I., Varentsov M.I. Object-oriented approach to urban canyon analysis and its applications in meteorological modeling. Urban Climate. 2015. Vol. 13. P. 122-139.

  8. Structural Controls of the MacFarlane Geothermal System, Humboldt County, Nevada: New Insights Based on Detailed Geologic Mapping, Shallow Temperature Surveys, and Magnetic Data

    NASA Astrophysics Data System (ADS)

    Kraushaar, Sabina M.

    Detailed geologic mapping, structural analysis, magnetic and two-meter temperature data, integrated with previous datasets, constrain the structural controls of the MacFarlane geothermal system. MacFarlane hot springs and the travertine fissure ridges lie within a relay ramp. The relay ramp is formed between two overlapping, north-northeast-striking, west-dipping Holocene normal faults exposed in Lake Lahontan sediments. Other mapped faults near the hot spring include a north-striking, west-dipping Tertiary fault east of MacFarlane hot springs. The highest temperature gradient is found at the projected intersection between the Tertiary and north-northeast-striking Quaternary fault, ˜2.5 km northeast of the hot spring (Sibbett et al., 1982; Swanberg and Bowers, 1982). Our new data suggest other controls involving the relay ramp geometry of the Holocene faults. The anomalous orientation of the travertine fissure ridge motivated this study of the structural controls of the geothermal system. MacFarlane hot spring is located on the eastern margin of the Black Rock Desert, ˜85 km west of Winnemucca, in Humboldt County, Nevada. The active hot spring emerges from the west end of an east-trending travertine fissure ridge, which is ˜180 m long. The travertine fissure ridge is up to ˜2 m tall and ˜5 m wide, and has a central fissure along its long axis. The orientation of the travertine fissure ridge indicates local north-south extension, which is inconsistent with the regional west-northwest extension of the northwestern Basin and Range province. The anomalous travertine orientation is due to fractures that occurred during formation of a relay ramp between two overlapping fault segments.

  9. Structural Characterization of a Monoclonal Antibody-Maytansinoid Immunoconjugate.

    PubMed

    Luo, Quanzhou; Chung, Hyo Helen; Borths, Christopher; Janson, Matthew; Wen, Jie; Joubert, Marisa K; Wypych, Jette

    2016-01-01

    Structural characterization was performed on an antibody-drug conjugate (ADC), composed of an IgG1 monoclonal antibody (mAb), mertansine drug (DM1), and a noncleavable linker. The DM1 molecules were conjugated through nonspecific modification of the mAb at solvent-exposed lysine residues. Due to the nature of the lysine conjugation process, the ADC molecules are heterogeneous, containing a range of species that differ with respect to the number of DM1 per antibody molecule. The DM1 distribution profile of the ADC was characterized by electrospray ionization mass spectrometry (ESI-MS) and capillary isoelectric focusing (cIEF), which showed that 0-8 DM1s were conjugated to an antibody molecule. By taking advantage of the high-quality MS/MS spectra and the accurate mass detection of diagnostic DM1 fragment ions generated from the higher-energy collisional dissociation (HCD) approach, we were able to identify 76 conjugation sites in the ADC, which covered approximately 83% of all the putative conjugation sites. The diagnostic DM1 fragment ions discovered in this study can be readily used for the characterization of other ADCs with maytansinoid derivatives as payload. Differential scanning calorimetric (DSC) analysis of the ADC indicated that the conjugation of DM1 destabilized the C(H)2 domain of the molecule, which is likely due to conjugation of DM1 on lysine residues in the C(H)2 domain. As a result, methionine at position 258 of the heavy chain, which is located in the C(H)2 domain of the antibody, is more susceptible to oxidation in thermally stressed ADC samples when compared to that of the naked antibody. PMID:26629796

  10. Isolation and structural characterization of chondroitin sulfate from bony fishes.

    PubMed

    Maccari, Francesca; Galeotti, Fabio; Volpi, Nicola

    2015-09-20

    Chondroitin sulfate (CS) was purified from the bones of common fishes, monkfish, cod, spiny dogfish, salmon and tuna, and characterized in an effort to find alternative sources and new peculiar structures of this complex biomacromolecule utilized in the pharmaceutical and nutraceutical industry. Quantitative analyses yielded a CS content ranging from 0.011% for cod up to 0.34% for monkfish. The disaccharide pattern showed the presence of nonsulfated disaccharide, monosulfated species ΔDi6s and ΔDi4s, and disulfated disaccharides in different percentages. The disulfated species ΔDi2,6dis was present in all CS extracts in a range of 1.3-10.5%. The presence of these disulfated disaccharides may be a useful marker for the marine origin of CS. The newly identified sources would certainly enable the production of CS with unique disaccharide composition and properties. PMID:26050899

  11. Facile chemical synthesis and structure characterization of copper molybdate nanoparticles

    NASA Astrophysics Data System (ADS)

    Rahimi-Nasrabadi, Mehdi; Pourmortazavi, Seied Mahdi; Khalilian-Shalamzari, Morteza

    2015-03-01

    Experimental parameters of a synthesis route were optimized by Taguchi robust design for the facile and controllable synthesis of copper molybdate nanoparticles. CuMoO4 nanoparticles were synthesized by chemical precipitation followed by hydrothermal process. Effects of different parameters of synthesis procedure, i.e. concentrations of both reagents, copper feeding flow rate and temperature of reactor on the particle size of prepared copper molybdate nanoparticles were investigated. The results of statistical optimization revealed that the size of copper molybdate particles is dependent on the procedure variables involving copper concentrations, flow rate and temperature of the reactor; while, molybdate concentration has a no considerable role in determining the size of CuMoO4 particles. Based on the results obtained by statistical optimization process, the nanoparticles of copper molybdate were prepared and then their structure and chemical composition were characterized by various techniques, i.e. SEM, TEM, XRD, EDX, FT-IR, UV-Vis and photoluminescence spectroscopy.

  12. Structural and functional characterization of enamel pigmentation in shrews.

    PubMed

    Dumont, M; Tütken, T; Kostka, A; Duarte, M J; Borodin, S

    2014-04-01

    Pigmented tooth enamel occurs in several vertebrate clades, ranging from mammals to fish. Although an iron compound is associated with this orange to red colored pigmentation, its chemical and structural organization within the enamel is unknown. To determine the nature of the iron compound, we investigated heavily pigmented teeth of the northern short-tailed shrew Blarina brevicauda using combined characterization techniques such as scanning and transmission electron microscopy and synchrotron X-ray diffraction. We found that the pigmentation of the enamel with an iron content of around 8wt% results from a close to amorphous magnetite phase deposited around the nm-sized enamel crystals. Furthermore, the influence of the pigmentation on the enamel hardness was determined by nanoindentation measurements. Finally, the biomechanical function and biological context are discussed in light of the obtained results. PMID:24556576

  13. Characterization of Thermal and Mechanical Impact on Aluminum Honeycomb Structures

    NASA Technical Reports Server (NTRS)

    Robinson, Christen M.

    2013-01-01

    This study supports NASA Kennedy Space Center's research in the area of intelligent thermal management systems and multifunctional thermal systems. This project addresses the evaluation of the mechanical and thermal properties of metallic cellular solid (MCS) materials; those that are lightweight; high strength, tunable, multifunctional and affordable. A portion of the work includes understanding the mechanical properties of honeycomb structured cellular solids upon impact testing under ambient, water-immersed, liquid nitrogen-cooled, and liquid nitrogen-immersed conditions. Additionally, this study will address characterization techniques of the aluminum honeycomb's ability to resist multiple high-rate loadings or impacts in varying environmental conditions, using various techniques for the quantitative and qualitative determination for commercial applicability.

  14. Fabrication, characterization, and optical properties of gold nanobowl submonolayer structures.

    PubMed

    Ye, Jian; Van Dorpe, Pol; Van Roy, Willem; Borghs, Gustaaf; Maes, Guido

    2009-02-01

    We report on a versatile method to fabricate hollow gold nanobowls and complex gold nanobowls (with a core) based on an ion milling and a vapor HF etching technique. Two different sized hollow gold nanobowls are fabricated by milling and etching submonolayers of gold nanoshells deposited on a substrate, and their sizes and morphologies are characterized by scanning electron microscopy (SEM) and atomic force microscopy (AFM). Optical properties of hollow gold nanobowls with different sizes are investigated experimentally and theoretically, showing highly tunable plasmon resonance ranging from the visible to the near-infrared region. Additionally, finite difference time domain (FDTD) calculations show an enhanced localized electromagnetic field around hollow gold nanobowl structures, which indicates a potential application in surface-enhanced Raman scattering (SERS) spectroscopy for biomolecular detection. Finally, we demonstrate the fabrication of complex gold nanobowls with a gold nanoparticle core which offers the capability to create plasmon hybridized nanostructures. PMID:19125593

  15. Fabrication, characterization, and application of microresonators and resonant structures

    NASA Astrophysics Data System (ADS)

    Cohoon, Gregory A.

    Optical resonators are structures that allow light to circulate and store energy for a duration of time. This work primarily looks at the fabrication, characterization, and application of whispering gallery mode microresonators and the analysis of organic photonic crystal-like structures and simulation of their resonant effects. Whispering gallery mode (WGM) microresonators are a class of cylindrically symmetric optical resonator which light circulates around the equator of the structure. These resonators are named after acoustic whispering galleries, where a whisper can be heard anywhere along the perimeter of a circular room. These optical structures are known for their ultra high Q-factor and their low mode volume. Q-factor describes the photon lifetime in the cavity and is responsible for the energy buildup within the cavity and sharp spectral characteristics of WGM resonators. The energy buildup is ideal for non-linear optics and the sharp spectral features are beneficial for sensing applications. Characterization of microbubble resonators is done by coupling light from a tunable laser source via tapered optical fiber into the cavity. The fabrication of quality tapered optical fiber on the order of 1--2 microm is critical to working on WGM resonators. The measurement of Q-factors up to 2x10 8 and mode spectra are possible with these resonators and experimental techniques. This work focuses on microdisk and microbubble WGM resonators. The microdisk resonators are fabricated by femtosecond laser micromachining. The micromachined resonators are fabricated by ablating rotating optical fiber to generate the disk shape and then heated to reflow the surface to improve optical quality. These resonators have a spares mode spectrum and display a Q factor as high a 2x106. The microbubble resonators are hollow microresonators fabricated by heating a pressurized capillary tube which forms a bubble in the area exposed to heat. These have a wall thickness of 2--5 microm and

  16. Structural characterization of macroscopic single-walled carbon nanotube materials

    NASA Astrophysics Data System (ADS)

    Zhou, Wei

    In this thesis, we studied the structural properties of macroscopic materials of single-walled carbon nanotubes (SWNTs) in the form of fibers, films and suspensions. We characterized the preferred orientations in partially aligned SWNT fibers and films, combining x-ray fiber diagram and polarized Raman scattering. Our texture model consists of an aligned fraction, characterized by the angular distribution width of tube axes, plus a completely unaligned fraction. For neat fibers extruded from SWNT/superacid suspensions through a small orifice, the distribution width and the aligned fraction both improve with decreasing orifice diameter. For magnetic field-aligned SWNT films deposited from surfactant suspensions, the aligning effects of deposition and external magnetic field force in the film plane are additive, the out-of-plane mosaic being narrower than the in-plane one. SWNTs dispersed in superacid or aqueous surfactant solutions are precursors for many applications. In oleum, SWNTs can be charged and protonated by H 2SO4 molecules. X-ray scattering indicates that H2SO 4 molecules align along nanotube axes to form cylindrical shells wrapped around nanotubes. This finding establishes the validity of a long-standing important but still debated physical chemistry concept, "structured solvent shells surrounding dissolved ions". Differential scanning calorimetry confirms that the partly ordered H2SO4 molecules are a new phase, with distinct freezing/melting behavior. X-ray scattering at low temperature further shows that crystallization of the bulk-like acid surrounding the structured shells is templated by the SWNTs. The specific orientation of the acid crystallites provides solid evidence for direct protonation of SWNT. We studied the morphologies of SWNT suspensions using small-angle neutron scattering. We observed rigid rod behavior from SWNTs dispersed in water using sodium dodecylbenzene sulfonate surfactant, suggesting that SWNTs exist mainly as individual tube

  17. Structural characterization of the interaction of human lactoferrin with calmodulin.

    PubMed

    Gifford, Jessica L; Ishida, Hiroaki; Vogel, Hans J

    2012-01-01

    Lactoferrin (Lf) is an 80 kDa, iron (Fe(3+))-binding immunoregulatory glycoprotein secreted into most exocrine fluids, found in high concentrations in colostrum and milk, and released from neutrophil secondary granules at sites of infection and inflammation. In a number of cell types, Lf is internalized through receptor-mediated endocytosis and targeted to the nucleus where it has been demonstrated to act as a transcriptional trans-activator. Here we characterize human Lf's interaction with calmodulin (CaM), a ubiquitous, 17 kDa regulatory calcium (Ca(2+))-binding protein localized in the cytoplasm and nucleus of activated cells. Due to the size of this intermolecular complex (∼100 kDa), TROSY-based NMR techniques were employed to structurally characterize Ca(2+)-CaM when bound to intact apo-Lf. Both CaM's backbone amides and the ε-methyl group of key methionine residues were used as probes in chemical shift perturbation and cross-saturation experiments to define the binding interface of apo-Lf on Ca(2+)-CaM. Unlike the collapsed conformation through which Ca(2+)-CaM binds the CaM-binding domains of its classical targets, Ca(2+)-CaM assumes an extended structure when bound to apo-Lf. Apo-Lf appears to interact predominantly with the C-terminal lobe of Ca(2+)-CaM, enabling the N-terminal lobe to potentially bind another target. Our use of intact apo-Lf has made possible the identification of a secondary interaction interface, removed from CaM's primary binding domain. Secondary interfaces play a key role in the target's response to CaM binding, highlighting the importance of studying intact complexes. This solution-based approach can be applied to study other regulatory calcium-binding EF-hand proteins in intact intermolecular complexes. PMID:23236421

  18. Characterization of natural photonic structures by means of optimization strategies

    NASA Astrophysics Data System (ADS)

    Macías, Demetrio; Vial, Alexandre; Luna, Ana; Skigin, Diana C.; Inchaussandague, Marina E.

    2015-03-01

    Natural photonic structures exhibit remarkable color effects such as metallic appearance and iridescence. A rigorous study of the electromagnetic response of such complex structures requires to accurately determine some of their relevant optical parameters, e.g. the dielectric constants of the materials involved. In a recent work, we have shown that heuristic optimization strategies are suitable tools for the retrieval of the complex refractive index of the materials comprising natural multilayer systems such as the Coleoptera's cuticle. Moreover, the numerical results obtained illustrate the great potential of this kind of algorithms not only for the study of natural photonic structures, but also for the design of biomimetic photonic devices for lightning, sensing or anti-counterfeiting applications. In a first stage, we assumed that the materials which comprise the layers are characterized by isotropic non-dispersive dielectric permittivities. However, it is well known that the cuticle of many Coleoptera exhibit anisotropy in their constituent materials, and also dispersion has been reported. In this contribution we improve our previous approach in order to have a more realistic and useful computational tool for the retrieval of the relevant parameters of biological structures. For this, we include, within the inversion algorithm, a dispersion model to describe the frequency-dependent dielectric permittivity of the layers' materials. Also, in order to guarantee the uniqueness of the solution and the convergence to the global optimum, we simultaneously include in the fitness function the information of several angles of incidence, as well as that of the p- and s-polarization states.

  19. Imaging and characterizing structure in Earth's deep interior

    NASA Astrophysics Data System (ADS)

    de Hoop, M. V.; van der Hilst, R. D.; Wang, P.; Tenorio, L.; Ma, P.

    2006-12-01

    We combine concepts from inverse scattering and statistics into an approach toward imaging and characterizing structure at and near interfaces in Earth's deep interior with large amounts of broad-band, three- component seismograms acquired by global seismograph networks. The retrieval of pertinent information requires few restrictive a priori assumptions about the structures of interest, which makes it complementary to forward modeling approaches. We discuss a generalized Radon transform admitting highly irregular source-receiver sampling to map broad-band seismogram windows -- comprising main arrivals with their coda and precursors -- into a set of multiple images of a target structure. The design of this transform is accomplished by a careful analysis of redundancy in the data. The `common image-point gathers' thus produced reveal multi-scale variations in acousto-elastic properties near interfaces and in boundary layers. Indeed, the image gathers admit a multi-resolution analysis of the discontinuities. Mixed-effects statistical modeling is used to turn these image gathers into quantitative singularity estimates and uncertainties. In this framework, random noise in the signal is separated into white and coherent components using the geometry of the imaging operators and a generalized cross-validation method, and uneven sampling and errors in the assumed background model are accounted for. As an example we present an application to imaging of the core mantle boundary. Finally, we address how beam forming through a phase-space transform can be integrated in the generalized Radon transform and applied, for example, to imaging of data from regional arrays. We elucidate the theory by synthetic data examples, and illustrate its performance by recently produced 3D images of D" revealing complex structure near the CMB with high levels of confidence.

  20. Structural Characterization of Myotoxic Ecarpholin S From Echis carinatus Venom

    SciTech Connect

    Zhou, X.; Tan, T; Valiyaveettil, S; Go, M; Kini, R; Velazquez-Campoy, A; Sivaraman, J

    2008-01-01

    Phospholipase A2 (PLA2), a common toxic component of snake venom, has been implicated in various pharmacological effects. Ecarpholin S, isolated from the venom of the snake Echis carinatus sochureki, is a phospholipase A2 (PLA2) belonging to the Ser49-PLA2 subgroup. It has been characterized as having low enzymatic but potent myotoxic activities. The crystal structures of native ecarpholin S and its complexes with lauric acid, and its inhibitor suramin, were elucidated. This is the first report of the structure of a member of the Ser49-PLA2 subgroup. We also examined interactions of ecarpholin S with phosphatidylglycerol and lauric acid, using surface plasmon resonance, and of suramin with isothermal titration calorimetry. Most Ca2+-dependent PLA2 enzymes have Asp in position 49, which plays a crucial role in Ca2+ binding. The three-dimensional structure of ecarpholin S reveals a unique conformation of the Ca2+-binding loop that is not favorable for Ca2+ coordination. Furthermore, the endogenously bound fatty acid (lauric acid) in the hydrophobic channel may also interrupt the catalytic cycle. These two observations may account for the low enzymatic activity of ecarpholin S, despite full retention of the catalytic machinery. These observations may also be applicable to other non-Asp49-PLA2 enzymes. The interaction of suramin in its complex with ecarpholin S is quite different from that reported for the Lys49-PLA2/suramin complex, where the interfacial recognition face (i-face), C-terminal region, and N-terminal region of ecarpholin S play important roles. This study provides significant structural and functional insights into the myotoxic activity of ecarpholin S and, in general, of non-Asp49-PLA2 enzymes.

  1. Alpine re-activation of pre-Alpine structures: details from a large-scale shear zone in the Aar massif (Central Alps)

    NASA Astrophysics Data System (ADS)

    Wehrens, Philip; Baumberger, Roland; Herwegh, Marco

    2013-04-01

    The Aar massif belongs to the external massifs of the Alps and is mainly composed of granitoids and gneisses. Post-Variscan granitoid rocks have intruded old gneisses belonging to the pre-Variscan basement. Despite numerous detailed studies in the past decades, the overall exhumation history and the associated massif internal deformation (internal strain distribution and its evolution in time, kinematics etc.) are largely unknown at present. In this project, we aim to investigate the role of shear zones in the deformation history at a variety of scales. In this context it is important to understand their microstructural evolution, the involved deformation processes, kinematics and relative ages as well as the associated changes in rheology. A detailed study was conducted along a major shear zone located at the southern margin of the Aar massif (running from Furka to Grimsel Pass and Oberaar Glacier), where the Grimsel Granodiorite (GrGr) is juxtapositioned to strongly foliated gneisses. Preliminary results show that a crenulation of these gneisses predates the age of the granitoid intrusion, meaning they must be older than 298 Ma. The crenulation and a related axial plane foliation (145/80°) define mechanical anisotropies within these Pre-Variscan rocks. The intruding granite has exploited these anisotropies a first time during its emplacement in post-Variscan times. The lithological boundary between the intruded GrGr and Pre-Variscan rocks causes strain again to localize during Alpine deformation and results in a 40 m wide large-scale shear zone. The older part of the shear zone shows cm-scale shear zones with vertical lineations shearing off the aforementioned pre-Alpine axial plane foliation. Hence the contact is reactivated, now as Alpine normal/ reverse fault, a second time. Towards the youngest parts of the shear zone the stretching lineation on the shear surfaces turns from vertical towards a subhorizontal position, indicating a change from initial vertical

  2. Characterization of structural relaxation in inorganic glasses using length dilatometry

    NASA Astrophysics Data System (ADS)

    Koontz, Erick

    The processes that govern how a glass relaxes towards its thermodynamic quasi-equilibrium state are major factors in understanding glass behavior near the glass transition region, as characterized by the glass transition temperature (Tg). Intrinsic glass properties such as specific volume, enthalpy, entropy, density, etc. are used to map the behavior of the glass network below in and near the transition region. The question of whether a true thermodynamic second order phase transition takes place in the glass transition region is another pending question. Linking viscosity behavior to entropy, or viewing the glass configuration as an energy landscape are just a couple of the most prevalent methods used for attempting to understand the glass transition. The structural relaxation behavior of inorganic glasses is important for more than scientific reasons, many commercial glass processing operations including glass melting and certain forms of optical fabrication include significant time spent in the glass transition region. For this reason knowledge of structural relaxation processes can, at a minimum, provide information for annealing duration of melt-quenched glasses. The development of a predictive model for annealing time prescription has the potential to save glass manufacturers significant time and money as well as increasing volume throughput. In optical hot forming processes such as precision glass molding, molded optical components can significantly change in shape upon cooling through the glass transition. This change in shape is not scientifically predictable as of yet though manufacturers typically use empirical rules developed in house. The classification of glass behavior in the glass transition region would allow molds to be accurately designed and save money for the producers. The work discussed in this dissertation is comprised of the development of a dilatometric measurement and characterization method of structural relaxation. The measurement and

  3. The criticality of high-resolution N-linked carbohydrate assays and detailed characterization of antibody effector function in the context of biosimilar development.

    PubMed

    Brady, Lowell J; Velayudhan, Jyoti; Visone, Devi B; Daugherty, Ken C; Bartron, Jeff L; Coon, Michael; Cornwall, Cabot; Hinckley, Peter J; Connell-Crowley, Lisa

    2015-01-01

    Accurate measurement and functional characterization of antibody Fc domain N-linked glycans is critical to successful biosimilar development. Here, we describe the application of methods to accurately quantify and characterize the N-linked glycans of 2 IgG1 biosimilars with effector function activity, and show the potential pitfalls of using assays with insufficient resolution. Accurate glycan assessment was combined with glycan enrichment using lectin chromatography or production with glycosylation inhibitors to produce enriched pools of key glycan species for subsequent assessment in cell-based antibody-dependent cell-mediated cytotoxicity and complement-dependent cytotoxicity effector function assays. This work highlights the challenges of developing high-quality biosimilar candidates and the need for modern biotechnology capabilities. These results show that high-quality analytics, combined with sensitive cell-based assays to study in vivo mechanisms of action, is an essential part of biosimilar development. PMID:25898160

  4. The criticality of high-resolution N-linked carbohydrate assays and detailed characterization of antibody effector function in the context of biosimilar development

    PubMed Central

    Brady, Lowell J; Velayudhan, Jyoti; Visone, Devi B; Daugherty, Ken C; Bartron, Jeff L; Coon, Michael; Cornwall, Cabot; Hinckley, Peter J; Connell-Crowley, Lisa

    2015-01-01

    Accurate measurement and functional characterization of antibody Fc domain N-linked glycans is critical to successful biosimilar development. Here, we describe the application of methods to accurately quantify and characterize the N-linked glycans of 2 IgG1 biosimilars with effector function activity, and show the potential pitfalls of using assays with insufficient resolution. Accurate glycan assessment was combined with glycan enrichment using lectin chromatography or production with glycosylation inhibitors to produce enriched pools of key glycan species for subsequent assessment in cell-based antibody-dependent cell-mediated cytotoxicity and complement-dependent cytotoxicity effector function assays. This work highlights the challenges of developing high-quality biosimilar candidates and the need for modern biotechnology capabilities. These results show that high-quality analytics, combined with sensitive cell-based assays to study in vivo mechanisms of action, is an essential part of biosimilar development. PMID:25898160

  5. Characterizing 3D Vegetation Structure from Space: Mission Requirements

    NASA Technical Reports Server (NTRS)

    Hall, Forrest G.; Bergen, Kathleen; Blair, James B.; Dubayah, Ralph; Houghton, Richard; Hurtt, George; Kellndorfer, Josef; Lefsky, Michael; Ranson, Jon; Saatchi, Sasan; Shugart, H. H.; Wickland, Diane

    2012-01-01

    Human and natural forces are rapidly modifying the global distribution and structure of terrestrial ecosystems on which all of life depends, altering the global carbon cycle, affecting our climate now and for the foreseeable future, causing steep reductions in species diversity, and endangering Earth s sustainability. To understand changes and trends in terrestrial ecosystems and their functioning as carbon sources and sinks, and to characterize the impact of their changes on climate, habitat and biodiversity, new space assets are urgently needed to produce high spatial resolution global maps of the three-dimensional (3D) structure of vegetation, its biomass above ground, the carbon stored within and the implications for atmospheric green house gas concentrations and climate. These needs were articulated in a 2007 National Research Council (NRC) report (NRC, 2007) recommending a new satellite mission, DESDynI, carrying an L-band Polarized Synthetic Aperture Radar (Pol-SAR) and a multi-beam lidar (Light RAnging And Detection) operating at 1064 nm. The objectives of this paper are to articulate the importance of these new, multi-year, 3D vegetation structure and biomass measurements, to briefly review the feasibility of radar and lidar remote sensing technology to meet these requirements, to define the data products and measurement requirements, and to consider implications of mission durations. The paper addresses these objectives by synthesizing research results and other input from a broad community of terrestrial ecology, carbon cycle, and remote sensing scientists and working groups. We conclude that: (1) current global biomass and 3-D vegetation structure information is unsuitable for both science and management and policy. The only existing global datasets of biomass are approximations based on combining land cover type and representative carbon values, instead of measurements of actual biomass. Current measurement attempts based on radar and multispectral

  6. Details of the response of Kodak high resolution plate to x-irradiation for the characterization of ICF targets and components

    SciTech Connect

    Martin, A.J.; Simms, R.J.

    1985-01-01

    Radiographic images are used in the characterization of Internal Confinement Fusion targets and target components. The use of this technique involves consideration of: (1) the continuum and line emission source spectra produced by a tungsten anode, (2) the attenuation of the source spectrum by material in the x-ray path, and (3) the response of the x-ray detector, a Kodak HRP (High Resolution Plate), to the incident x-ray flux. 5 refs., 4 figs.

  7. Development of an in-situ soil structure characterization methodology

    NASA Astrophysics Data System (ADS)

    Debos, Endre; Kriston, Sandor

    2015-04-01

    The agricultural cultivation has several direct and indirect effects on the soil properties, among which the soil structure degradation is the best known and most detectable one. Soil structure degradation leads to several water and nutrient management problems, which reduce the efficiency of agricultural production. There are several innovative technological approaches aiming to reduce these negative impacts on the soil structure. The tests, validation and optimization of these methods require an adequate technology to measure the impacts on the complex soil system. This study aims to develop an in-situ soil structure and root development testing methodology, which can be used in field experiments and which allows one to follow the real time changes in the soil structure - evolution / degradation and its quantitative characterization. The method is adapted from remote sensing image processing technology. A specifically transformed A/4 size scanner is placed into the soil into a safe depth that cannot be reached by the agrotechnical treatments. Only the scanner USB cable comes to the surface to allow the image acquisition without any soil disturbance. Several images from the same place can be taken throughout the vegetation season to follow the soil consolidation and structure development after the last tillage treatment for the seedbed preparation. The scanned image of the soil profile is classified using supervised image classification, namely the maximum likelihood classification algorithm. The resulting image has two principal classes, soil matrix and pore space and other complementary classes to cover the occurring thematic classes, like roots, stones. The calculated data is calibrated with filed sampled porosity data. As the scanner is buried under the soil with no changes in light conditions, the image processing can be automated for better temporal comparison. Besides the total porosity each pore size fractions and their distributions can be calculated for

  8. Sizing Single Cantilever Beam Specimens for Characterizing Facesheet/Core Peel Debonding in Sandwich Structure

    NASA Technical Reports Server (NTRS)

    Ratcliffe, James G.

    2010-01-01

    This paper details part of an effort focused on the development of a standardized facesheet/core peel debonding test procedure. The purpose of the test is to characterize facesheet/core peel in sandwich structure, accomplished through the measurement of the critical strain energy release rate associated with the debonding process. The specific test method selected for the standardized test procedure utilizes a single cantilever beam (SCB) specimen configuration. The objective of the current work is to develop a method for establishing SCB specimen dimensions. This is achieved by imposing specific limitations on specimen dimensions, with the objectives of promoting a linear elastic specimen response, and simplifying the data reduction method required for computing the critical strain energy release rate associated with debonding. The sizing method is also designed to be suitable for incorporation into a standardized test protocol. Preliminary application of the resulting sizing method yields practical specimen dimensions.

  9. Energetics and Structural Characterization of the large-scale Functional Motion of Adenylate Kinase

    NASA Astrophysics Data System (ADS)

    Formoso, Elena; Limongelli, Vittorio; Parrinello, Michele

    2015-02-01

    Adenylate Kinase (AK) is a signal transducing protein that regulates cellular energy homeostasis balancing between different conformations. An alteration of its activity can lead to severe pathologies such as heart failure, cancer and neurodegenerative diseases. A comprehensive elucidation of the large-scale conformational motions that rule the functional mechanism of this enzyme is of great value to guide rationally the development of new medications. Here using a metadynamics-based computational protocol we elucidate the thermodynamics and structural properties underlying the AK functional transitions. The free energy estimation of the conformational motions of the enzyme allows characterizing the sequence of events that regulate its action. We reveal the atomistic details of the most relevant enzyme states, identifying residues such as Arg119 and Lys13, which play a key role during the conformational transitions and represent druggable spots to design enzyme inhibitors. Our study offers tools that open new areas of investigation on large-scale motion in proteins.

  10. Characterization of iron-phosphate-silicate chemical garden structures.

    PubMed

    Barge, Laura M; Doloboff, Ivria J; White, Lauren M; Stucky, Galen D; Russell, Michael J; Kanik, Isik

    2012-02-28

    Chemical gardens form when ferrous chloride hydrate seed crystals are added or concentrated solutions are injected into solutions of sodium silicate and potassium phosphate. Various precipitation morphologies are observed depending on silicate and phosphate concentrations, including hollow plumes, bulbs, and tubes. The growth of precipitates is controlled by the internal osmotic pressure, fluid buoyancy, and membrane strength. Additionally, rapid bubble-led growth is observed when silicate concentrations are high. ESEM/EDX analysis confirms compositional gradients within the membranes, and voltage measurements across the membranes during growth show a final potential of around 150-200 mV, indicating that electrochemical gradients are maintained across the membranes as growth proceeds. The characterization of chemical gardens formed with iron, silicate, and phosphate, three important components of an early earth prebiotic hydrothermal system, can help us understand the properties of analogous structures that likely formed at submarine alkaline hydrothermal vents in the Hadean-structures offering themselves as the hatchery of life. PMID:22035594

  11. Characterization of large structural genetic mosaicism in human autosomes.

    PubMed

    Machiela, Mitchell J; Zhou, Weiyin; Sampson, Joshua N; Dean, Michael C; Jacobs, Kevin B; Black, Amanda; Brinton, Louise A; Chang, I-Shou; Chen, Chu; Chen, Constance; Chen, Kexin; Cook, Linda S; Crous Bou, Marta; De Vivo, Immaculata; Doherty, Jennifer; Friedenreich, Christine M; Gaudet, Mia M; Haiman, Christopher A; Hankinson, Susan E; Hartge, Patricia; Henderson, Brian E; Hong, Yun-Chul; Hosgood, H Dean; Hsiung, Chao A; Hu, Wei; Hunter, David J; Jessop, Lea; Kim, Hee Nam; Kim, Yeul Hong; Kim, Young Tae; Klein, Robert; Kraft, Peter; Lan, Qing; Lin, Dongxin; Liu, Jianjun; Le Marchand, Loic; Liang, Xiaolin; Lissowska, Jolanta; Lu, Lingeng; Magliocco, Anthony M; Matsuo, Keitaro; Olson, Sara H; Orlow, Irene; Park, Jae Yong; Pooler, Loreall; Prescott, Jennifer; Rastogi, Radhai; Risch, Harvey A; Schumacher, Fredrick; Seow, Adeline; Setiawan, Veronica Wendy; Shen, Hongbing; Sheng, Xin; Shin, Min-Ho; Shu, Xiao-Ou; VanDen Berg, David; Wang, Jiu-Cun; Wentzensen, Nicolas; Wong, Maria Pik; Wu, Chen; Wu, Tangchun; Wu, Yi-Long; Xia, Lucy; Yang, Hannah P; Yang, Pan-Chyr; Zheng, Wei; Zhou, Baosen; Abnet, Christian C; Albanes, Demetrius; Aldrich, Melinda C; Amos, Christopher; Amundadottir, Laufey T; Berndt, Sonja I; Blot, William J; Bock, Cathryn H; Bracci, Paige M; Burdett, Laurie; Buring, Julie E; Butler, Mary A; Carreón, Tania; Chatterjee, Nilanjan; Chung, Charles C; Cook, Michael B; Cullen, Michael; Davis, Faith G; Ding, Ti; Duell, Eric J; Epstein, Caroline G; Fan, Jin-Hu; Figueroa, Jonine D; Fraumeni, Joseph F; Freedman, Neal D; Fuchs, Charles S; Gao, Yu-Tang; Gapstur, Susan M; Patiño-Garcia, Ana; Garcia-Closas, Montserrat; Gaziano, J Michael; Giles, Graham G; Gillanders, Elizabeth M; Giovannucci, Edward L; Goldin, Lynn; Goldstein, Alisa M; Greene, Mark H; Hallmans, Goran; Harris, Curtis C; Henriksson, Roger; Holly, Elizabeth A; Hoover, Robert N; Hu, Nan; Hutchinson, Amy; Jenab, Mazda; Johansen, Christoffer; Khaw, Kay-Tee; Koh, Woon-Puay; Kolonel, Laurence N; Kooperberg, Charles; Krogh, Vittorio; Kurtz, Robert C; LaCroix, Andrea; Landgren, Annelie; Landi, Maria Teresa; Li, Donghui; Liao, Linda M; Malats, Nuria; McGlynn, Katherine A; McNeill, Lorna H; McWilliams, Robert R; Melin, Beatrice S; Mirabello, Lisa; Peplonska, Beata; Peters, Ulrike; Petersen, Gloria M; Prokunina-Olsson, Ludmila; Purdue, Mark; Qiao, You-Lin; Rabe, Kari G; Rajaraman, Preetha; Real, Francisco X; Riboli, Elio; Rodríguez-Santiago, Benjamín; Rothman, Nathaniel; Ruder, Avima M; Savage, Sharon A; Schwartz, Ann G; Schwartz, Kendra L; Sesso, Howard D; Severi, Gianluca; Silverman, Debra T; Spitz, Margaret R; Stevens, Victoria L; Stolzenberg-Solomon, Rachael; Stram, Daniel; Tang, Ze-Zhong; Taylor, Philip R; Teras, Lauren R; Tobias, Geoffrey S; Viswanathan, Kala; Wacholder, Sholom; Wang, Zhaoming; Weinstein, Stephanie J; Wheeler, William; White, Emily; Wiencke, John K; Wolpin, Brian M; Wu, Xifeng; Wunder, Jay S; Yu, Kai; Zanetti, Krista A; Zeleniuch-Jacquotte, Anne; Ziegler, Regina G; de Andrade, Mariza; Barnes, Kathleen C; Beaty, Terri H; Bierut, Laura J; Desch, Karl C; Doheny, Kimberly F; Feenstra, Bjarke; Ginsburg, David; Heit, John A; Kang, Jae H; Laurie, Cecilia A; Li, Jun Z; Lowe, William L; Marazita, Mary L; Melbye, Mads; Mirel, Daniel B; Murray, Jeffrey C; Nelson, Sarah C; Pasquale, Louis R; Rice, Kenneth; Wiggs, Janey L; Wise, Anastasia; Tucker, Margaret; Pérez-Jurado, Luis A; Laurie, Cathy C; Caporaso, Neil E; Yeager, Meredith; Chanock, Stephen J

    2015-03-01

    Analyses of genome-wide association study (GWAS) data have revealed that detectable genetic mosaicism involving large (>2 Mb) structural autosomal alterations occurs in a fraction of individuals. We present results for a set of 24,849 genotyped individuals (total GWAS set II [TGSII]) in whom 341 large autosomal abnormalities were observed in 168 (0.68%) individuals. Merging data from the new TGSII set with data from two prior reports (the Gene-Environment Association Studies and the total GWAS set I) generated a large dataset of 127,179 individuals; we then conducted a meta-analysis to investigate the patterns of detectable autosomal mosaicism (n = 1,315 events in 925 [0.73%] individuals). Restricting to events >2 Mb in size, we observed an increase in event frequency as event size decreased. The combined results underscore that the rate of detectable mosaicism increases with age (p value = 5.5 × 10(-31)) and is higher in men (p value = 0.002) but lower in participants of African ancestry (p value = 0.003). In a subset of 47 individuals from whom serial samples were collected up to 6 years apart, complex changes were noted over time and showed an overall increase in the proportion of mosaic cells as age increased. Our large combined sample allowed for a unique ability to characterize detectable genetic mosaicism involving large structural events and strengthens the emerging evidence of non-random erosion of the genome in the aging population. PMID:25748358

  12. Characterization and crystal structure of D-mannitol hemihydrate.

    PubMed

    Nunes, Cletus; Suryanarayanan, Raj; Botez, Cristian E; Stephens, Peter W

    2004-11-01

    The objectives of this study were (i) to isolate and characterize mannitol hydrate, and (ii) to solve its crystal structure from high-resolution synchrotron X-ray powder diffraction data. Mannitol hydrate was prepared by freeze-drying aqueous mannitol solutions (5% w/v) under controlled conditions. X-ray powder diffractometry, differential scanning calorimetry, and thermogravimetric analyses indicated that mannitol exists as a hemihydrate (C(6)H(14)O(6) . 0.5H(2)O). Synchrotron data were collected on the X3B1 beamline at the National Synchrotron Light Source. The simulated annealing program PSSP was used to solve the structure, which was subsequently refined by Rietveld analysis using the program package GSAS. The compound crystallizes in space group P1, with a = 9.8963 A, b = 10.5424 A, c = 4.7860 A, alpha = 102.589 degrees , beta = 86.092 degrees , and gamma = 116.079 degrees . The unit cell contains two dissimilar D-mannitol molecules and one water molecule, forming a hydrogen bonding pattern significantly different from that seen in the anhydrous polymorphs. PMID:15368529

  13. Production and Structural Characterization of Lactobacillus helveticus Derived Biosurfactant

    PubMed Central

    Sharma, Deepansh; Saharan, Baljeet Singh; Chauhan, Nikhil; Bansal, Anshul; Procha, Suresh

    2014-01-01

    A probiotic strain of lactobacilli was isolated from traditional soft Churpi cheese of Yak milk and found positive for biosurfactant production. Lactobacilli reduced the surface tension of phosphate buffer saline (PBS) from 72.0 to 39.5 mNm−1 pH 7.2 and its critical micelle concentration (CMC) was found to be 2.5 mg mL−1. Low cost production of Lactobacilli derived biosurfactant was carried out at lab scale fermenter which yields 0.8 mg mL−1 biosurfactant. The biosurfactant was found least phytotoxic and cytotoxic as compared to the rhamnolipid and sodium dodecyl sulphate (SDS) at different concentration. Structural attributes of biosurfactant were determined by FTIR, NMR (1H and 13C), UPLC-MS, and fatty acid analysis by GCMS which confirmed the presence of glycolipid type of biosurfactant closely similar to xylolipids. Biosurfactant is mainly constituted by lipid and sugar fractions. The present study outcomes provide valuable information on structural characterization of the biosurfactant produced by L. helveticus MRTL91. These findings are encouraging for the application of Lactobacilli derived biosurfactant as nontoxic surface active agents in the emerging field of biomedical applications. PMID:25506070

  14. Polyelectrolyte/magnetite nanoparticle multilayers: preparation and structure characterization.

    PubMed

    Grigoriev, D; Gorin, D; Sukhorukov, G B; Yashchenok, A; Maltseva, E; Möhwald, H

    2007-11-20

    Polyelectrolyte composite planar films containing a different number of iron oxide (Fe3O4) nanoparticle layers have been prepared using the layer-by-layer adsorption technique. The nanocomposite assemblies were characterized by ellipsometry, UV-vis spectroscopy, and AFM. Linear growth of the multilayer thickness with the increase of the layer number, N, up to 12 reflects an extensive character of this parameter in this range. A more complicated behavior of the refractive index is caused by changes in the multilayer structure, especially for the thicker nanocomposites. A quantitative analysis of the nanocomposite structure is provided comparing a classical and a modified effective medium approach taking into account the influence of light absorption by the Fe3O4 nanoparticles on the complex refractive index of the nanocomposite and contributions of all components to film thickness. Dominant influence of co-adsorbed water on their properties was found to be another interesting peculiarity of the nanocomposite film. This effect, as well as possible film property modulation by light, is discussed. PMID:17958452

  15. Production and structural characterization of Lactobacillus helveticus derived biosurfactant.

    PubMed

    Sharma, Deepansh; Saharan, Baljeet Singh; Chauhan, Nikhil; Bansal, Anshul; Procha, Suresh

    2014-01-01

    A probiotic strain of lactobacilli was isolated from traditional soft Churpi cheese of Yak milk and found positive for biosurfactant production. Lactobacilli reduced the surface tension of phosphate buffer saline (PBS) from 72.0 to 39.5 mNm(-1) pH 7.2 and its critical micelle concentration (CMC) was found to be 2.5 mg mL(-1). Low cost production of Lactobacilli derived biosurfactant was carried out at lab scale fermenter which yields 0.8 mg mL(-1) biosurfactant. The biosurfactant was found least phytotoxic and cytotoxic as compared to the rhamnolipid and sodium dodecyl sulphate (SDS) at different concentration. Structural attributes of biosurfactant were determined by FTIR, NMR ((1)H and (13)C), UPLC-MS, and fatty acid analysis by GCMS which confirmed the presence of glycolipid type of biosurfactant closely similar to xylolipids. Biosurfactant is mainly constituted by lipid and sugar fractions. The present study outcomes provide valuable information on structural characterization of the biosurfactant produced by L. helveticus MRTL91. These findings are encouraging for the application of Lactobacilli derived biosurfactant as nontoxic surface active agents in the emerging field of biomedical applications. PMID:25506070

  16. Detailed magnetic and structural analysis mapping a robust magnetic C4 dome in Sr1 -xNaxFe2As2

    NASA Astrophysics Data System (ADS)

    Taddei, K. M.; Allred, J. M.; Bugaris, D. E.; Lapidus, S.; Krogstad, M. J.; Stadel, R.; Claus, H.; Chung, D. Y.; Kanatzidis, M. G.; Rosenkranz, S.; Osborn, R.; Chmaissem, O.

    2016-04-01

    The recently discovered C4 tetragonal magnetic phase in hole-doped members of the iron-based superconductors provides insights into the origin of unconventional superconductivity. Previously observed in Ba1-xNaxFe2As2 (with A = K, Na), the C4 magnetic phase exists within the well-studied C2 spin-density-wave dome, arising just before the complete suppression of antiferromagnetic order but after the onset of superconductivity. Here, we present detailed x-ray and neutron diffraction studies of Sr1-xNaxFe2As2 (0.10 ≤x ≤0.60 ) to determine their structural evolution and the extent of the C4 phase. Spanning Δ x ˜0.14 in composition, the C4 phase is found to extend over a larger range of compositions, and to exhibit a significantly higher transition temperature, Tr˜65 K, than in either of the other systems in which it has been observed. The onset of this phase is seen near a composition (x ˜0.30 ) where the bonding angles of the Fe2As2 layers approach the perfect 109 .46∘ tetrahedral angle. We discuss the possible role of this return to a higher symmetry environment for the magnetic iron site in triggering the magnetic reorientation and the coupled reentrance to the tetragonal structure. Finally, we present a phase diagram, complete with the C4 phase, and use its observation in a third hole-doped 122 system to suggest the universality of this phase.

  17. A detailed staging scheme for late larval development in Strongylocentrotus purpuratus focused on readily-visible juvenile structures within the rudiment

    PubMed Central

    2014-01-01

    Background The purple sea urchin, Strongylocentrotus purpuratus, has long been the focus of developmental and ecological studies, and its recently-sequenced genome has spawned a diversity of functional genomics approaches. S. purpuratus has an indirect developmental mode with a pluteus larva that transforms after 1–3 months in the plankton into a juvenile urchin. Compared to insects and frogs, mechanisms underlying the correspondingly dramatic metamorphosis in sea urchins remain poorly understood. In order to take advantage of modern techniques to further our understanding of juvenile morphogenesis, organ formation, metamorphosis and the evolution of the pentameral sea urchin body plan, it is critical to assess developmental progression and rate during the late larval phase. This requires a staging scheme that describes developmental landmarks that can quickly and consistently be used to identify the stage of individual living larvae, and can be tracked during the final two weeks of larval development, as the juvenile is forming. Results Notable structures that are easily observable in developing urchin larvae are the developing spines, test and tube feet within the juvenile rudiment that constitute much of the oral portion of the adult body plan. Here we present a detailed staging scheme of rudiment development in the purple urchin using soft structures of the rudiment and the primordia of these juvenile skeletal elements. We provide evidence that this scheme is robust and applicable across a range of temperature and feeding regimes. Conclusions Our proposed staging scheme provides both a useful method to study late larval development in the purple urchin, and a framework for developing similar staging schemes across echinoderms. Such efforts will have a high impact on evolutionary developmental studies and larval ecology, and facilitate research on this important deuterostome group. PMID:24886415

  18. Bispyrimidines as potent histamine H(4) receptor ligands: delineation of structure-activity relationships and detailed H(4) receptor binding mode.

    PubMed

    Engelhardt, Harald; Schultes, Sabine; de Graaf, Chris; Nijmeijer, Saskia; Vischer, Henry F; Zuiderveld, Obbe P; Dobler, Julia; Stachurski, Katharina; Mayer, Moriz; Arnhof, Heribert; Scharn, Dirk; Haaksma, Eric E J; de Esch, Iwan J P; Leurs, Rob

    2013-06-13

    The basic methylpiperazine moiety is considered a necessary substructure for high histamine H4 receptor (H4R) affinity. This moiety is however also the metabolic hot spot for various classes of H4R ligands (e.g., indolcarboxamides and pyrimidines). We set out to investigate whether mildly basic 2-aminopyrimidines in combination with the appropriate linker can serve as a replacement for the methylpiperazine moiety. In the series of 2-aminopyrimidines, the introduction of an additional 2-aminopyrimidine moiety in combination with the appropriate linker lead to bispyrimidines displaying pKi values for binding the human H4R up to 8.2. Furthermore, the methylpiperazine replacement results in compounds with improved metabolic properties. The attempt to transfer the knowledge generated in the class of bispyrimidines to the indolecarboxamides failed. Combining the derived structure-activity relationships with homology modeling leads to new detailed insights in the molecular aspects of ligand-H4R binding in general and the binding mode of the described bispyrimidines in specific. PMID:23668417

  19. SHOULD THE REORGANIZATION OF ADDICTION-RELATED RESEARCH ACROSS ALL THE NATIONAL INSTITUTES OF HEALTH BE STRUCTURAL?—THE DEVIL IS TRULY IN THE DETAILS

    PubMed Central

    Johnson, Bankole A.; Messing, Robert O.; Charness, Michael E.; Crabbe, John C.; Goldman, Mark S.; Harris, R. Adron; Kranzler, Henry R.; Mitchell, Mack C.; Nixon, Sara Jo; Riley, Edward P.; Schuckit, Marc A.; Sher, Kenneth J.; Thomas, Jennifer D.

    2011-01-01

    The recent proposal to dissolve the National Institute on Alcohol Abuse and Alcoholism and National Institute on Drug Abuse and create a new institute for substance use, abuse, and addiction will require significant effort by the staff of both institutes, the Advisory Councils, and outside experts to overcome complex challenges that could threaten its success. Although integration of the grants portfolios can be achieved, harmonization of goals and policies related to legal use of alcohol versus illegal consumption of drugs will present serious challenges. Consolidating the infrastructure of the two existing institutes would entail avoiding encroachment on grant funding. A new institute for substance use, abuse, and addiction would require an enormous amount of cooperation from other institutes since the portfolios of research on alcohol, tobacco, and other drug abuse should logically be transferred to the new institute. In the near term, a structural reorganization would be less efficient and more costly than the individual institutes are currently. Increasing efficiency and reducing costs over time will necessitate careful strategic planning. Success in this difficult task would be made easier and less costly by first implementing carefully placed building blocks of increasing functional reorganization. The newly created institute should increase opportunities for specialization within disorders of addiction, attract new leadership, and build a novel strategic plan that will energize scientists and staff and incorporate ideas of stakeholders to advance the public good in preventing and treating alcohol, tobacco, and all addictions. Attention must be paid to the devil in the details. PMID:21443646

  20. Effects of structural characterizations on fragility functions of bridges subject to seismic shaking and lateral spreading

    NASA Astrophysics Data System (ADS)

    Zhang, Jian; Huo, Yili; Brandenberg, Scott J.; Kashighandi, Pirooz

    2008-12-01

    This paper evaluates the seismic vulnerability of different classes of typical bridges in California when subjected to seismic shaking or liquefaction-induced lateral spreading. The detailed structural configurations in terms of superstructure type, connection, continuity at support and foundation type, etc. render different damage resistant capability. Six classes of bridges are established based on their anticipated failure mechanisms under earthquake shaking. The numerical models that are capable of simulating the complex soil-structure interaction effects, nonlinear behavior of columns and connections are developed for each bridge class. The dynamic responses are obtained using nonlinear time history analyses for a suite of 250 earthquake motions with increasing intensity. An equivalent static analysis procedure is also implemented to evaluate the vulnerability of the bridges when subjected to liquefaction-induced lateral spreading. Fragility functions for each bridge class are derived and compared for both seismic shaking (based on nonlinear dynamic analyses) and lateral spreading (based on equivalent static analyses) for different performance states. The study finds that the fragility functions due to either ground shaking or lateral spreading show significant correlation with the structural characterizations, but differences emerge for ground shaking and lateral spreading conditions. Structural properties that will mostly affect the bridges’ damage resistant capacity are also identified.

  1. Deployment, Foam Rigidization, and Structural Characterization of Inflatable Thin-Film Booms

    NASA Technical Reports Server (NTRS)

    Schnell, Andrew R.; Leigh, Larry M., Jr.; Tinker, Michael L.; McConnaughey, Paul R. (Technical Monitor)

    2002-01-01

    Detailed investigation of the construction, packaging/deployment, foam rigidization, and structural characterization of polyimide film inflatable booms is described. These structures have considerable potential for use in space with solar concentrators, solar sails, space power systems including solar arrays, and other future missions. Numerous thin-film booms or struts were successfully constructed, inflated, injected with foam, and rigidized. Both solid-section and annular test articles were fabricated, using Kapton polyimide film, various adhesives, Styrofoam end plugs, and polyurethane pressurized foam. Numerous inflation/deployment experiments were conducted and compared to computer simulations using the MSC/DYTRAN code. Finite element models were developed for several foam-rigidized struts and compared to model test results. Several problems encountered in the construction, deployment, and foam injection/rigidization process are described. Areas of difficulty included inadequate adhesive strength, cracking of the film arid leakage, excessive bending of the structure during deployment, problems with foam distribution and curing properties, and control of foam leakage following injection into the structure. Many of these problems were overcome in the course of the research.

  2. Amino-Functionalized Layered Crystalline Zirconium Phosphonates: Synthesis, Crystal Structure, and Spectroscopic Characterization.

    PubMed

    Taddei, Marco; Sassi, Paola; Costantino, Ferdinando; Vivani, Riccardo

    2016-06-20

    Two new layered zirconium phosphonates functionalized with amino groups were synthesized starting from aminomethylphosphonic acid in the presence of different mineralizers, and their structures were solved from powder X-ray diffraction data. Their topologies are unprecedented in zirconium phosphonate chemistry: the first, of formula ZrH[F3(O3PCH2NH2)], prepared in the presence of hydrofluoric acid, features uncommon ZrO2F4 units and a remarkable thermal stability; the second, of formula Zr2H2[(C2O4)3(O3PCH2NH2)2]·2H2O, prepared in the presence of oxalic acid, is based on ZrO7 units with oxalate anions coordinated to the metal atom, which were never observed before in any zirconium phosphonate. In addition, the structure of another compound based on (2-aminoethyl)phosphonic acid is reported, which was the object of a previously published study. This compound has layered α-type structure with -NH3(+) groups located in the interlayer space. All of the reported compounds were further characterized by means of vibrational spectroscopy, which provided important information on fine structural details that cannot be deduced from the powder X-ray diffraction data. PMID:27254781

  3. Structural characterization of Turtle Mountain anticline (Alberta, Canada) and impact on rock slope failure

    NASA Astrophysics Data System (ADS)

    Humair, Florian; Pedrazzini, Andrea; Epard, Jean-Luc; Froese, Corey R.; Jaboyedoff, Michel

    2013-10-01

    This paper proposes a structural investigation of the Turtle Mountain anticline (Alberta, Canada) to better understand the role of the different tectonic features on the development of both local and large scale rock slope instabilities occurring in Turtle Mountain. The study area is investigated by combining remote methods with detailed field surveys. In particular, the benefit of Terrestrial Laser Scanning for ductile and brittle tectonic structure interpretations is illustrated. The proposed tectonic interpretation allows the characterization of the fracturing pattern, the fold geometry and the role of these tectonic features in rock slope instability development. Ten discontinuity sets are identified in the study area, their local variations permitting the differentiation of the study zone into 20 homogenous structural domains. The anticline is described as an eastern verging fold that displays considerable geometry differences along its axis and developed by both flexural slip and tangential longitudinal strain folding mechanisms. Moreover, the origins of the discontinuity sets are determined according to the tectonic phases affecting the region (pre-folding, folding, post-folding). The localization and interpretation of kinematics of the different instabilities revealed the importance of considering the discrete brittle planes of weakness, which largely control the kinematic release of the local instabilities, and also the rock mass damage induced by large tectonic structures (fold hinge, thrust).

  4. Crystal structure and functional characterization of a light-driven chloride pump having an NTQ motif

    PubMed Central

    Kim, Kuglae; Kwon, Soon-Kyeong; Jun, Sung-Hoon; Cha, Jeong Seok; Kim, Hoyoung; Lee, Weontae; Kim, Jihyun F.; Cho, Hyun-Soo

    2016-01-01

    A novel light-driven chloride-pumping rhodopsin (ClR) containing an ‘NTQ motif' in its putative ion conduction pathway has been discovered and functionally characterized in a genomic analysis study of a marine bacterium. Here we report the crystal structure of ClR from the flavobacterium Nonlabens marinus S1-08T determined under two conditions at 2.0 and 1.56 Å resolutions. The structures reveal two chloride-binding sites, one around the protonated Schiff base and the other on a cytoplasmic loop. We identify a ‘3 omega motif' formed by three non-consecutive aromatic amino acids that is correlated with the B–C loop orientation. Detailed ClR structural analyses with functional studies in E. coli reveal the chloride ion transduction pathway. Our results help understand the molecular mechanism and physiological role of ClR and provide a structural basis for optogenetic applications. PMID:27554809

  5. Hierarchical manufacture and characterization of multifunctional nanocomposite structures

    NASA Astrophysics Data System (ADS)

    Veedu, Vinod P. V.

    The objective of this work is to develop multifunctional 3-D nanocomposite structures in an attempt to solve the shortcomings of the traditional composite materials. To achieve this goal, at first a detailed analysis of the properties of the basic nano reinforcement, carbon nanotube, was performed in terms of mechanical behavior, thermoelastic responses and thermal conductivity using an analytical technique, namely, asymptotic homogenization method. In our initial experimental works, different polymer resins were reinforced with nanotubes as well as nanoparticles and their mechanical performances were investigated. These experiments reveal that at higher weight percentage loading of the nanoparticles and nanotubes there are dominant issues such as alignment and dispersion, which would weaken the material. This led us to seek a novel approach to nanocomposites. In this report, two multifunctional nanocomposite structures are introduced: nanotube based brushes and hierarchical 3-D nanocomposite. The nanotube brushes were fabricated using chemical vapor deposition. Functions performed by these brushes such as mechanical and chemical cleaning, painting and electrical contacts will be discussed. Also, we unveil a novel approach to the 3-D composite challenge, without altering the existing 2-D stack design, based on the concept of interlaminar carbon nanotube forests that would provide enhanced multifunctional properties in the thickness direction. The nanotube coated fabric cloths serve as building blocks for the multi-layered 3-D composites with the nanotubes forests providing much needed interlaminar strength and toughness under various loading conditions. For the fabricated 3-D composites with nanotube forests, we demonstrate remarkable improvements in the interlaminar fracture toughness, delamination resistance, in-plane mechanical properties, damping, thermoelastic behavior, and thermal and electrical conductivities providing truly three-dimensional multifunctional

  6. Characterization and estimation of permeability correlation structure from performance data

    SciTech Connect

    Ershaghi, I.; Al-Qahtani, M.

    1997-08-01

    In this study, the influence of permeability structure and correlation length on the system effective permeability and recovery factors of 2-D cross-sectional reservoir models, under waterflood, is investigated. Reservoirs with identical statistical representation of permeability attributes are shown to exhibit different system effective permeability and production characteristics which can be expressed by a mean and variance. The mean and variance are shown to be significantly influenced by the correlation length. Detailed quantification of the influence of horizontal and vertical correlation lengths for different permeability distributions is presented. The effect of capillary pressure, P{sub c1} on the production characteristics and saturation profiles at different correlation lengths is also investigated. It is observed that neglecting P{sub c} causes considerable error at large horizontal and short vertical correlation lengths. The effect of using constant as opposed to variable relative permeability attributes is also investigated at different correlation lengths. Next we studied the influence of correlation anisotropy in 2-D reservoir models. For a reservoir under five-spot waterflood pattern, it is shown that the ratios of breakthrough times and recovery factors of the wells in each direction of correlation are greatly influenced by the degree of anisotropy. In fully developed fields, performance data can aid in the recognition of reservoir anisotropy. Finally, a procedure for estimating the spatial correlation length from performance data is presented. Both the production performance data and the system`s effective permeability are required in estimating the correlation length.

  7. Characterization of Polyimide Foams for Ultra-Lightweight Space Structures

    NASA Technical Reports Server (NTRS)

    Meador, Michael (Technical Monitor); Hillman, Keithan; Veazie, David R.

    2003-01-01

    Ultra-lightweight materials have played a significant role in nearly every area of human activity ranging from magnetic tapes and artificial organs to atmospheric balloons and space inflatables. The application range of ultra-lightweight materials in past decades has expanded dramatically due to their unsurpassed efficiency in terms of low weight and high compliance properties. A new generation of ultra-lightweight materials involving advanced polymeric materials, such as TEEK (TM) polyimide foams, is beginning to emerge to produce novel performance from ultra-lightweight systems for space applications. As a result, they require that special conditions be fulfilled to ensure adequate structural performance, shape retention, and thermal stability. It is therefore important and essential to develop methodologies for predicting the complex properties of ultra-lightweight foams. To support NASA programs such as the Reusable Launch Vehicle (RLV), Clark Atlanta University, along with SORDAL, Inc., has initiated projects for commercial process development of polyimide foams for the proposed cryogenic tank integrated structure (see figure 1). Fabrication and characterization of high temperature, advanced aerospace-grade polyimide foams and filled foam sandwich composites for specified lifetimes in NASA space applications, as well as quantifying the lifetime of components, are immensely attractive goals. In order to improve the development, durability, safety, and life cycle performance of ultra-lightweight polymeric foams, test methods for the properties are constant concerns in terms of timeliness, reliability, and cost. A major challenge is to identify the mechanisms of failures (i.e., core failure, interfacial debonding, and crack development) that are reflected in the measured properties. The long-term goal of the this research is to develop the tools and capabilities necessary to successfully engineer ultra-lightweight polymeric foams. The desire is to reduce density

  8. Geological Features and Crustal Structure of the Cretaceous Middle Benue Trough, Nigeria: Insights from Detailed Analysis and Modelling of Magnetic and Gravity Data

    NASA Astrophysics Data System (ADS)

    Anudu, G. K.; Stephenson, R.; Macdonald, D.

    2015-12-01

    The middle Benue Trough is the middle (central) segment of the Nigerian Benue Trough, an intra-continental rift that developed during the second phase of rifting of the Gondwana supercontinent that resulted in the opening of the South Atlantic Ocean, Gulf of Guinea and separation of South America from Africa in the Late Jurassic to Early Cretaceous. Airborne magnetic and terrestrial gravity data from the area have been analysed and modelled in detail. Results obtained using a variety of edge enhancement (derivative) methods applied to high-resolution, airborne magnetic data reveal widespread magmatic intrusions (mainly volcanic/sub-volcanic rocks, with an areal extent greater than 12000 km2) and numerous geological structures. Rose (azimuth frequency) plots show that the geological structural trends are predominantly NE - SW, NW - SE and ESE - WNW with minor ENE -WSW/N - S trends and thus suggest that the area has undergone several phases of tectonic deformation at different geological times. Integrated two-dimensional (2-D) gravity and magnetic modelling along five profiles constrained by 2-D magnetic depth-to-source estimates and available seismological velocity models indicates the presence of a number of distinct crustal bodies and thin crust. Moho depth varies from ca. 21 - 29 km, while the crustal thickness ranges between ca. 19 and 29 km. Shallower Moho and thinner crust are observed along the trough axis. Results from the study also reveal that the amount of crustal thinning and crustal stretching factor (β) across the area varies from 3.3 - 14.5 km and 1.11 - 1.78, respectively. Broad positive to near positive Bouguer gravity anomalies in the region of the trough axis are due to the combined effects of dense (intermediate to basic) magmatic intrusions (both intra-sedimentary and intra-basement/crustal ones), shallow basement horsts (basement uplift zones) and thin crust replaced by dense abnormal upper mantle bodies. Reactivated intra-basement structures

  9. Fault structure and detailed evolution of a slow spreading ridge segment: the Mid-Atlantic Ridge at 29°N

    NASA Astrophysics Data System (ADS)

    Searle, R. C.; Cowie, P. A.; Mitchell, N. C.; Allerton, S.; MacLeod, C. J.; Escartin, J.; Russell, S. M.; Slootweg, P. A.; Tanaka, T.

    1998-01-01

    We present preliminary results of a detailed near-bottom study of the morphology and tectonics of the 29°N "Broken Spur" segment on the slow spreading Mid-Atlantic Ridge, using principally the TOBI deep-towed instrument. The survey covered two-thirds of the segment length, including all of its southern non-transform boundary, and extended off-axis of 40 km (3.3 Ma) on either side. We obtained nearly complete near-bottom sidescan sonar coverage and deep-towed three-component magnetic observations along 2-km-spaced E-W tracks. Sidescan data reveal new details of fault structure and evolution. Faults grow by along-axis linkage. In the inside corner, they also link in the axis-normal direction by curving to meet the next outer (older) fault; this leads to wider-spaced faults compared to segment centre or outside corner. Outward facing faults exist but are rare. The non-transform offset is characterised by faults that are highly oblique, not parallel, to the spreading direction, and show cross-cutting relations with ridge-parallel faults to the north, suggesting along-axis migration of the offset. Almost all volcanic activity occurs within 5 km of the axis. Most fault growth is complete within 15 km of the axis (1.2 Ma), though large scarps continue to be degraded by mass-wasting beyond there. Crustal magnetisation is strongly three-dimensional. The current neovolcanic zone is slightly oblique to earlier reversal boundaries, and its magnetisation rises to a maximum of 30 A m -1 near its southern tip. The central magnetisation high tapers southwards and is asymmetric, with a sharp western but gradual eastern boundary. We infer a highly asymmetric accretion of layer 2 near the segment end. Older magnetic anomalies are kinked and sometimes missing. We interpret these observations as evidence of a rapid, 18 km southward migration of the segment boundary during the past 1.8 Ma, and present a series of reconstructions illustrating this tectonic history.

  10. Fault structure and detailed evolution of a slow spreading ridge segment: the Mid-Atlantic Ridge at 29°N

    NASA Astrophysics Data System (ADS)

    Tanaka, T.; Slootweg, P. A.; Russell, S. M.; Escartin, J.; MacLeod, C. J.; Allerton, S.; Mitchell, N. C.; Cowie, P. A.; Searle, R. C.

    1998-01-01

    We present preliminary results of a detailed near-bottom study of the morphology and tectonics of the 29°N ``Broken Spur'' segment on the slow spreading Mid-Atlantic Ridge, using principally the TOBI deep-towed instrument. The survey covered two-thirds of the segment length, including all of its southern non-transform boundary, and extended off-axis of 40 km (3.3 Ma) on either side. We obtained nearly complete near-bottom sidescan sonar coverage and deep-towed three-component magnetic observations along 2-km-spaced E-W tracks. Sidescan data reveal new details of fault structure and evolution. Faults grow by along-axis linkage. In the inside corner, they also link in the axis-normal direction by curving to meet the next outer (older) fault; this leads to wider-spaced faults compared to segment centre or outside corner. Outward facing faults exist but are rare. The non-transform offset is characterised by faults that are highly oblique, not parallel, to the spreading direction, and show cross-cutting relations with ridge-parallel faults to the north, suggesting along-axis migration of the offset. Almost all volcanic activity occurs within 5 km of the axis. Most fault growth is complete within 15 km of the axis (1.2 Ma), though large scarps continue to be degraded by mass-wasting beyond there. Crustal magnetisation is strongly three-dimensional. The current neovolcanic zone is slightly oblique to earlier reversal boundaries, and its magnetisation rises to a maximum of 30 A m-1 near its southern tip. The central magnetisation high tapers southwards and is asymmetric, with a sharp western but gradual eastern boundary. We infer a highly asymmetric accretion of layer 2 near the segment end. Older magnetic anomalies are kinked and sometimes missing. We interpret these observations as evidence of a rapid, 18 km southward migration of the segment boundary during the past 1.8 Ma, and present a series of reconstructions illustrating this tectonic history.

  11. The Devil is in the Details: Using X-Ray Computed Tomography to Develop Accurate 3D Grain Characteristics and Bed Structure Metrics for Gravel Bed Rivers

    NASA Astrophysics Data System (ADS)

    Voepel, H.; Hodge, R. A.; Leyland, J.; Sear, D. A.; Ahmed, S. I.

    2014-12-01

    Uncertainty for bedload estimates in gravel bed rivers is largely driven by our inability to characterize the arrangement and orientation of the sediment grains within the bed. The characteristics of the surface structure are produced by the water working of grains, which leads to structural differences in bedforms through differential patterns of grain sorting, packing, imbrication, mortaring and degree of bed armoring. Until recently the technical and logistical difficulties of characterizing the arrangement of sediment in 3D have prohibited a full understanding of how grains interact with stream flow and the feedback mechanisms that exist. Micro-focus X-ray CT has been used for non-destructive 3D imaging of grains within a series of intact sections of river bed taken from key morphological units (see Figure 1). Volume, center of mass, points of contact, protrusion and spatial orientation of individual surface grains are derived from these 3D images, which in turn, facilitates estimates of 3D static force properties at the grain-scale such as pivoting angles, buoyancy and gravity forces, and grain exposure. By aggregating representative samples of grain-scale properties of localized interacting sediment into overall metrics, we can compare and contrast bed stability at a macro-scale with respect to stream bed morphology. Understanding differences in bed stability through representative metrics derived at the grain-scale will ultimately lead to improved bedload estimates with reduced uncertainty and increased understanding of interactions between grain-scale properties on channel morphology. Figure 1. CT-Scans of a water worked gravel-filled pot. a. 3D rendered scan showing the outer mesh, and b. the same pot with the mesh removed. c. vertical change in porosity of the gravels sampled in 5mm volumes. Values are typical of those measured in the field and lab. d. 2-D slices through the gravels at 20% depth from surface (porosity = 0.35), and e. 75% depth from

  12. Structural Characterization of the Fla2 Flagellum of Rhodobacter sphaeroides

    PubMed Central

    de la Mora, Javier; Uchida, Kaoru; del Campo, Ana Martínez; Camarena, Laura; Aizawa, Shin-Ichi

    2015-01-01

    ABSTRACT Rhodobacter sphaeroides is a free-living alphaproteobacterium that contains two clusters of functional flagellar genes in its genome: one acquired by horizontal gene transfer (fla1) and one that is endogenous (fla2). We have shown that the Fla2 system is normally quiescent and under certain conditions produces polar flagella, while the Fla1 system is always active and produces a single flagellum at a nonpolar position. In this work we purified and characterized the structure and analyzed the composition of the Fla2 flagellum. The number of polar filaments per cell is 4.6 on average. By comparison with the Fla1 flagellum, the prominent features of the ultra structure of the Fla2 HBB are the absence of an H ring, thick and long hooks, and a smoother zone at the hook-filament junction. The Fla2 helical filaments have a pitch of 2.64 μm and a diameter of 1.4 μm, which are smaller than those of the Fla1 filaments. Fla2 filaments undergo polymorphic transitions in vitro and showed two polymorphs: curly (right-handed) and coiled. However, in vivo in free-swimming cells, we observed only a bundle of filaments, which should probably be left-handed. Together, our results indicate that Fla2 cell produces multiple right-handed polar flagella, which are not conventional but exceptional. IMPORTANCE R. sphaeroides possesses two functional sets of flagellar genes. The fla1 genes are normally expressed in the laboratory and were acquired by horizontal transfer. The fla2 genes are endogenous and are expressed in a Fla1− mutant grown phototrophically and in the absence of organic acids. The Fla1 system produces a single lateral or subpolar flagellum, and the Fla2 system produces multiple polar flagella. The two kinds of flagella are never expressed simultaneously, and both are used for swimming in liquid media. The two sets of genes are certainly ready for responding to specific environmental conditions. The characterization of the Fla2 system will help us to understand

  13. Characterization of structural relaxation in inorganic glasses using length dilatometry

    NASA Astrophysics Data System (ADS)

    Koontz, Erick

    The processes that govern how a glass relaxes towards its thermodynamic quasi-equilibrium state are major factors in understanding glass behavior near the glass transition region, as characterized by the glass transition temperature (Tg). Intrinsic glass properties such as specific volume, enthalpy, entropy, density, etc. are used to map the behavior of the glass network below in and near the transition region. The question of whether a true thermodynamic second order phase transition takes place in the glass transition region is another pending question. Linking viscosity behavior to entropy, or viewing the glass configuration as an energy landscape are just a couple of the most prevalent methods used for attempting to understand the glass transition. The structural relaxation behavior of inorganic glasses is important for more than scientific reasons, many commercial glass processing operations including glass melting and certain forms of optical fabrication include significant time spent in the glass transition region. For this reason knowledge of structural relaxation processes can, at a minimum, provide information for annealing duration of melt-quenched glasses. The development of a predictive model for annealing time prescription has the potential to save glass manufacturers significant time and money as well as increasing volume throughput. In optical hot forming processes such as precision glass molding, molded optical components can significantly change in shape upon cooling through the glass transition. This change in shape is not scientifically predictable as of yet though manufacturers typically use empirical rules developed in house. The classification of glass behavior in the glass transition region would allow molds to be accurately designed and save money for the producers. The work discussed in this dissertation is comprised of the development of a dilatometric measurement and characterization method of structural relaxation. The measurement and

  14. Structure and Mixing Characterization of Variable Density Transverse Jet Flows

    NASA Astrophysics Data System (ADS)

    Gevorkyan, Levon

    (CVP) and the generation of strong upstream shear layer instability. In contrast, weak, convectively unstable upstream shear layers corresponded with asymmetries in the jet cross-sectional shape and/or lack of a CVP structure. While momentum flux ratio J and density ratio S most significantly determined the strength of the instabilities and CVP structures, an additional dependence on jet Reynolds number for CVP formation was found, with significant increases in jet Reynolds number resulting in enhanced symmetry and CVP generation. The mixing characteristics of Rej = 1900 jets of various J, S, and injector type were explored in detail in the present studies using jet centerplane and cross-sectional PLIF measurements. Various mixing metrics such as the jet fluid centerline concentration decay, Unmixedness, and Probability Density Function (PDF) were applied systematically using a novel method for comparing jets with different mass flux characteristics. It was found that when comparing mixing metrics along the jet trajectory, strengthening the upstream shear layer instability by reducing J, and achieving absolutely unstable conditions, enhanced overall mixing. Reducing density ratio S for larger J values, which under equidensity (S = 1.00) conditions would create a convectively unstable shear layer, was also observed to enhance mixing. On the other hand, reducing S for low J conditions, which are known to produce absolutely unstable upstream shear layers even for equidensity cases, was actually observed to reduce mixing, a result attributed to a reduction in crossfiow fluid entrainment into shear layer vortex cores as jet density was reduced. Comparing injectors, the flush-mounted pipe was generally the best mixer, whereas the worst mixer was the nozzle that was elevated above the crossfiow boundary layer due to upstream shear layer co-flow generated by the elevated nozzle contour; this co-flow was observed here and in prior studies to stabilize the shear layer. The

  15. Structural and functional characterization of the trifunctional antibody catumaxomab.

    PubMed

    Chelius, Dirk; Ruf, Peter; Gruber, Patrick; Plöscher, Matthias; Liedtke, Reinhard; Gansberger, Eva; Hess, Juergen; Wasiliu, Michael; Lindhofer, Horst

    2010-01-01

    The Triomab family of trifunctional, bispecific antibodies that maintain an IgG-like shape are novel tumor targeting agents. These chimeras consist of two half antibodies, each with one light and one heavy chain, that originate from parental mouse IgG2a and rat IgG2b isotypes. This combination allows cost-effective biopharmaceutical manufacturing at an industrial scale since this specific mouse/rat isotype combination favors matching of corresponding antibody halves during production by means of quadroma technology. Whereas every Triomab family member is composed of an anti-CD3 rat IgG2b half antibody for T cell recognition, the antigen binding site presented by the mouse IgG2a isotype is exchangeable. Several Triomab antibodies have been generated that bind to tumor-associated antigens, e.g., EpCAM (catumaxomab), HER2/neu (ertumaxomab), CD20 (FBTA05), gangliosides GD2/GD3 (Ektomun), on appropriate tumor target cells associated with carcinomas, lymphomas or melanomas. Catumaxomab (Removab) was launched in Europe for treatment of malignant ascites in April 2009. Here, we report the structural and functional characterization of this product. Mass spectrometry revealed an intact mass of 150511 Dalton (Da) and 23717 Da, 24716 Da, 51957 Da and 52019 Da of the reduced and alkylated rat light chain, mouse light chain, rat heavy chain, mouse heavy chain chains, respectively. The observed masses were in agreement with the expected masses based on the amino acid sequence obtained from cDNA sequencing. The glycosylation profile was similar to other human IgG consisting of biantennary oligosaccharides with different numbers of terminal galactose. CD spectroscopy showed mainly beta-sheets secondary structure that is typical for IgG antibodies. Binding measurement revealed the unique trifunctional features of catumaxomab. Other analytical tools were used to evaluate characteristics of catumaxomab preparations, including the presence of isoforms and aggregates. PMID:20418662

  16. Characterization of Large Structural Genetic Mosaicism in Human Autosomes

    PubMed Central

    Machiela, Mitchell J.; Zhou, Weiyin; Sampson, Joshua N.; Dean, Michael C.; Jacobs, Kevin B.; Black, Amanda; Brinton, Louise A.; Chang, I-Shou; Chen, Chu; Chen, Constance; Chen, Kexin; Cook, Linda S.; Crous Bou, Marta; De Vivo, Immaculata; Doherty, Jennifer; Friedenreich, Christine M.; Gaudet, Mia M.; Haiman, Christopher A.; Hankinson, Susan E.; Hartge, Patricia; Henderson, Brian E.; Hong, Yun-Chul; Hosgood, H. Dean; Hsiung, Chao A.; Hu, Wei; Hunter, David J.; Jessop, Lea; Kim, Hee Nam; Kim, Yeul Hong; Kim, Young Tae; Klein, Robert; Kraft, Peter; Lan, Qing; Lin, Dongxin; Liu, Jianjun; Le Marchand, Loic; Liang, Xiaolin; Lissowska, Jolanta; Lu, Lingeng; Magliocco, Anthony M.; Matsuo, Keitaro; Olson, Sara H.; Orlow, Irene; Park, Jae Yong; Pooler, Loreall; Prescott, Jennifer; Rastogi, Radhai; Risch, Harvey A.; Schumacher, Fredrick; Seow, Adeline; Setiawan, Veronica Wendy; Shen, Hongbing; Sheng, Xin; Shin, Min-Ho; Shu, Xiao-Ou; VanDen Berg, David; Wang, Jiu-Cun; Wentzensen, Nicolas; Wong, Maria Pik; Wu, Chen; Wu, Tangchun; Wu, Yi-Long; Xia, Lucy; Yang, Hannah P.; Yang, Pan-Chyr; Zheng, Wei; Zhou, Baosen; Abnet, Christian C.; Albanes, Demetrius; Aldrich, Melinda C.; Amos, Christopher; Amundadottir, Laufey T.; Berndt, Sonja I.; Blot, William J.; Bock, Cathryn H.; Bracci, Paige M.; Burdett, Laurie; Buring, Julie E.; Butler, Mary A.; Carreón, Tania; Chatterjee, Nilanjan; Chung, Charles C.; Cook, Michael B.; Cullen, Michael; Davis, Faith G.; Ding, Ti; Duell, Eric J.; Epstein, Caroline G.; Fan, Jin-Hu; Figueroa, Jonine D.; Fraumeni, Joseph F.; Freedman, Neal D.; Fuchs, Charles S.; Gao, Yu-Tang; Gapstur, Susan M.; Patiño-Garcia, Ana; Garcia-Closas, Montserrat; Gaziano, J. Michael; Giles, Graham G.; Gillanders, Elizabeth M.; Giovannucci, Edward L.; Goldin, Lynn; Goldstein, Alisa M.; Greene, Mark H.; Hallmans, Goran; Harris, Curtis C.; Henriksson, Roger; Holly, Elizabeth A.; Hoover, Robert N.; Hu, Nan; Hutchinson, Amy; Jenab, Mazda; Johansen, Christoffer; Khaw, Kay-Tee; Koh, Woon-Puay; Kolonel, Laurence N.; Kooperberg, Charles; Krogh, Vittorio; Kurtz, Robert C.; LaCroix, Andrea; Landgren, Annelie; Landi, Maria Teresa; Li, Donghui; Liao, Linda M.; Malats, Nuria; McGlynn, Katherine A.; McNeill, Lorna H.; McWilliams, Robert R.; Melin, Beatrice S.; Mirabello, Lisa; Peplonska, Beata; Peters, Ulrike; Petersen, Gloria M.; Prokunina-Olsson, Ludmila; Purdue, Mark; Qiao, You-Lin; Rabe, Kari G.; Rajaraman, Preetha; Real, Francisco X.; Riboli, Elio; Rodríguez-Santiago, Benjamín; Rothman, Nathaniel; Ruder, Avima M.; Savage, Sharon A.; Schwartz, Ann G.; Schwartz, Kendra L.; Sesso, Howard D.; Severi, Gianluca; Silverman, Debra T.; Spitz, Margaret R.; Stevens, Victoria L.; Stolzenberg-Solomon, Rachael; Stram, Daniel; Tang, Ze-Zhong; Taylor, Philip R.; Teras, Lauren R.; Tobias, Geoffrey S.; Viswanathan, Kala; Wacholder, Sholom; Wang, Zhaoming; Weinstein, Stephanie J.; Wheeler, William; White, Emily; Wiencke, John K.; Wolpin, Brian M.; Wu, Xifeng; Wunder, Jay S.; Yu, Kai; Zanetti, Krista A.; Zeleniuch-Jacquotte, Anne; Ziegler, Regina G.; de Andrade, Mariza; Barnes, Kathleen C.; Beaty, Terri H.; Bierut, Laura J.; Desch, Karl C.; Doheny, Kimberly F.; Feenstra, Bjarke; Ginsburg, David; Heit, John A.; Kang, Jae H.; Laurie, Cecilia A.; Li, Jun Z.; Lowe, William L.; Marazita, Mary L.; Melbye, Mads; Mirel, Daniel B.; Murray, Jeffrey C.; Nelson, Sarah C.; Pasquale, Louis R.; Rice, Kenneth; Wiggs, Janey L.; Wise, Anastasia; Tucker, Margaret; Pérez-Jurado, Luis A.; Laurie, Cathy C.; Caporaso, Neil E.; Yeager, Meredith; Chanock, Stephen J.

    2015-01-01

    Analyses of genome-wide association study (GWAS) data have revealed that detectable genetic mosaicism involving large (>2 Mb) structural autosomal alterations occurs in a fraction of individuals. We present results for a set of 24,849 genotyped individuals (total GWAS set II [TGSII]) in whom 341 large autosomal abnormalities were observed in 168 (0.68%) individuals. Merging data from the new TGSII set with data from two prior reports (the Gene-Environment Association Studies and the total GWAS set I) generated a large dataset of 127,179 individuals; we then conducted a meta-analysis to investigate the patterns of detectable autosomal mosaicism (n = 1,315 events in 925 [0.73%] individuals). Restricting to events >2 Mb in size, we observed an increase in event frequency as event size decreased. The combined results underscore that the rate of detectable mosaicism increases with age (p value = 5.5 × 10−31) and is higher in men (p value = 0.002) but lower in participants of African ancestry (p value = 0.003). In a subset of 47 individuals from whom serial samples were collected up to 6 years apart, complex changes were noted over time and showed an overall increase in the proportion of mosaic cells as age increased. Our large combined sample allowed for a unique ability to characterize detectable genetic mosaicism involving large structural events and strengthens the emerging evidence of non-random erosion of the genome in the aging population. PMID:25748358

  17. Growth and characterization of nanocrystalline zirconium nitride-inconel structures

    NASA Astrophysics Data System (ADS)

    Aouadi, S. M.; Maeruf, T.; Sodergren, M.; Mihut, D. M.; Rohde, S. L.; Xu, J.; Mishra, S. R.

    2005-07-01

    This paper reports on the investigation of the physical, chemical, optical, mechanical, and tribological properties of reactively sputtered zirconium nitride-inconel composite nanocrystalline mixture films. These films were co-sputtered from a Zr and an inconel targets onto Si (111) substrates at room temperature using a fixed power to the Zr target (PZr) and a fixed flow of nitrogen and argon. Two sets of samples were produced by (1) varying the power to the inconel target (Pinc) and using a fixed bias voltage Vb and (2) by varying Vb and keeping Pinc fixed. The elemental composition was deduced from x-ray photoelectron spectroscopy, and was found to be influenced by Pinc and Vb. X-ray diffraction revealed the presence of nanocrystals of ZrN with a pattern typical of the NaCl structure. The grain size was found to decrease with the increase in ``inconel'' content in the film. The optical constants were measured using spectroscopic ellipsometry and were subsequently simulated using a Drude-Lorentz model. A correlation between film structure-composition and optical constants was established. The hardness and elastic modulus of each sample were measured by nanoindentation. The hardest films were produced using a Vb=-130 V bias voltage and Pinc=4 W. Microwear measurements were carried out using positive constant normal loads and the wear tracks were imaged and processed. The measured values for the friction coefficients, residual depth of tip indentations, wear volumes, and surface roughness were reported. The lowest recorded wear volume using a load of 4 mN was 10-3 μm. Finally, the coatings were worn against ball-bearing steel using a ball-on-disk tribotester. Characterization of the wear tracks were performed by profilometry. A low wear coefficient of 1.7×10-7 mm3/s was obtained for a load of 5 N.

  18. Detailed relationship between local structure, polarons, and magnetizationfor La1-xCaxMnO3 (0.21≤x≤0.45)

    NASA Astrophysics Data System (ADS)

    Bridges, F.; Downward, L.; Neumeier, J. J.; Tyson, T. A.

    2010-05-01

    We present detailed local structure measurements (using the extended x-ray absorption fine structure technique) for the colossal magnetoresistive material La1-xCaxMnO3 (0.21

  19. Structural characterization of semicrystalline polymer morphologies by imaging-SANS

    NASA Astrophysics Data System (ADS)

    Radulescu, A.; Fetters, L. J.; Richter, D.

    2012-02-01

    Control and optimization of polymer properties require the global knowledge of the constitutive microstructures of polymer morphologies in various conditions. The microstructural features can be typically explored over a wide length scale by combining pinhole-, focusing- and ultra-small-angle neutron scattering (SANS) techniques. Though it proved to be a successful approach, this involves major efforts related to the use of various scattering instruments and large amount of samples and the need to ensure the same crystallization kinetics for the samples investigated at various facilities, in different sample cell geometries and at different time intervals. With the installation and commissioning of the MgF2 neutron lenses at the KWS-2 SANS diffractometer installed at the Heinz Maier-Leibnitz neutron source (FRMII reactor) in Garching, a wide Q-range, between 10-4Å-1 and 0.5Å-1, can be covered at a single instrument. This enables investigation of polymer microstructures over a length scale from lnm up to 1μm, while the overall polymer morphology can be further examined up to 100μm by optical microscopy (including crossed polarizers). The study of different semi-crystalline polypropylene-based polymers in solution is discussed and the new imaging-SANS approach allowing for an unambiguous and complete structural characterization of polymer morphologies is presented.

  20. Crystal structure controlled synthesis and characterization of copper sulfide nanoparticles

    NASA Astrophysics Data System (ADS)

    Senthilkumar, M.; Babu, S. Moorthy

    2016-05-01

    Phase pure, controlled crystal structure of digenite (Cu9S5) copper sulfide nanoparticles were synthesized by hot injection method at the temperature of 180°C. The mixture of Oleylamine, 1-Octadecene and 1-Dodecanethiol were taken as solvent as well as capping agents. The effect of the mixture of solvents on the phase formation and morphology of the synthesized nanoparticles were analysed. The nanocrystals were characterized using X-Ray diffraction (XRD) which confirms the presence of single phase rhombohedral digenite Cu9S5 NPs, Morphological analysis clearly depicts the formation of hexagonal faceted Cu9S5 NPs, Energy dispersive X-ray absorption spectroscopy (EDS) reveals the stoichiometric ratio of 1.8:1 for synthesized NPs. From the UV-Vis absorption spectroscopy the bandgap value of Cu1.8S is found to be 1.71 eV. The presence of capping agents along the surface of the Cu9S5 NPs was confirmed from FTIR analysis.

  1. Identification and Structural Characterization of a Legionella Phosphoinositide Phosphatase*

    PubMed Central

    Toulabi, Leila; Wu, Xiaochun; Cheng, Yanshu; Mao, Yuxin

    2013-01-01

    Bacterial pathogen Legionella pneumophila is the causative agent of Legionnaires' disease, which is associated with intracellular replication of the bacteria in macrophages of human innate immune system. Recent studies indicate that pathogenic bacteria can subvert host cell phosphoinositide (PI) metabolism by translocated virulence effectors. However, in which manner Legionella actively exploits PI lipids to benefit its infection is not well characterized. Here we report that L. pneumophila encodes an effector protein, named SidP, that functions as a PI-3-phosphatase specifically hydrolyzing PI(3)P and PI(3,5)P2 in vitro. This activity of SidP rescues the growth phenotype of a yeast strain defective in PI(3)P phosphatase activity. Crystal structure of SidP orthologue from Legionella longbeachae reveals that this unique PI-3-phosphatase is composed of three distinct domains: a large catalytic domain, an appendage domain that is inserted into the N-terminal portion of the catalytic domain, and a C-terminal α-helical domain. SidP has a small catalytic pocket that presumably provides substrate specificity by limiting the accessibility of bulky PIs with multiple phosphate groups. Together, our identification of a unique family of Legionella PI phosphatases highlights a common scheme of exploiting host PI lipids in many intracellular bacterial pathogen infections. PMID:23843460

  2. Synthesis, single crystal structure and characterization of pentanitromonoformylhexaazaisowurtzitane.

    PubMed

    Chen, Huaxiong; Chen, Shusen; Li, Lijie; Jiao, Qingze; Wei, Tianyu; Jin, Shaohua

    2010-03-15

    Pentanitromonoformylhexaazaisowurtzitane (PNMFIW) was synthesized by the nitrolysis of tetraacetyldiformylhexaazaisowurtzitane (TADFIW) in mixed nitric and sulfuric acids and structurally characterized by element analysis, FT-IR, MS and (1)H NMR. Single crystals of PNMFIW were grown from aqueous solution employing the technique of controlled evaporation. PNMFIW belongs to the orthorhombic system having four molecules in the unit cell, with space group P2(1)2(1)2(1) and the lattice parameters a=8.8000(18)A, b=12.534(2)A, and c=12.829(3)A. The calculated density reaches 1.977 g/cm(3) at 93 K, while the experimental density is 1.946 g/cm(3) at 20 degrees C. The calculated detonation velocity and pressure of PNMFIW according to the experimental density are 9195.76 m/s and 39.68G Pa, respectively. PNMFIW is insensitive compared with epsilon-HNIW through drop hammer impact sensitivity test. PMID:19913358

  3. Structural Characterization of Hydroxyl Radical Adducts in Aqueous Media

    NASA Astrophysics Data System (ADS)

    Janik, Ireneusz; Tripathi, G. N. R.

    2015-06-01

    The oxidation by the hydroxyl (OH) radical is one of the most widely studied reactions because of its central role in chemistry, biology, organic synthesis, and photocatalysis in aqueous environments, wastewater treatment, and numerous other chemical processes. Although the redox potential of OH is very high, direct electron transfer (ET) is rarely observed. If it happens, it mostly proceeds through the formation of elusive OH adduct intermediate which facilitates ET and formation of hydroxide anion. Using time resolved resonance Raman technique we structurally characterized variety of OH adducts to sulfur containing organic compounds, halide ions as well as some metal cations. The bond between oxygen of OH radical and the atom of oxidized molecule differs depending on the nature of solute that OH radical reacts with. For most of sulfur containing organics, as well as halide and pseudo-halide ions, our observation suggested that this bond has two-center three-electron character. For several metal aqua ions studied, the nature of the bond depends on type of the cation being oxidized. Discussion on spectral parameters of all studied hydroxyl radical adducts as well as the role solvent plays in their stabilization will be presented.

  4. Characterizing unknown systematics in large scale structure surveys

    SciTech Connect

    Agarwal, Nishant; Ho, Shirley; Myers, Adam D.; Seo, Hee-Jong; Ross, Ashley J.; Bahcall, Neta; Brinkmann, Jonathan; Eisenstein, Daniel J.; Muna, Demitri; Palanque-Delabrouille, Nathalie; Yèche, Christophe; Petitjean, Patrick; Schneider, Donald P.; Streblyanska, Alina; Weaver, Benjamin A.

    2014-04-01

    Photometric large scale structure (LSS) surveys probe the largest volumes in the Universe, but are inevitably limited by systematic uncertainties. Imperfect photometric calibration leads to biases in our measurements of the density fields of LSS tracers such as galaxies and quasars, and as a result in cosmological parameter estimation. Earlier studies have proposed using cross-correlations between different redshift slices or cross-correlations between different surveys to reduce the effects of such systematics. In this paper we develop a method to characterize unknown systematics. We demonstrate that while we do not have sufficient information to correct for unknown systematics in the data, we can obtain an estimate of their magnitude. We define a parameter to estimate contamination from unknown systematics using cross-correlations between different redshift slices and propose discarding bins in the angular power spectrum that lie outside a certain contamination tolerance level. We show that this method improves estimates of the bias using simulated data and further apply it to photometric luminous red galaxies in the Sloan Digital Sky Survey as a case study.

  5. Characterization of Chitin and Chitosan Molecular Structure in Aqueous Solution

    SciTech Connect

    Franca, Eduardo D.; Lins, Roberto D.; Freitas, Luiz C.; Straatsma, t. P.

    2008-11-08

    Molecular dynamics simulations have been used to characterize the structure of chitin and chitosan fibers in aqueous solutions. Chitin fibers, whether isolated or in the form of a β-chitin nanoparticle, adopt the so-called 2-fold helix with Φ and φ values similar to its crystalline state. In solution, the intramolecular hydrogen bond HO3(n)•••O5(n+1) responsible for the 2-fold helical motif is stabilized by hydrogen bonds with water molecules in a well-defined orientation. On the other hand, chitosan can adopt five distinct helical motifs and its conformational equilibrium is highly dependent on pH. The hydrogen bond pattern and solvation around the O3 atom of insoluble chitosan (basic pH) are nearly identical to these quantities in chitin. Our findings suggest that the solubility and conformation of these polysaccharides are related to the stability of the intrachain HO3(n)•••O5(n+1) hydrogen bond, which is affect by the water exchange around the O3-HO3 hydroxyl group.

  6. Detailed Characterization of a Nanosecond-Lived Excited State: X-ray and Theoretical Investigation of the Quintet State in Photoexcited [Fe(terpy) 2 ] 2+

    DOE PAGESBeta

    Vanko, Gyorgy; Bordage, Amelie; Papai, Matyas; Haldrup, Kristoffer; Glatzel, Pieter; March, Anne Marie; Doumy, Gilles; Britz, Alexander; Galler, Andreas; Assefa, Tadesse; et al

    2015-03-19

    Theoretical predictions show that depending on the populations of the Fe 3dxy, 3dxz, and 3dyz orbitals two possible quintet states can exist for the high-spin state of the photoswitchable model system [Fe(terpy)2]2+. The differences in the structure and molecular properties of these 5B2 and 5E quintets are very small and pose a substantial challenge for experiments to resolve them. Yet for a better understanding of the physics of this system, which can lead to the design of novel molecules with enhanced photoswitching performance, it is vital to determine which high-spin state is reached in the transitions that follow the lightmore » excitation. The quintet state can be prepared with a short laser pulse and can be studied with cutting-edge time-resolved X-ray techniques. Here we report on the application of an extended set of X-ray spectroscopy and scattering techniques applied to investigate the quintet state of [Fe(terpy)2]2+ 80 ps after light excitation. High-quality X-ray absorption, nonresonant emission, and resonant emission spectra as well as X-ray diffuse scattering data clearly reflect the formation of the high-spin state of the [Fe(terpy)2]2+ molecule; moreover, extended X-ray absorption fine structure spectroscopy resolves the Fe–ligand bond-length variations with unprecedented bond-length accuracy in time-resolved experiments. With ab initio calculations we determine why, in contrast to most related systems, one configurational mode is insufficient for the description of the low-spin (LS)–high-spin (HS) transition. We identify the electronic structure origin of the differences between the two possible quintet modes, and finally, we unambiguously identify the formed quintet state as 5E, in agreement with our theoretical expectations.« less

  7. Detailed Characterization of a Nanosecond-Lived Excited State: X-ray and Theoretical Investigation of the Quintet State in Photoexcited [Fe(terpy)2]2+

    PubMed Central

    2015-01-01

    Theoretical predictions show that depending on the populations of the Fe 3dxy, 3dxz, and 3dyz orbitals two possible quintet states can exist for the high-spin state of the photoswitchable model system [Fe(terpy)2]2+. The differences in the structure and molecular properties of these 5B2 and 5E quintets are very small and pose a substantial challenge for experiments to resolve them. Yet for a better understanding of the physics of this system, which can lead to the design of novel molecules with enhanced photoswitching performance, it is vital to determine which high-spin state is reached in the transitions that follow the light excitation. The quintet state can be prepared with a short laser pulse and can be studied with cutting-edge time-resolved X-ray techniques. Here we report on the application of an extended set of X-ray spectroscopy and scattering techniques applied to investigate the quintet state of [Fe(terpy)2]2+ 80 ps after light excitation. High-quality X-ray absorption, nonresonant emission, and resonant emission spectra as well as X-ray diffuse scattering data clearly reflect the formation of the high-spin state of the [Fe(terpy)2]2+ molecule; moreover, extended X-ray absorption fine structure spectroscopy resolves the Fe–ligand bond-length variations with unprecedented bond-length accuracy in time-resolved experiments. With ab initio calculations we determine why, in contrast to most related systems, one configurational mode is insufficient for the description of the low-spin (LS)–high-spin (HS) transition. We identify the electronic structure origin of the differences between the two possible quintet modes, and finally, we unambiguously identify the formed quintet state as 5E, in agreement with our theoretical expectations. PMID:25838847

  8. A Detailed 3D Seismic Velocity Structure of the Subducting Pacific Slab Beneath Hokkaido, Tohoku and Kanto, Japan, by Double-Difference Tomography

    NASA Astrophysics Data System (ADS)

    Tsuji, Y.; Nakajima, J.; Kita, S.; Okada, T.; Matsuzawa, T.; Hasegawa, A.

    2007-12-01

    Three-dimensional heterogeneous structure beneath northeastern (NE) Japan has been investigated by previous studies and an inclined seismic low-velocity zone is imaged in the mantle wedge sub-parallel to the down-dip direction of the subducting slab (Zhao et al., 1992, Nakajima et al., 2001). However, the heterogeneous structure within the slab has not been well studied even though it is very important to understand the whole process of water transportation from the slab to the surface. Here we show a detailed 3D seismic velocity structure within the subducted Pacific slab around Japan and propose a water-transportation path from the slab to the mantle wedge. In this study, we estimated 3D velocity structure within the Pacific slab by the double-difference tomography (Zhang and Thurber, 2003). We divided the study area, from Hokkaido to Kanto, into 6 areas due to the limitation of memory and computation time. In each area, arrival-time data of 7,500-17,000 events recorded at 70-170 stations were used in the analysis. The total number of absolute travel-time data was about 140,000-312,000 for P wave and 123,000-268,000 for S wave, and differential data were about 736,000-1,920,000 for P wave and 644,000-1,488,000 for S wave. Horizontal and vertical grid separations are 10-25 km and 6.5 km, respectively. RMS residuals of travel times for P wave decreased from 0.23s to 0.09s and for S wave from 0.35s to 0.13s. The obtained results are as follows: (1) a remarkable low-Vs zone exists in the uppermost part of the subducting slab, (2) it extends down to a depth of about 80 km, (3) the termination of this low-Vs zone almost corresponds to the "seismic belt" recently detected in the upper plane of the double seismic zone (Kita et al.,2006; Hasegawa et al., 2007), (4) at depths deeper than 80 km, a low-Vs and high-Vp/Vs zone is apparently distributed in the mantle wedge, immediately above the slab crust. We consider that these features reflect water-transportation processes

  9. Heterozygous deletion of CHL1 gene: detailed array-CGH and clinical characterization of a new case and review of the literature.

    PubMed

    Tassano, Elisa; Biancheri, Roberta; Denegri, Laura; Porta, Simona; Novara, Francesca; Zuffardi, Orsetta; Gimelli, Giorgio; Cuoco, Cristina

    2014-01-01

    CHL1 gene maps at 3p26.3 and encodes a cell adhesion molecule of the immunoglobulin superfamily highly expressed in the brain. CHL1 regulates neuronal migration and neurite overgrowth in the developing brain, while in mature neurons it accumulates in the axonal membrane and regulates synapse function via the clathrin-dependent pathways. To our knowledge, to date only three familial cases presenting heterozygous deletion of chromosome 3 at band p26.3, including only the CHL1 gene, have been reported. All the patients presented cognitive impairment characterized by learning and language difficulties. Here, we describe a six-year-old boy in which array-CGH analysis disclosed a terminal 3p26.3 deletion. The deletion was transmitted from his normal mother and included only the CHL1 gene. Our patient presented microcephaly, short stature, mild mental retardation, learning and language delay, and strabismus. In our study we compare the phenotypic and molecular cytogenetic features of CHL1 gene deletion cases. Verbal function developmental delay seems to be a common key finding. The concomitance of the genetic and phenotypic alterations could be a good evidence of a new emerging syndrome associated with the deletion of CHL1 gene alone, although the identification of new cases is required. PMID:25451713

  10. The know unknowns: Detailed simulations and low-order modeling to characterize facility-induced non-idealities in chemical-kinetics experiments

    NASA Astrophysics Data System (ADS)

    Ihme, Matthias

    2013-11-01

    Experimental investigations to study chemical-kinetics processes, reaction-rates or ignition properties are frequently accompanied by facility-induced non-idealities. Examples are turbulence and thermo-viscous boundary layers in rapid compression machines, temperature fluctuations and mixture inhomogeneities in flow-reactors, or shock-bifurcations and pressure drifts in shock-tubes. Although experimental investigations are carefully conducted to mitigate these effects, they are difficult to quantify experimentally. Simulations can assist in identifying these non-idealities and in guiding experimental instrumentation to improve measurement accuracies. This presentation discusses three different modeling approaches to characterize facility-effects in rapid compression machines, flow reactors, and shock-tubes. After providing an overview about these facilities and describing the underlying models, examples are presented to illustrate effects of turbulence, mixture-inhomogeneities, heat-losses, and thermal stratification on the ignition dynamics in these facilities. Diagnostics is developed to assess the sensitivity of the induction chemistry and to quantify reliable operating regimes that are not contaminated by these non-ideal processes.

  11. Structure and characterization of RNase H3 from Aquifex aeolicus.

    PubMed

    Jongruja, Nujarin; You, Dong-Ju; Angkawidjaja, Clement; Kanaya, Eiko; Koga, Yuichi; Kanaya, Shigenori

    2012-08-01

    The crystal structure of ribonuclease H3 from Aquifex aeolicus (Aae-RNase H3) was determined at 2.0 Å resolution. Aae-RNase H3 consists of an N-terminal TATA box-binding protein (TBP)-like domain (N-domain) and a C-terminal RNase H domain (C-domain). The structure of the C-domain highly resembles that of Bacillus stearothermophilus RNase H3 (Bst-RNase H3), except that it contains three disulfide bonds, and the fourth conserved glutamate residue of the Asp-Glu-Asp-Glu active site motif (Glu198) is located far from the active site. These disulfide bonds were shown to contribute to hyper-stabilization of the protein. Non-conserved Glu194 was identified as the fourth active site residue. The structure of the N-domain without the C-domain also highly resembles that of Bst-RNase H3. However, the arrangement of the N-domain relative to the C-domain greatly varies for these proteins because of the difference in the linker size between the domains. The linker of Bst-RNase H3 is relatively long and flexible, while that of Aae-RNase H3 is short and assumes a helix formation. Biochemical characterizations of Aae-RNase H3 and its derivatives without the N- or C-domain or with a mutation in the N-domain indicate that the N-domain of Aae-RNase H3 is important for substrate binding, and uses the flat surface of the β-sheet for substrate binding. However, this surface is located far from the active site and on the opposite side to the active site. We propose that the N-domain of Aae-RNase H3 is required for initial contact with the substrate. The resulting complex may be rearranged such that only the C-domain forms a complex with the substrate. PMID:22686566

  12. Pore- and micro-structural characterization of a novel structural binder based on iron carbonation

    SciTech Connect

    Das, Sumanta; Stone, David; Convey, Diana; Neithalath, Narayanan

    2014-12-15

    The pore- and micro-structural features of a novel binding material based on the carbonation of waste metallic iron powder are reported in this paper. The binder contains metallic iron powder as the major ingredient, followed by additives containing silica and alumina to facilitate favorable reaction product formation. Compressive strengths sufficient for a majority of concrete applications are attained. The material pore structure is investigated primarily through mercury intrusion porosimetry whereas electron microscopy is used for microstructural characterization. Reduction in the overall porosity and the average pore size with an increase in carbonation duration from 1 day to 4 days is noticed. The pore structure features are used in predictive models for gas and moisture transport (water vapor diffusivity and moisture permeability) through the porous medium which dictates its long-term durability when used in structural applications. Comparisons of the pore structure with those of a Portland cement paste are also provided. The morphology of the reaction products in the iron-based binder, and the distribution of constituent elements in the microstructure are also reported. - Highlights: • Carbonation of iron produces a dense microstructure. • Pore volume in iron carbonate lower, critical size higher than those in OPC pastes • Reaction product contains iron, carbon, silicon, aluminum and calcium. • Power-law for porosity-moisture permeability relationship was established.

  13. Rockfall source characterization at high rock walls in complex geological settings by photogrammetry, structural analysis and DFN techniques

    NASA Astrophysics Data System (ADS)

    Agliardi, Federico; Riva, Federico; Galletti, Laura; Zanchi, Andrea; Crosta, Giovanni B.

    2016-04-01

    Rockfall quantitative risk analysis in areas impended by high, subvertical cliffs remains a challenge, due to the difficult definition of potential rockfall sources, event magnitude scenarios and related probabilities. For this reasons, rockfall analyses traditionally focus on modelling the runout component of rockfall processes, whereas rock-fall source identification, mapping and characterization (block size distribution and susceptibility) are over-simplified in most practical applications, especially when structurally complex rock masses are involved. We integrated field and remote survey and rock mass modelling techniques to characterize rock masses and detect rockfall source in complex geo-structural settings. We focused on a test site located at Valmadrera, near Lecco (Southern Alps, Italy), where cliffs up to 600 m high impend on a narrow strip of Lake Como shore. The massive carbonates forming the cliff (Dolomia Principale Fm), normally characterized by brittle structural associations due to their high strength and stiffness, are here involved in an ENE-trending, S-verging kilometre-scale syncline. Brittle mechanisms associated to folding strongly controlled the nature of discontinuities (bedding slip, strike-slip faults, tensile fractures) and their attributes (spacing and size), as well as the spatial variability of bedding attitude and fracture intensity, with individual block sizes up to 15 m3. We carried out a high-resolution terrestrial photogrammetric survey from distances ranging from 1500 m (11 camera stations from the opposite lake shore, 265 pictures) to 150 m (28 camera stations along N-S directed boat routes, 200 pictures), using RTK GNSS measurements for camera station geo-referencing. Data processing by Structure-from-Motion techniques resulted in detailed long-range (1500 m) and medium-range (150 to 800 m) point clouds covering the entire slope with maximum surface point densities exceeding 50 pts/m2. Point clouds allowed a detailed

  14. Structural characterization and electronic structure of laser treated TiN thin film

    SciTech Connect

    Soni, Sheetal; Nair, K. G. M.; Phase, D. M.; Gupta, Ratnesh

    2012-06-05

    TiN thin films prepared by laser treatment using Kr-F excimer laser in the controlled atmosphere. The depth distribution and composition of nitrogen and contaminated oxygen have been determined by non-Rutherford proton backscattering using 1.7 MeV Tendetron accelerator. The electronic structure of TiN thin film have been characterized by resonant photoelectron spectroscopy using indus-I synchrotron radiation. Specifically, complex resonance profile that shows the enhancement at 45 eV which is consistent with the resonant photoemission of Ti 3d states involved in the Titanium nitride and oxide.

  15. Structural characterization of interfaces in epitaxial Fe/MgO/Fe magnetic tunnel junctions by transmission electron microscopy

    SciTech Connect

    Wang, C.; Chang, L. Y.; Choi, S.-Y.; Kirkland, A. I.; Kohn, A.; Wang, S. G.; Petford-Long, A. K.; Ward, R. C. C.

    2010-07-01

    We present a detailed structural characterization of the interfaces in Fe/MgO/Fe layers grown by molecular-beam epitaxy using aberration-corrected transmission electron microscopy (TEM), scanning TEM, and electron energy-loss spectroscopy. When fabricated into magnetic tunnel junctions, these epitaxial devices exhibit large tunnel magnetoresistance ratios (e.g., 318% at 10 K), though still considerably lower than the values predicted theoretically. The reason for this discrepancy is being debated and has been attributed to the structure of, and defects at the interface, namely, the relative position of the atoms, interface oxidation, strain, and structural asymmetry of the interfaces. In this structural study, we observed that Fe is bound to O at the interfaces. The interfaces are semicoherent and mostly sharp with a minor degree of oxidation. A comparison of the two interfaces shows that the top MgO/Fe interface is rougher.

  16. Remote Characterization of Forest Structure Using 5 and 10m SPOT-5 Satellite Data

    NASA Astrophysics Data System (ADS)

    Wolter, P. T.; Townsend, P. A.; Sturtevant, B. R.

    2008-12-01

    Comprehensive understanding of forest dynamics at regional or biome scales is linked to our ability to accurately characterize forest ecosystems over increasingly large areas using remote sensing. LIDAR technology, although promising, is currently not yet viable for repeated regional accounting, necessitating the development of methods which take advantage of existing spaceborne assets. As such, our objective is to estimate a comprehensive set of forest structural attributes at a finer spatial grain size (10 m) over a broader area than is currently available. We employ neighborhood statistics (standard deviation, variance, sill variance, and ratios of these metrics at 5 and 10m) calculated from SPOT-5 data and derivatives to estimate and map forest structural characteristics. A partial least squares (PLS) regression approach was used with the local statistics and field data to produce models for pixel-wise estimation and mapping of mean values, respectively, for deciduous and coniferous forest canopy diameter (R2 = 0.82 and 0.93), tree height (R2 = 0.69 and 0.92), height of live crown (R2 = 0.58 and 0.81), canopy closure (R2 = 0.52 and 0.68), bole diameter at breast height (R2 = 0.82 and 0.90), and basal area (R2 = 0.71 and 0.74) for a 3,660 km2 area in northeast Minnesota. This approach for quantifying forest structure is robust in the sense that a detailed forest cover type map is not required at any step in the process. Hence, we show that multi-resolution SPOT-5 data may be used as a practical alternative to LIDAR for regional characterization of forest biophysical parameters.

  17. Structural characterization of complex O-linked glycans from insect-derived material.

    PubMed

    Garenaux, Estelle; Maes, Emmanuel; Levêque, S; Brassart, Colette; Guerardel, Yann

    2011-07-01

    Although insects are among the most diverse groups of the animal kingdom and may be found in nearly all environments, one can observe an obvious lack of structural data on their glycosylation ability. Hymenoptera is the second largest of all insect orders with more than 110,000 identified species and includes the most famous examples of social insects' species such as wasps, bees and ants. In this report, the structural variety of O-glycans has been studied in two Hymenoptera species. In a previous study, we showed that major O-glycans from common wasp (Vespula germanica) salivary mucins correspond to T and Tn antigen, eventually substituted by phosphoethanolamine or phosphate groups. More detailed structural analysis performed by mass spectrometry revealed numerous minor O-glycan structures bearing Gal, GlcNAc, GalNAc and Fuc residues. Thus, in order to investigate glycosylation diversity in insects, we used common wasp nest (V. germanica) and hornet nest (Vespa cabro) as starting materials. These materials were submitted to reductive β-elimination and the released oligosaccharide-alditols further fractionated by multidimensional HPLC. Tandem mass spectrometry analyses combined with NMR data revealed the presence of various families of complex O-glycans differing accordingly to both core structures and external motifs. Glycans from wasp were characterized by the presence of core types 1 and 2, Lewis X and internal Gal-Gal motifs. We also observed unusual O-glycans containing a reducing GalNAc unit directly substituted by a fucose residue. In contrast, hornet O-glycans appeared as a rather homogeneous family of core 1 type O-glycans extended by galactose oligomers. PMID:21536259

  18. Underground structure characterization using motor vehicles as passive seismic sources

    NASA Astrophysics Data System (ADS)

    Kuzma, H. A.; Liu, Y.; Zhao, Y.; Rector, J.; Vaidya, S.

    2009-12-01

    The ability to detect and characterize underground voids will be critical to the success of On-Site Inspections (OSI) as mandated by the nuclear Comprehensive Test Ban Treaty (CTBT). OSIs may be conducted in order to successfully locate the Ground Zero of underground tests as well as infrastructure related to testing. Recently, our team has shown the potential of a new technique to detect underground objects using the amplitude of seismic surface waves generated by motor vehicles. In an experiment conducted in June, 2009 we were able to detect an abandoned railroad tunnel by recognizing a clear pattern in the surface waves scattered by the tunnel, using a signal generated by driving a car on a dirt road across the tunnel. Synthetic experiments conducted using physically realistic wave-equation models further suggest that the technique can be readily applied to detecting underground features: it may be possible to image structures of importance to OSI simply by laying out an array of geophones (or using an array already in place for passive listening for event aftershocks) and driving vehicles around the site. We present evidence from a set of field experiments and from synthetic modeling and inversion studies to illustrate adaptations of the technique for OSI. Signature of an abandoned underground railroad tunnel at Donner Summit, CA. To produce this image, a line of geophones was placed along a dirt road perpendicular to the tunnel (black box) and a single car was driven along the road. A normalized mean power-spectrum is displayed on a log scale as a function of meters from the center of the tunnel. The top of the tunnel was 18m below ground surface. The tunnel anomaly is made up of a shadow (light) directly above the tunnel and amplitude build-up (dark) on either side of the tunnel. The size of the anomaly (6 orders of magnitude) suggests that the method can be extended to find deep structures at greater distances from the source and receivers.

  19. Group 12 metal zwitterionic thiolate compounds: preparation and structural characterization.

    PubMed

    Tang, Xiao-Yan; Yuan, Rong-Xin; Chen, Jin-Xiang; Zhao, Wei; Zheng, Ai-Xia; Yu, Miao; Li, Hong-Xi; Ren, Zhi-Gang; Lang, Jian-Ping

    2012-05-28

    Reactions of TabHPF(6) (Tab = 4-(trimethylammonio)benzenethiolate) with three equiv. of M(OAc)(2)·2H(2)O (M = Zn, Cd) gave rise to two tetranuclear adamantane-like compounds, [M(4)(μ-Tab)(6)(Tab)(4)](PF(6))(8)·S (·S: M = Zn, S = DMF·4H(2)O; ·S: M = Cd, S = DMF·5H(2)O). The similar reactions of MCl(2) (M = Zn, Cd, Hg) with four equiv. of TabHPF(6) in the presence of Et(3)N afforded three mononuclear compounds [M(Tab)(4)](PF(6))(2)·S (·S: M = Zn, S = 2(H(2)O)(0.5); ·S: M = Cd, S = 2(H(2)O)(0.5); ·S: M = Hg, S = 2DMF). Treatment of the precursor complex or with equimolar MCl(2) and two equiv. of TabHPF(6) and Et(3)N produced one dinuclear compounds [M(μ-Tab)(Tab)(2)](2)(PF(6))(4)·2DMF·2H(2)O (·2DMF·2H(2)O: M = Zn; ·2DMF·2H(2)O: M = Hg) while analogous reactions of with CdCl(2)·2H(2)O gave rise to [Cd(μ-Tab)(2)(Tab)](2)(PF(6))(4)·2DMF (·2DMF). These compounds were characterized by elemental analysis, IR spectra, UV-Vis spectra, (1)H NMR and single-crystal X-ray crystallography. In or , four M(2+) ions and six S atoms of Tab ligands constitute an adamantane-like [M(4)(μ-S)(6)] cage in which each M(2+) ion is tetrahedrally coordinated by one terminal S and three bridged S atoms from four different Tab ligands. In , each M(2+) center of the [M(Tab)(4)](2+) dication is tetrahedrally coordinated by four S atoms of Tab ligand. Two [M(Tab)(2)](2+) dications in or are further bridged by a pair of Tab ligands to form a dimeric [M(μ-Tab)(Tab)(2)](2)(4+) structure. Each dimeric [(Tab)Cd(μ-Tab)(2)Cd(Tab)](4+) unit in is linked to its two neighboring units via two couples of bridging Tab ligands, thereby generating a unique 1D cationic chain. These results may provide useful information on interpreting structural data of MTs containing group 12 metals. PMID:22546878

  20. Structural and Biochemical Characterization of Peroxiredoxin Qβ from Xylella fastidiosa

    PubMed Central

    Horta, Bruno Brasil; de Oliveira, Marcos Antonio; Discola, Karen Fulan; Cussiol, José Renato Rosa; Netto, Luis Eduardo Soares

    2010-01-01

    The phytopathogenic bacterium Xylella fastidiosa is the etiological agent of various plant diseases. To survive under oxidative stress imposed by the host, microorganisms express antioxidant proteins, including cysteine-based peroxidases named peroxiredoxins. This work is a comprehensive analysis of the catalysis performed by PrxQ from X. fastidiosa (XfPrxQ) that belongs to a peroxiredoxin class still poorly characterized and previously considered as moderately reactive toward hydroperoxides. Contrary to these assumptions, our competitive kinetics studies have shown that the second-order rate constants of the peroxidase reactions of XfPrxQ with hydrogen peroxide and peroxynitrite are in the order of 107 and 106 m−1 s−1, respectively, which are as fast as the most efficient peroxidases. The XfPrxQ disulfides were only slightly reducible by dithiothreitol; therefore, the identification of a thioredoxin system as the probable biological reductant of XfPrxQ was a relevant finding. We also showed by site-specific mutagenesis and mass spectrometry that an intramolecular disulfide bond between Cys-47 and Cys-83 is generated during the catalytic cycle. Furthermore, we elucidated the crystal structure of XfPrxQ C47S in which Ser-47 and Cys-83 lie ∼12.3 Å apart. Therefore, significant conformational changes are required for disulfide bond formation. In fact, circular dichroism data indicated that there was a significant redox-dependent unfolding of α-helices, which is probably triggered by the peroxidatic cysteine oxidation. Finally, we proposed a model that takes data from this work as well data as from the literature into account. PMID:20335172

  1. Detailed petrophysical and geophysical characterization of core samples from the potential caprock-reservoir system in the Sulcis Coal Basin (South-Western Sardinia - Italy).

    NASA Astrophysics Data System (ADS)

    Fais, Silvana; Ligas, Paola; Cuccuru, Francesco; Maggio, Enrico; Plaisant, Alberto; Pettinau, Alberto

    2015-04-01

    The evaluation of the CO2 geologic storage site requires a robust experimental database especially with respect to spatial petrophysical heterogeneities. The integrated analysis of minero-petrographical, physical and geophysical parameters (e.g. longitudinal and transversal propagation velocity, VpVs ratio, dynamic elastic moduli, etc.) of the rocks that make up a caprock-reservoir system can substantially reduce the geologic uncertainity in the storage site characterization and in the geological and numerical modelling for the evaluation of the CO2 storage capacity. In this study the Middle Eocene - Lower Oligocene Cixerri Formation made up of siliciclastic rocks and the Upper Thanetian - Lower Ypresian Miliolitico Carbonate Complex in the Sulcis coal basin (South-Western Sardinia - Italy) have been identified respectively as potential caprock and reservoir for the CO2 storage. The petrographical, physical and geophysical parameters of the above mentioned geological Formations (Cixerri and Milolitico) were investigated to improve the geological model aimed at verifying the geological CO2 storage capacity within the carbonate reservoir rocks, in order to guarantee an efficient use of the reservoir, and to improve the numerical simulation of CO2 behaviour in the short, medium and long term after its injection in single or multiple wells. . The petrographical characteristics of the caprock-reservoir rocks were determined by optical and SEM analyses of core samples representing the different facies of the Cixerri Formation and of the Miliolitico Carbonate Complex, provided by Carbosulcis S.p.A.. Porosity analysis was completed by mercury porosimeter determinations which also provided quantitative information on the permeability of the study rocks and on the tortuosity of their pore system. Further physical properties, such as dry and saturated density and porosity, and water absorption were determined on the cylindrical core samples of intact rocks (ISRM, 1979) from

  2. Crowdsourcing detailed flood data

    NASA Astrophysics Data System (ADS)

    Walliman, Nicholas; Ogden, Ray; Amouzad*, Shahrzhad

    2015-04-01

    Over the last decade the average annual loss across the European Union due to flooding has been 4.5bn Euros, but increasingly intense rainfall, as well as population growth, urbanisation and the rising costs of asset replacements, may see this rise to 23bn Euros a year by 2050. Equally disturbing are the profound social costs to individuals, families and communities which in addition to loss of lives include: loss of livelihoods, decreased purchasing and production power, relocation and migration, adverse psychosocial effects, and hindrance of economic growth and development. Flood prediction, management and defence strategies rely on the availability of accurate information and flood modelling. Whilst automated data gathering (by measurement and satellite) of the extent of flooding is already advanced it is least reliable in urban and physically complex geographies where often the need for precise estimation is most acute. Crowdsourced data of actual flood events is a potentially critical component of this allowing improved accuracy in situations and identifying the effects of local landscape and topography where the height of a simple kerb, or discontinuity in a boundary wall can have profound importance. Mobile 'App' based data acquisition using crowdsourcing in critical areas can combine camera records with GPS positional data and time, as well as descriptive data relating to the event. This will automatically produce a dataset, managed in ArcView GIS, with the potential for follow up calls to get more information through structured scripts for each strand. Through this local residents can provide highly detailed information that can be reflected in sophisticated flood protection models and be core to framing urban resilience strategies and optimising the effectiveness of investment. This paper will describe this pioneering approach that will develop flood event data in support of systems that will advance existing approaches such as developed in the in the UK

  3. The refined 1.9-A X-ray crystal structure of D-Phe-Pro-Arg chloromethylketone-inhibited human alpha-thrombin: structure analysis, overall structure, electrostatic properties, detailed active-site geometry, and structure-function relationships.

    PubMed Central

    Bode, W.; Turk, D.; Karshikov, A.

    1992-01-01

    Thrombin is a multifunctional serine proteinase that plays a key role in coagulation while exhibiting several other key cellular bioregulatory functions. The X-ray crystal structure of human alpha-thrombin was determined in its complex with the specific thrombin inhibitor D-Phe-Pro-Arg chloromethylketone (PPACK) using Patterson search methods and a search model derived from trypsinlike proteinases of known spatial structure (Bode, W., Mayr, I., Baumann, U., Huber, R., Stone, S.R., & Hofsteenge, J., 1989, EMBO J. 8, 3467-3475). The crystallographic refinement of the PPACK-thrombin model has now been completed at an R value of 0.156 (8 to 1.92 A); in particular, the amino- and the carboxy-termini of the thrombin A-chain are now defined and all side-chain atoms localized; only proline 37 was found to be in a cis-peptidyl conformation. The thrombin B-chain exhibits the characteristic polypeptide fold of trypsinlike serine proteinases; 195 residues occupy topologically equivalent positions with residues in bovine trypsin and 190 with those in bovine chymotrypsin with a root-mean-square (r.m.s.) deviation of 0.8 A for their alpha-carbon atoms. Most of the inserted residues constitute novel surface loops. A chymotrypsinogen numbering is suggested for thrombin based on the topological equivalences. The thrombin A-chain is arranged in a boomeranglike shape against the B-chain globule opposite to the active site; it resembles somewhat the propeptide of chymotrypsin(ogen) and is similarly not involved in substrate and inhibitor binding. Thrombin possesses an exceptionally large proportion of charged residues. The negatively and positively charged residues are not distributed uniformly over the whole molecule, but are clustered to form a sandwichlike electrostatic potential; in particular, two extended patches of mainly positively charged residues occur close to the carboxy-terminal B-chain helix (forming the presumed heparin-binding site) and on the surface of loop segment 70

  4. Synthesis, structure, and spectroscopic characterization of three uranyl phosphates with unique structural units

    NASA Astrophysics Data System (ADS)

    Wylie, Ernest M.; Dawes, Colleen M.; Burns, Peter C.

    2012-12-01

    Single crystals of Zn4(OH)2[(UO2)(PO4)2(OH)2(H2O)] (UZnP), Cs[(UO2)(HPO4)NO3] (UCsP), and In3[(UO2)2(PO4)4OH(H2O)6].2H2O (UInP) were obtained from hydrothermal reactions and have been structurally and chemically characterized. UZnP crystallizes in space group Pbcn, a=8.8817(7), b=6.6109(5), c=19.569(1) Å; UCsP crystallizes in P-1, a=7.015(2), b=7.441(1), c=9.393(2) Å, α=72.974(2), β=74.261(2), γ=79.498(2); and UInP crystallizes in P-1, a=7.9856(5), b=9.159(1), c=9.2398(6) Å α=101.289(1), β=114.642(1), γ=99.203(2). The U6+ cations are present as (UO2)2+ uranyl ions coordinated by five O atoms to give pentagonal bipyramids. The structural unit in UZnP is a finite cluster containing a uranyl pentagonal bipyramid that shares corners with two phosphate tetrahedra. The structural unit in UCsP is composed of uranyl pentagonal bipyramids with one chelating nitrate group that are linked into chains by three bridging hydrogen phosphate tetrahedra. In UInP, the structural unit contains pairs of edge-sharing uranyl pentagonal bipyramids with two chelating phosphate tetrahedra that are linked into chains through two bridging phosphate tetrahedra. Indium octahedra link these uranyl phosphate chains into a 3-dimensional framework. All three compounds exhibit unique structural units that deviate from the typical layered structures observed in uranyl phosphate solid-state chemistry.

  5. Structure-function characterization reveals new catalytic diversity in the galactose oxidase and glyoxal oxidase family.

    PubMed

    Yin, DeLu Tyler; Urresti, Saioa; Lafond, Mickael; Johnston, Esther M; Derikvand, Fatemeh; Ciano, Luisa; Berrin, Jean-Guy; Henrissat, Bernard; Walton, Paul H; Davies, Gideon J; Brumer, Harry

    2015-01-01

    Alcohol oxidases, including carbohydrate oxidases, have a long history of research that has generated fundamental biological understanding and biotechnological applications. Despite a long history of study, the galactose 6-oxidase/glyoxal oxidase family of mononuclear copper-radical oxidases, Auxiliary Activity Family 5 (AA5), is currently represented by only very few characterized members. Here we report the recombinant production and detailed structure-function analyses of two homologues from the phytopathogenic fungi Colletotrichum graminicola and C. gloeosporioides, CgrAlcOx and CglAlcOx, respectively, to explore the wider biocatalytic potential in AA5. EPR spectroscopy and crystallographic analysis confirm a common active-site structure vis-à-vis the archetypal galactose 6-oxidase from Fusarium graminearum. Strikingly, however, CgrAlcOx and CglAlcOx are essentially incapable of oxidizing galactose and galactosides, but instead efficiently catalyse the oxidation of diverse aliphatic alcohols. The results highlight the significant potential of prospecting the evolutionary diversity of AA5 to reveal novel enzyme specificities, thereby informing both biology and applications. PMID:26680532

  6. Zooming in: Structural Investigations of Rheologically Characterized Hydrogen-Bonded Low-Methoxyl Pectin Networks.

    PubMed

    Mansel, Bradley W; Chu, Che-Yi; Leis, Andrew; Hemar, Yacine; Chen, Hsin-Lung; Lundin, Leif; Williams, Martin A K

    2015-10-12

    Self-assembled hydrogen-bonded networks of the polysaccharide pectin, a mechanically functional component of plant cell walls, have been of recent interest as biomimetic exemplars of physical gels, and the microrheological and strain-stiffening behaviors have been previously investigated. Despite this detailed rheological characterization of preformed gels, little is known about the fundamental arrangement of the polymers into cross-linking junction zones, the size of these bonded regions, and the resultant network architecture in these hydrogen-bonded materials, especially in contrast to the plethora of such information available for their well-known calcium-assembled counterparts. In this work, in concert with pertinent rheological measurements, an in-depth structural study of the hydrogen-bond-mediated gelation of pectins is provided. Gels were realized by using glucona-delta-lactone to decrease the pH of solutions of pectic polymers that had a (blockwise) low degree of methylesterification. Small-angle X-ray scattering and transmission electron microscopy were utilized to access structural information on length scales on the order of nanometers to hundreds of nanometers, while complementary mechanical properties were measured predominantly using small amplitude oscillatory shear rheology. PMID:26291120

  7. Functional and structural characterization of an unusual cofactor-independent oxygenase.

    PubMed

    Baas, Bert-Jan; Poddar, Harshwardhan; Geertsema, Edzard M; Rozeboom, Henriette J; de Vries, Marcel P; Permentier, Hjalmar P; Thunnissen, Andy-Mark W H; Poelarends, Gerrit J

    2015-02-10

    The vast majority of characterized oxygenases use bound cofactors to activate molecular oxygen to carry out oxidation chemistry. Here, we show that an enzyme of unknown activity, RhCC from Rhodococcus jostii RHA1, functions as an oxygenase, using 4-hydroxyphenylenolpyruvate as a substrate. This unique and complex reaction yields 3-hydroxy-3-(4-hydroxyphenyl)-pyruvate, 4-hydroxybenzaldehyde, and oxalic acid as major products. Incubations with H2(18)O, (18)O2, and a substrate analogue suggest that this enzymatic oxygenation reaction likely involves a peroxide anion intermediate. Analysis of sequence similarity and the crystal structure of RhCC (solved at 1.78 Å resolution) reveal that this enzyme belongs to the tautomerase superfamily. Members of this superfamily typically catalyze tautomerization, dehalogenation, or decarboxylation reactions rather than oxygenation reactions. The structure shows the absence of cofactors, establishing RhCC as a rare example of a redox-metal- and coenzyme-free oxygenase. This sets the stage to study the mechanistic details of cofactor-independent oxygen activation in the unusual context of the tautomerase superfamily. PMID:25565350

  8. Structural characterization of toxic oligomers that are kinetically trapped during α-synuclein fibril formation

    PubMed Central

    Chen, Serene W.; Drakulic, Srdja; Deas, Emma; Ouberai, Myriam; Aprile, Francesco A.; Arranz, Rocío; Ness, Samuel; Roodveldt, Cintia; Guilliams, Tim; De-Genst, Erwin J.; Klenerman, David; Wood, Nicholas W.; Knowles, Tuomas P.J.; Alfonso, Carlos; Rivas, Germán; Abramov, Andrey Y.; Valpuesta, José María; Dobson, Christopher M.; Cremades, Nunilo

    2015-01-01

    We describe the isolation and detailed structural characterization of stable toxic oligomers of α-synuclein that have accumulated during the process of amyloid formation. Our approach has allowed us to identify distinct subgroups of oligomers and to probe their molecular architectures by using cryo-electron microscopy (cryoEM) image reconstruction techniques. Although the oligomers exist in a range of sizes, with different extents and nature of β-sheet content and exposed hydrophobicity, they all possess a hollow cylindrical architecture with similarities to certain types of amyloid fibril, suggesting that the accumulation of at least some forms of amyloid oligomers is likely to be a consequence of very slow rates of rearrangement of their β-sheet structures. Our findings reveal the inherent multiplicity of the process of protein misfolding and the key role the β-sheet geometry acquired in the early stages of the self-assembly process plays in dictating the kinetic stability and the pathological nature of individual oligomeric species. PMID:25855634

  9. Nanoscale structural and electronic characterization of α-RuCl3 layered compound

    NASA Astrophysics Data System (ADS)

    Ziatdinov, Maxim; Maksov, Artem; Banerjee, Arnab; Zhou, Wu; Berlijn, Tom; Yan, Jiaqiang; Nagler, Stephen; Mandrus, David; Baddorf, Arthur; Kalinin, Sergei

    The exceptional interplay of spin-orbit effects, Coulomb interaction, and electron-lattice coupling is expected to produce an elaborate phase space of α-RuCl3 layered compound, which to date remains largely unexplored. Here we employ a combination of scanning transmission electron microscopy (STEM) and scanning tunneling microscopy (STM) for detailed evaluation of the system's microscopic structural and electronic orders with a sub-nanometer precision. The STM and STEM measurements are further supported by neutron scattering, X-Ray diffraction, density functional theory (DFT), and multivariate statistical analysis. Our results show a trigonal distortion of Cl octahedral ligand cage along the C3 symmetry axes in each RuCl3 layer. The lattice distortion is limited mainly to the Cl subsystem leaving the Ru honeycomb lattice nearly intact. The STM topographic and spectroscopic characterization reveals an intra unit cell electronic symmetry breaking in a spin-orbit coupled Mott insulating phase on the Cl-terminated surface of α-RuCl3. The associated long-range charge order (CO) pattern is linked to a surface component of Cl cage distortion. We finally discuss a fine structure of CO and its potential relation to variations of average unit cell geometries found in multivariate analysis of STEM data. The research was sponsored by the U.S. Department of Energy.

  10. Advances in Chemical and Structural Characterization of Concretion with Implications for Modeling Marine Corrosion

    NASA Astrophysics Data System (ADS)

    Johnson, Donald L.; DeAngelis, Robert J.; Medlin, Dana J.; Carr, James D.; Conlin, David L.

    2014-05-01

    The Weins number model and concretion equivalent corrosion rate methodology were developed as potential minimum-impact, cost-effective techniques to determine corrosion damage on submerged steel structures. To apply the full potential of these technologies, a detailed chemical and structural characterization of the concretion (hard biofouling) that transforms into iron bearing minerals is required. The fractions of existing compounds and the quantitative chemistries are difficult to determine from x-ray diffraction. Environmental scanning electron microscopy was used to present chemical compositions by means of energy-dispersive spectroscopy (EDS). EDS demonstrates the chemical data in mapping format or in point or selected area chemistries. Selected-area EDS data collection at precise locations is presented in terms of atomic percent. The mechanism of formation and distribution of the iron-bearing mineral species at specific locations will be presented. Based on water retention measurements, porosity in terms of void volume varies from 15 v/o to 30 v/o (vol.%). The void path displayed by scanning electron microscopy imaging illustrates the tortuous path by which oxygen migrates in the water phase within the concretion from seaside to metalside.

  11. Non-Linear Structural Dynamics Characterization using a Scanning Laser Vibrometer

    NASA Technical Reports Server (NTRS)

    Pai, P. F.; Lee, S.-Y.

    2003-01-01

    This paper presents the use of a scanning laser vibrometer and a signal decomposition method to characterize non-linear dynamics of highly flexible structures. A Polytec PI PSV-200 scanning laser vibrometer is used to measure transverse velocities of points on a structure subjected to a harmonic excitation. Velocity profiles at different times are constructed using the measured velocities, and then each velocity profile is decomposed using the first four linear mode shapes and a least-squares curve-fitting method. From the variations of the obtained modal \\ielocities with time we search for possible non-linear phenomena. A cantilevered titanium alloy beam subjected to harmonic base-excitations around the second. third, and fourth natural frequencies are examined in detail. Influences of the fixture mass. gravity. mass centers of mode shapes. and non-linearities are evaluated. Geometrically exact equations governing the planar, harmonic large-amplitude vibrations of beams are solved for operational deflection shapes using the multiple shooting method. Experimental results show the existence of 1:3 and 1:2:3 external and internal resonances. energy transfer from high-frequency modes to the first mode. and amplitude- and phase- modulation among several modes. Moreover, the existence of non-linear normal modes is found to be questionable.

  12. Structural and spectroscopic characterization of ettringite mineral -combined DFT and experimental study

    NASA Astrophysics Data System (ADS)

    Scholtzová, Eva; Kucková, Lenka; Kožíšek, Jozef; Tunega, Daniel

    2015-11-01

    The structure of the ettringite mineral was studied by means of FTIR spectroscopy and single crystal X-ray diffraction method. The experimental study was combined with the first principle calculations based on density functional theory (DFT) method. Predicted structural parameters (unit cell vectors and positions of heavy atoms) are in a very good agreement with the experimental data. Moreover, calculations also enabled to refine the positions of the hydrogen atoms not determined precisely by the single crystal X-ray measurement. The detailed analysis of the hydrogen bonds in the ettringite structure was performed and several groups of the hydrogen bonds were classified. It was found that the water molecules from the coordination sphere of Ca2+ cations act as proton donors in moderate O-H···O hydrogen bonds with SO 32- anions. Further, multiple O-H···O hydrogen bonds were identified among water molecules themselves. In addition, also hydroxyl groups from the [Al(OH)6]3- octahedral units are involved in the weak O-H···O hydrogen bonding with the water molecules. The calculated vibrational spectrum showed all typical features observed in the experimental FTIR spectrum. Moreover, performing the analysis of the calculated spectrum, all vibrational modes were distinguished and assigned. Such a complete analysis of the measured IR and/or Raman spectra is not fully possible, specifically for the region below 1500 cm-1, which is characterized by a complex curve with many overlapped bands. A comparison of the vibrational spectra of ettringite and thaumasite (mineral structurally similar to ettringite) revealed the origin of the most important differences between them.

  13. Conformational characterization of the intrinsically disordered protein Chibby: Interplay between structural elements in target recognition.

    PubMed

    Killoran, Ryan C; Sowole, Modupeola A; Halim, Mohammad A; Konermann, Lars; Choy, Wing-Yiu

    2016-08-01

    The protein Chibby (Cby) is an antagonist of the Wnt signaling pathway, where it inhibits the binding between the transcriptional coactivator β-catenin and the Tcf/Lef transcription factors. The 126 residue Cby is partially disordered; its N-terminal half is unstructured while its C-terminal half comprises a coiled-coil domain. Previous structural analyses of Cby using NMR spectroscopy suffered from severe line broadening for residues within the protein's C-terminal half, hindering detailed characterization of the coiled-coil domain. Here, we use hydrogen/deuterium exchange-mass spectrometry (HDX-MS) to examine Cby's C-terminal half. Results reveal that Cby is divided into three structural elements: a disordered N-terminal half, a coiled-coil domain, and a C-terminal unstructured extension consisting of the last ∼ 25 residues (which we term C-terminal extension). A series of truncation constructs were designed to assess the roles of individual structural elements in protein stability and Cby binding to TC-1, a positive regulator of the Wnt signaling pathway. CD and NMR data show that Cby maintains coiled-coil structure upon deletion of either disordered region. NMR and ITC binding experiments between Cby and TC-1 illustrate that the interaction is retained upon deletion of either Cby's N-terminal half or its C-terminal extension. Intriguingly, Cby's C-terminal half alone binds to TC-1 with significantly greater affinity compared to full-length Cby, implying that target binding of the coiled-coil domain is affected by the flanking disordered regions. PMID:27082063

  14. Thermoelectric and structural characterizations of individual electrodeposited bismuth telluride nanowires

    NASA Astrophysics Data System (ADS)

    Mavrokefalos, Anastassios; Moore, Arden L.; Pettes, Michael T.; Shi, Li; Wang, Wei; Li, Xiaoguang

    2009-05-01

    The thermoelectric properties and crystal structure of individual electrodeposited bismuth telluride nanowires (NWs) were characterized using a microfabricated measurement device and transmission electron microscopy. Annealing in hydrogen was used to obtain electrical contact between the NW and the supporting Pt electrodes. By fitting the measured Seebeck coefficient with a two-band model, the NW samples were determined to be highly n-type doped. Higher thermal conductivity and electrical conductivity were observed in a 52 nm diameter monocrystalline NW than a 55 nm diameter polycrystalline NW. The electron mobility of the monocrystalline NW was found to be about 19% lower than that of bulk crystal at a similar carrier concentration and about 2.5 times higher than that of the polycrystalline NW. The specularity parameter for electron scattering by the NW surface was determined to be about 0.7 and partially specular and partially diffuse, leading to a reduction in the electron mean-free path from 61 nm in the bulk to about 40 nm in the 52 nm NW. Because of the already short phonon mean-free path of about 3 nm in bulk bismuth telluride, diffuse phonon-surface scattering is expected to reduce the lattice thermal conductivity of the 52-55 nm diameter NWs by only about 20%, which is smaller than the uncertainty in the extracted lattice thermal conductivity based on the measured total thermal conductivity and calculated electron thermal conductivity. Although the lattice thermal conductivity of the polycrystalline NW is likely lower than the bulk values, the lower thermal conductivity observed in this polycrystalline sample is mainly caused by the lower electron concentration and mobility. For both samples, the thermoelectric figure of merit (ZT) increases with temperature and is about 0.1 at a temperature of 400 K. The low ZT compared to that of bulk crystals is mainly caused by a high doping level, suggesting the need for better control of the chemical composition in

  15. Detailed Geological Modelling in Urban Areas focused on Structures relevant to the Near Surface Groundwater Flow in the context of Climatic Changes

    NASA Astrophysics Data System (ADS)

    Bach, T.; Pallesen, T. M.; Jensen, N. P.; Mielby, S.; Sandersen, P.; Kristensen, M.

    2015-12-01

    This case demonstrates a practical example from the city of Odense (DK) where new geological modeling techniques has been developed and used in the software GeoScene3D, to create a detailed voxel model of the anthropogenic layer. The voxel model has been combined with a regional hydrostratigraphic layer model. The case is part of a pilot project partly financed by VTU (Foundation for Development of Technology in the Danish Water Sector) and involves many different datatypes such as borehole information, geophysical data, human related elements (landfill, pipelines, basements, roadbeds etc). In the last few years, there has been increased focus on detailed geological modeling in urban areas. The models serve as important input to hydrological models. This focus is partly due to climate changes as high intensity rainfalls are seen more often than in the past, and water recharge is a topic too. In urban areas, this arises new challenges. There is a need of a high level of detailed geological knowledge for the uppermost zone of the soil, which typically are problematic due to practically limitations, especially when using geological layer models. Furthermore, to accommodate the need of a high detail, all relevant available data has to be used in the modeling process. Human activity has deeply changed the soil layers, e.g. by constructions as roadbeds, buildings with basements, pipelines, landfill etc. These elements can act as barriers or pathways regarding surface near groundwater flow and can attribute to local flooding or mobilization and transport of contaminants etc. A geological voxel model is built by small boxes (a voxel). Each box can contain several parameters, ex. lithology, transmissivity or contaminant concentration. Human related elements can be implemented using tools, which gives the modeler advanced options for making detailed small-scale models. This case demonstrates the workflow and the resulting geological model for the pilot area.

  16. Growth, structure, and optical characterization of diluted magnetic semiconductor nanowires

    NASA Astrophysics Data System (ADS)

    Cooley, Benjamin Joseph

    ˜ 10 nm, with ˜ 15--20 nm being fairly common. Structural characterization done by transmission electron microscopy (TEM) shows that the long nanowires are largely single crystal, though often with many stacking faults, and tend to form in the wurtzite crystal structure with c-axis growth direction. Elemental analysis performed on individual nanowires using X-ray energy dispersive spectroscopy shows that Mn can be incorporated into Zn1-xMn xSe nanowires in high concentrations, up to x ˜ 0.6. Magneto-photoluminescence (magneto-PL) measurements of as-grown samples reveal substantial Zeeman shifts in the nearband edge luminescence, but only partial polarization, indicating the luminescence is originating in a nanostructured environment. Surprisingly, however, nearly all of the PL signal comes from the nanostructured undergrowth rather than the long nanowires, as shown from magneto-PL measurements of samples which were sonicated to remove the long nanowires. The next set of experiments covers ZnSe and (Zn,Mn)Se nanowires grown using a two-stage process. The substrates are prepared in a similar manner as the in the previous samples. The first stage of growth is carried out at lower than normal substrate temperature, which results in highly tapered nanoneedles with narrow tips (˜ 10 nm). The second stage of growth is performed under normal nanowire growth conditions, yielding narrow nanowires growing from the tips of the nanoneedles. These nanowires have far fewer defects than nanowires grown in a single stage process. Magneto-PL measurements carried out in a micro-PL system show many localized emitters and near band edge emission that shifts in a magnetic field. Sonicated samples gave similar results, indicating that the undergrowth is still responsible for much of the luminescence, even though there is much less undergrowth than in the single stage nanowires. Measurements of dispersed samples suggests that some of the luminescence may be coming from nanowires, but

  17. Characterizing 3D RNA structure by single molecule FRET.

    PubMed

    Stephenson, James D; Kenyon, Julia C; Symmons, Martyn F; Lever, Andrew M L

    2016-07-01

    The importance of elucidating the three dimensional structures of RNA molecules is becoming increasingly clear. However, traditional protein structural techniques such as NMR and X-ray crystallography have several important drawbacks when probing long RNA molecules. Single molecule Förster resonance energy transfer (smFRET) has emerged as a useful alternative as it allows native sequences to be probed in physiological conditions and allows multiple conformations to be probed simultaneously. This review serves to describe the method of generating a three dimensional RNA structure from smFRET data from the biochemical probing of the secondary structure to the computational refinement of the final model. PMID:26853327

  18. Fabrication and Characterization of Woodpile Structures for Direct Laser Acceleration

    SciTech Connect

    McGuinness, C.; Peralta, E.; Soong, K.; Colby, E.; England, R. J.; Ng, J.; Noble, R. J.; Spencer, J.; Walz, D.; Cowan, B.; Byer, R. L.

    2010-11-04

    Eight and nine layer three dimensional photonic crystals with a defect designed specifically for accelerator applications have been fabricated. The structures were fabricated using a combination of nanofabrication techniques, including low pressure chemical vapor deposition, optical lithography, and chemical mechanical polishing. Limits imposed by the optical lithography set the minimum feature size to 400 nm, corresponding to a structure with a bandgap centered at 4.26 {mu}m. Reflection spectroscopy reveal a peak in reflectivity about the predicted region, and good agreement with simulation is shown. The eight and nine layer structures will be aligned and bonded together to form the complete seventeen layer woodpile accelerator structure.

  19. Fabrication and Characterization of Woodpile Structures for Direct Laser Acceleration

    SciTech Connect

    McGuinness, C.; Colby, E.; England, R.J.; Ng, J.; Noble, R.J.; Peralta, E.; Soong, K.; Spencer, J.; Walz, D.; Byer, R.L.

    2010-08-26

    An eight and nine layer three dimensional photonic crystal with a defect designed specifically for accelerator applications has been fabricated. The structures were fabricated using a combination of nanofabrication techniques, including low pressure chemical vapor deposition, optical lithography, and chemical mechanical polishing. Limits imposed by the optical lithography set the minimum feature size to 400 nm, corresponding to a structure with a bandgap centered at 4.26 {micro}m. Reflection spectroscopy reveal a peak in reflectivity about the predicted region, and good agreement with simulation is shown. The eight and nine layer structures will be aligned and bonded together to form the complete seventeen layer woodpile accelerator structure.

  20. AFM characterization of the shape of surface structures with localization factor.

    PubMed

    Bonyár, Attila

    2016-08-01

    Although with the use of scanning probe microscopy (SPM) methods the topographical imaging of surfaces is now widely available, the characterization of surface structures, especially their shape, and the processes which change these features is not trivial with the existing surface describing parameters. In this work the application of a parameter called localization factor is demonstrated for the quantitative characterization of surface structures and for processes which alter the shape of these structures. The theory and optimal operation range of this parameter are discussed with three application examples: microstructure characterization of gold thin films, characterization of the changes in the grain structure of these films during thermal annealing, and finally, characterization of the oxidation processes on a polished tin surface. PMID:27174696

  1. Structural and Biochemical Characterization of the Human Cyclophilin Family of Peptidyl-Prolyl Isomerases

    SciTech Connect

    Davis, Tara L.; Walker, John R.; Campagna-Slater, Valérie; Finerty, Jr., Patrick J.; Paramanathan, Ragika; Bernstein, Galina; MacKenzie, Farrell; Tempel, Wolfram; Ouyang, Hui; Lee, Wen Hwa; Eisenmesser, Elan Z.; Dhe-Paganon, Sirano

    2011-12-14

    Peptidyl-prolyl isomerases catalyze the conversion between cis and trans isomers of proline. The cyclophilin family of peptidyl-prolyl isomerases is well known for being the target of the immunosuppressive drug cyclosporin, used to combat organ transplant rejection. There is great interest in both the substrate specificity of these enzymes and the design of isoform-selective ligands for them. However, the dearth of available data for individual family members inhibits attempts to design drug specificity; additionally, in order to define physiological functions for the cyclophilins, definitive isoform characterization is required. In the current study, enzymatic activity was assayed for 15 of the 17 human cyclophilin isomerase domains, and binding to the cyclosporin scaffold was tested. In order to rationalize the observed isoform diversity, the high-resolution crystallographic structures of seven cyclophilin domains were determined. These models, combined with seven previously solved cyclophilin isoforms, provide the basis for a family-wide structure:function analysis. Detailed structural analysis of the human cyclophilin isomerase explains why cyclophilin activity against short peptides is correlated with an ability to ligate cyclosporin and why certain isoforms are not competent for either activity. In addition, we find that regions of the isomerase domain outside the proline-binding surface impart isoform specificity for both in vivo substrates and drug design. We hypothesize that there is a well-defined molecular surface corresponding to the substrate-binding S2 position that is a site of diversity in the cyclophilin family. Computational simulations of substrate binding in this region support our observations. Our data indicate that unique isoform determinants exist that may be exploited for development of selective ligands and suggest that the currently available small-molecule and peptide-based ligands for this class of enzyme are insufficient for isoform

  2. Role and structural characterization of plant aldehyde dehydrogenases from family 2 and family 7.

    PubMed

    Končitíková, Radka; Vigouroux, Armelle; Kopečná, Martina; Andree, Tomáš; Bartoš, Jan; Šebela, Marek; Moréra, Solange; Kopečný, David

    2015-05-15

    Aldehyde dehydrogenases (ALDHs) are responsible for oxidation of biogenic aldehyde intermediates as well as for cell detoxification of aldehydes generated during lipid peroxidation. So far, 13 ALDH families have been described in plants. In the present study, we provide a detailed biochemical characterization of plant ALDH2 and ALDH7 families by analysing maize and pea ALDH7 (ZmALDH7 and PsALDH7) and four maize cytosolic ALDH(cALDH)2 isoforms RF2C, RF2D, RF2E and RF2F [the first maize ALDH2 was discovered as a fertility restorer (RF2A)]. We report the crystal structures of ZmALDH7, RF2C and RF2F at high resolution. The ZmALDH7 structure shows that the three conserved residues Glu(120), Arg(300) and Thr(302) in the ALDH7 family are located in the substrate-binding site and are specific to this family. Our kinetic analysis demonstrates that α-aminoadipic semialdehyde, a lysine catabolism intermediate, is the preferred substrate for plant ALDH7. In contrast, aromatic aldehydes including benzaldehyde, anisaldehyde, cinnamaldehyde, coniferaldehyde and sinapaldehyde are the best substrates for cALDH2. In line with these results, the crystal structures of RF2C and RF2F reveal that their substrate-binding sites are similar and are formed by an aromatic cluster mainly composed of phenylalanine residues and several nonpolar residues. Gene expression studies indicate that the RF2C gene, which is strongly expressed in all organs, appears essential, suggesting that the crucial role of the enzyme would certainly be linked to the cell wall formation using aldehydes from phenylpropanoid pathway as substrates. Finally, plant ALDH7 may significantly contribute to osmoprotection because it oxidizes several aminoaldehydes leading to products known as osmolytes. PMID:25734422

  3. Structural characterization of magnesium silicate hydrate: towards the design of eco-sustainable cements.

    PubMed

    Tonelli, M; Martini, F; Calucci, L; Fratini, E; Geppi, M; Ridi, F; Borsacchi, S; Baglioni, P

    2016-02-28

    Magnesium-based cement is one of the most interesting eco-sustainable alternatives to standard cementitious binders. The reasons for the interest towards this material are twofold: (i) its production process, using magnesium silicates, brine or seawater, dramatically reduces CO2 emissions with respect to Portland cement production, and (ii) it is very well suited to applications in radioactive waste encapsulation. In spite of its potential, assessment of the structural properties of its binder phase (magnesium silicate hydrate or M-S-H) is far from complete, especially because of its amorphous character. In this work, a comprehensive structural characterization of M-S-H was obtained using a multi-technique approach, including a detailed solid-state NMR investigation and, in particular, for the first time, quantitative (29)Si solid-state NMR data. M-S-H was prepared through room-temperature hydration of highly reactive MgO and silica fume and was monitored for 28 days. The results clearly evidenced the presence in M-S-H of "chrysotile-like" and "talc-like" sub-nanometric domains, which are approximately in a 1 : 1 molar ratio after long-time hydration. Both these kinds of domains have a high degree of condensation, corresponding to the presence of a small amount of silanols in the tetrahedral sheets. The decisive improvement obtained in the knowledge of M-S-H structure paves the way for tailoring the macroscopic properties of eco-sustainable cements by means of a bottom-up approach. PMID:26781557

  4. Proton NMR characterization of isomeric sulfmyoglobins: preparation, interconversion, reactivity patterns, and structural features

    SciTech Connect

    Chatfield, M.J.; La Mar, G.N.; Kauten, R.J.

    1987-11-03

    The preparations of sulfmyoglobin (sulf-Mb) by standard procedures have been found heterogeneous by /sup 1/H NMR spectroscopy. Presented here are the results of a comprehensive study of the factors that influence the selection among the three dominant isomeric forms of sperm whale sulf-Mb and their resulting detailed optical and /sup 1/H NMR properties as related to their detectability and structural properties of the heme pocket. A single isomer is formed initially in the deoxy state; further treatment in any desired oxidation/ligation state can yield two other major isomers. Acid catalysis and chromatography facilitate formation of a second isomer, particularly in the high-spin state. At neutral pH, a third isomer is formed by a first-order process. The processes that alter oxidation/ligation state are found to be reversible and are judged to affect only the metal center, but the three isomeric sulf-Mbs are found to exhibit significantly different ligand affinity and chemical stability. The present results allow, for the first time, a rational approach for preparing a given isomeric sulf-Mb in an optimally pure state for subsequent characterization by other techniques. While optical spectroscopy can distinguish the alkaline forms, only /sup 1/H NMR clearly distinguishes all three ferric isomers. The hyperfine shift patterns in the various oxidation/spin states of sulf-Mbs indicate relatively small structural alteration, and the proximal and distal sides of the heme suggest that peripheral electronic effects are responsible for the differentially reduced ligand affinities for the three isomeric sulf-Mbs. The first /sup 1/H NMR spectra of sulfhemoglobins are presented, which indicate a structure similar to that of the initially formed sulf-Mb isomer but also suggest the presence of a similar molecular heterogeneity as found for sulf-Mb, albiet to a smaller extent.

  5. Structure characterization of protein fractions from lotus ( Nelumbo nucifera) seed

    NASA Astrophysics Data System (ADS)

    Zeng, Hong-Yan; Cai, Lian-Hui; Cai, Xi-Ling; Wang, Ya-Ju; Li, Yu-Qin

    2011-08-01

    Protein fractionation of lotus seed was carried out and the structures of the protein fractions were studied. Fourier transform infrared spectroscopy (FTIR) as well as ultraviolet visible spectroscopy (UV-vis) was used to investigate changes in molecular structures of the protein fractions. FTIR and UV-vis spectra showed the protein fractions had different protein molecular structures. FTIR spectra showed β-sheets and β-turns as the major secondary structures in the individual protein fractions, while the amounts of α-helix and random coil structures among the different fractions did not significantly change. The amounts of β-sheet structures of albumin and globulin were significantly higher than ones of prolamin and glutelin, implying albumin and globulin had high stabilities because of the high content in β-sheet structures. The observed similarity in the amounts of α-helix, random coil, β-sheet and β-turn structures shared by albumin and globulin indicated that their interior conformations were similar.

  6. Characterization of photodeposited selenium planar structures by scanning force microscopy

    NASA Astrophysics Data System (ADS)

    Peled, A.; Baranauskas, V.; Rodrigues, C.; Art-Weisman, D.; Grantman, L.; Friesem, A. A.

    1995-06-01

    This article describes the results of a surface morphology study of photodeposited thin film devices of Selenium by scanning force microscopy (SFM). First, the structures of the photodeposited films were investigated at device level dimensions of the order of visible wavelength. Specifically, ultrathin sinusoidal holographic gratings with spatial periods in the range 480-514 nm were visually identified from SFM nanograph images. Second, grain level structural investigation was performed using image processing techniques such as filtering and one- and two-dimensional Fourier transforms analysis. The variation of the surface grain structure was sampled across the Gaussian profiles of the laser photodeposited patterns. It was found that the random amorphous clustering at the perimeter of the deposited structures becomes progressively grainy towards the center, creating protrusions above the surface with trigonal Selenium (t-Se) crystalline features. Third, performing image enhancement analysis at high magnification—the nanometer level structure was investigated for amorphous Selenium (a-Se) and the laser thermally induced structural transformations of the a-Se films. It was found that the atomic solid-state structure of a-Se films, previously deduced only by indirect methods, consists mainly of a random mixture of Sex branched chains containing also a small concentration of imperfect ring structures characteristic of the α- and β-monoclinic phases. The triclinic crystalline phase (t-Se) was identified in the center of the laser overheated regions of the film Gaussian profile. The results enable us to conclude about the debate in the literature regarding the crystalline and amorphous structure of Selenium thin films.

  7. Tensile Characterization of Single-Walled Carbon Nanotubes with Helical Structural Defects

    PubMed Central

    Jhon, Young I.; Kim, Chulki; Seo, Minah; Cho, Woon Jo; Lee, Seok; Jhon, Young Min

    2016-01-01

    Recently, evidence was presented that certain single-walled carbon nanotubes (SWNTs) possess helical defective traces, exhibiting distinct cleaved lines, yet their mechanical characterization remains a challenge. On the basis of the spiral growth model of SWNTs, here we present atomic details of helical defects and investigate how the tensile behaviors of SWNTs change with their presence using molecular dynamics simulations. SWNTs have exhibited substantially lower tensile strength and strain than theoretical results obtained from a seamless tubular structure, whose physical origin cannot be explained either by any known SWNT defects so far. We find that this long-lasting puzzle could be explained by assuming helical defects in SWNTs, exhibiting excellent agreement with experimental observation. The mechanism of this tensile process is elucidated by analyzing atomic stress distribution and evolution, and the effects of the chirality and diameter of SWNTs on this phenomenon are examined based on linear elastic fracture mechanics. This work contributes significantly to our understanding of the growth mechanism, defect hierarchies, and mechanical properties of SWNTs. PMID:26841708

  8. Sizing Single Cantilever Beam Specimens for Characterizing Facesheet/Core Peel Debonding in Sandwich Structure

    NASA Technical Reports Server (NTRS)

    Ratcliffe, James G.

    2010-01-01

    This technical publication details part of an effort focused on the development of a standardized facesheet/core peel debonding test procedure. The purpose of the test is to characterize facesheet/core peel in sandwich structure, accomplished through the measurement of the critical strain energy release rate associated with the debonding process. Following an examination of previously developed tests and a recent evaluation of a selection of these methods, a single cantilever beam (SCB) specimen was identified as being a promising candidate for establishing such a standardized test procedure. The objective of the work described here was to begin development of a protocol for conducting a SCB test that will render the procedure suitable for standardization. To this end, a sizing methodology was developed to ensure appropriate SCB specimen dimensions are selected for a given sandwich system. Application of this method to actual sandwich systems yielded SCB specimen dimensions that would be practical for use. This study resulted in the development of a practical SCB specimen sizing method, which should be well-suited for incorporation into a standardized testing protocol.

  9. Structural and Functional Characterization of the Proteins Responsible for N(6)-Methyladenosine Modification and Recognition.

    PubMed

    Liu, Ke; Ding, Yumin; Ye, Weiyuan; Liu, Yanli; Yang, Jihong; Liu, Jinlin; Qi, Chao

    2016-01-01

    RNA modification, involving in a wide variety of cellular processes, has been identified over 100 types since 1950s. N(6)-methyladenosine (m6A), as one of the most abundant RNA modifications, is found in several RNA species and predominantly located in the stop codons, long internal exons as well as 3'UTR. It was reported that m6A modification preferentially appears after G in the conserved motif RRm6ACH (R = A/G and H = A/C/U). There are two families of enzymes responsible for maintaining the balance of m6A modification: m6A methyltransferases and demethylases, which add and remove methyl marks for adenosine of RNA, respectively. METTL3 complex, the m6A methyltransferases, and two kinds of demethylases including Fat mass and obesity-associated protein (FTO) and alkylation protein AlkB homolog 5 (ALKBH5) are characterized thus far. Besides the "writers" and "erasers", m6A specific recognizing proteins, such as the YTH (YT521-B homology) domain family proteins, also have attracted significant attention. Herein, we focus on the recent progress in understanding the biological/biochemical functions and structures of proteins responsible for the m6A modification and recognition. Detailed analyses of these important proteins are essential for the further study of their biological function and will also guide us in designing more potent and specific small-molecule chemical inhibitors for these targets. PMID:26323656

  10. Structure-from-Motion Approach for Characterization of Bioerosion Patterns Using UAV Imagery

    PubMed Central

    Genchi, Sibila A.; Vitale, Alejandro J.; Perillo, Gerardo M. E.; Delrieux, Claudio A.

    2015-01-01

    The aim of this work is to evaluate the applicability of the 3D model obtained through Structure-from-Motion (SFM) from unmanned aerial vehicle (UAV) imagery, in order to characterize bioerosion patterns (i.e., cavities for roosting and nesting) caused by burrowing parrots on a cliff in Bahía Blanca, Argentina. The combined use of SFM-UAV technology was successfully applied for the 3D point cloud model reconstruction. The local point density, obtained by means of a sphere of radius equal to 0.5 m, reached a mean value of 9749, allowing to build a high-resolution model (0.013 m) for resolving fine spatial details in topography. To test the model, we compared it with another point cloud dataset which was created using a low cost do-it-yourself terrestrial laser scanner; the results showed that our georeferenced model had a good accuracy. In addition, an innovative method for the detection of the bioerosion features was implemented, through the processing of data provided by SFM like color and spatial coordinates (particularly the y coordinate). From the 3D model, we also derived topographic calculations such as slope angle and surface roughness, to get associations between the surface topography and bioerosion features. PMID:25658392

  11. Tensile Characterization of Single-Walled Carbon Nanotubes with Helical Structural Defects

    NASA Astrophysics Data System (ADS)

    Jhon, Young I.; Kim, Chulki; Seo, Minah; Cho, Woon Jo; Lee, Seok; Jhon, Young Min

    2016-02-01

    Recently, evidence was presented that certain single-walled carbon nanotubes (SWNTs) possess helical defective traces, exhibiting distinct cleaved lines, yet their mechanical characterization remains a challenge. On the basis of the spiral growth model of SWNTs, here we present atomic details of helical defects and investigate how the tensile behaviors of SWNTs change with their presence using molecular dynamics simulations. SWNTs have exhibited substantially lower tensile strength and strain than theoretical results obtained from a seamless tubular structure, whose physical origin cannot be explained either by any known SWNT defects so far. We find that this long-lasting puzzle could be explained by assuming helical defects in SWNTs, exhibiting excellent agreement with experimental observation. The mechanism of this tensile process is elucidated by analyzing atomic stress distribution and evolution, and the effects of the chirality and diameter of SWNTs on this phenomenon are examined based on linear elastic fracture mechanics. This work contributes significantly to our understanding of the growth mechanism, defect hierarchies, and mechanical properties of SWNTs.

  12. Structure-from-motion approach for characterization of bioerosion patterns using UAV imagery.

    PubMed

    Genchi, Sibila A; Vitale, Alejandro J; Perillo, Gerardo M E; Delrieux, Claudio A

    2015-01-01

    The aim of this work is to evaluate the applicability of the 3D model obtained through Structure-from-Motion (SFM) from unmanned aerial vehicle (UAV) imagery, in order to characterize bioerosion patterns (i.e., cavities for roosting and nesting) caused by burrowing parrots on a cliff in Bahía Blanca, Argentina. The combined use of SFM-UAV technology was successfully applied for the 3D point cloud model reconstruction. The local point density, obtained by means of a sphere of radius equal to 0.5 m, reached a mean value of 9749, allowing to build a high-resolution model (0.013 m) for resolving fine spatial details in topography. To test the model, we compared it with another point cloud dataset which was created using a low cost do-it-yourself terrestrial laser scanner; the results showed that our georeferenced model had a good accuracy. In addition, an innovative method for the detection of the bioerosion features was implemented, through the processing of data provided by SFM like color and spatial coordinates (particularly the y coordinate). From the 3D model, we also derived topographic calculations such as slope angle and surface roughness, to get associations between the surface topography and bioerosion features. PMID:25658392

  13. Comprehensive characterization of programmed death ligand structural rearrangements in B-cell non-Hodgkin lymphomas.

    PubMed

    Chong, Lauren C; Twa, David D W; Mottok, Anja; Ben-Neriah, Susana; Woolcock, Bruce W; Zhao, Yongjun; Savage, Kerry J; Marra, Marco A; Scott, David W; Gascoyne, Randy D; Morin, Ryan D; Mungall, Andrew J; Steidl, Christian

    2016-09-01

    Programmed death ligands (PDLs) are immune-regulatory molecules that are frequently affected by chromosomal alterations in B-cell lymphomas. Although PDL copy-number variations are well characterized, a detailed and comprehensive analysis of structural rearrangements (SRs) and associated phenotypic consequences is largely lacking. Here, we used oligonucleotide capture sequencing of 67 formalin-fixed paraffin-embedded tissues derived from primary B-cell lymphomas and 1 cell line to detect and characterize, at base-pair resolution, SRs of the PDL locus (9p24.1; harboring PDL1/CD274 and PDL2/PDCD1LG2). We describe 36 novel PDL SRs, including 17 intrachromosomal events (inversions, duplications, deletions) and 19 translocations involving BZRAP-AS1, CD44, GET4, IL4R, KIAA0226L, MID1, RCC1, PTPN1 and segments of the immunoglobulin loci. Moreover, analysis of the precise chromosomal breakpoints reveals 2 distinct cluster breakpoint regions (CBRs) within either CD274 (CBR1) or PDCD1LG2 (CBR2). To determine the phenotypic consequences of these SRs, we performed immunohistochemistry for CD274 and PDCD1LG2 on primary pretreatment biopsies and found that PDL SRs are significantly associated with PDL protein expression. Finally, stable ectopic expression of wild-type PDCD1LG2 and the PDCD1LG2-IGHV7-81 fusion showed, in coculture, significantly reduced T-cell activation. Taken together, our data demonstrate the complementary utility of fluorescence in situ hybridization and capture sequencing approaches and provide a classification scheme for PDL SRs with implications for future studies using PDL immune-checkpoint inhibitors in B-cell lymphomas. PMID:27268263

  14. Structural characterization of mRNA-tRNA translocation intermediates

    PubMed Central

    Agirrezabala, Xabier; Liao, Hstau Y.; Schreiner, Eduard; Fu, Jie; Ortiz-Meoz, Rodrigo F.; Schulten, Klaus; Green, Rachel; Frank, Joachim

    2012-01-01

    Cryo-EM analysis of a wild-type Escherichia coli pretranslocational sample has revealed the presence of previously unseen intermediate substates of the bacterial ribosome during the first phase of translocation, characterized by intermediate intersubunit rotations, L1 stalk positions, and tRNA configurations. Furthermore, we describe the domain rearrangements in quantitative terms, which has allowed us to characterize the processivity and coordination of the conformational reorganization of the ribosome, along with the associated changes in tRNA ribosome-binding configuration. The results are consistent with the view of the ribosome as a molecular machine employing Brownian motion to reach a functionally productive state via a series of substates with incremental changes in conformation. PMID:22467828

  15. Structural characterization of mRNA-tRNA translocation intermediates.

    PubMed

    Agirrezabala, Xabier; Liao, Hstau Y; Schreiner, Eduard; Fu, Jie; Ortiz-Meoz, Rodrigo F; Schulten, Klaus; Green, Rachel; Frank, Joachim

    2012-04-17

    Cryo-EM analysis of a wild-type Escherichia coli pretranslocational sample has revealed the presence of previously unseen intermediate substates of the bacterial ribosome during the first phase of translocation, characterized by intermediate intersubunit rotations, L1 stalk positions, and tRNA configurations. Furthermore, we describe the domain rearrangements in quantitative terms, which has allowed us to characterize the processivity and coordination of the conformational reorganization of the ribosome, along with the associated changes in tRNA ribosome-binding configuration. The results are consistent with the view of the ribosome as a molecular machine employing Brownian motion to reach a functionally productive state via a series of substates with incremental changes in conformation. PMID:22467828

  16. Structural characterization of ice polymorphs from self-avoiding walks

    NASA Astrophysics Data System (ADS)

    Herrero, Carlos P.

    2014-08-01

    Topological properties of crystalline ice structures are studied by means of self-avoiding walks on their H-bond networks. The number of self-avoiding walks, Cn, for eight ice polymorphs has been obtained by direct enumeration up to walk length n=27. This has allowed us to determine the ‘connective constant' or effective coordination number μ of these structures as the limit of the ratio Cn/Cn-1 for large n. This structure-dependent parameter μ is related with other topological characteristics of ice polymorphs, such as the mean and minimum ring size, or the topological density of network sites. A correlation between the connective constant and the configurational entropy of hydrogen-disordered ice structures is discussed.

  17. Synthesis and structural characterization of polyaniline/cobalt chloride composites

    NASA Astrophysics Data System (ADS)

    Asha, Goyal, Sneh Lata; Kishore, Nawal

    2016-05-01

    Polyaniline (PANI) and PANI /cobalt chloride composites were synthesized by in situ chemical oxidative polymerization of aniline with CoCl2.6H2O using ammonium peroxidisulphate as an oxidant. These composites were characterized by X-ray diffraction (XRD) and Scanning electron microscopy (SEM). The XRD study reveals that both PANI and composites are amorphous. The XRD and SEM results confirm the presence of cobalt chloride in the composites.

  18. Characterization of flow-induced structures in carbon nanotube suspensions

    NASA Astrophysics Data System (ADS)

    Khalkhal, Fatemeh

    Carbon nanotubes (CNTs) are fibre-like nano-particles with many different applications. Due to their high specific surface area, high electric current density, thermal stability and excellent mechanical properties, they are used to reinforce physical properties of polymer matrices. The macroscopic properties of suspensions are inherited from their properties at micron and sub-micron scales. The suspensions structure can be easily influenced by many parameters such as the extent of external shear forces, the suspension concentration, temperature, the particles specifications, etc. This makes the study of the suspension structure a very challenging task and has been the subject of interest to many researchers. In this thesis, the structure of a model carbon nanotube suspension dispersed in an epoxy is studied by employing a set of rheological methods, scaling and fractal theories and a structural thixotropic model. The effect of flow history on linear viscoelastic properties of suspensions and the evolution of structure upon cessation of shear flow has been studied over a wide range of pre-shearing rates, concentration and temperature. The results of these analyses are as follows. The effect of flow history is more pronounced on the suspensions structure in dilute and semi-dilute concentration regimes. By pre-shearing at low rates, more inter-particle entanglements were induced, which resulted in reduction of rheological percolation thresholds. After cessation of shear flow, for dilute and semi-dilute suspensions, the formed metastable structures were distinguishable by different storage moduli, which were inversely related to the rate of pre-shearing. However, for the concentrated suspensions, the formed metastable structures had an approximately equal storage modulus regardless of the rate of the applied pre-shearing. It was shown that the rate of formation of these metastable structures was enhanced by increasing concentration. Furthermore, the rate of structure

  19. Structural characterization of human cholesterol 7α-hydroxylase

    PubMed Central

    Tempel, Wolfram; Grabovec, Irina; MacKenzie, Farrell; Dichenko, Yaroslav V.; Usanov, Sergey A.; Gilep, Andrei A.; Park, Hee-Won; Strushkevich, Natallia

    2014-01-01

    Hepatic conversion to bile acids is a major elimination route for cholesterol in mammals. CYP7A1 catalyzes the first and rate-limiting step in classic bile acid biosynthesis, converting cholesterol to 7α-hydroxycholesterol. To identify the structural determinants that govern the stereospecific hydroxylation of cholesterol, we solved the crystal structure of CYP7A1 in the ligand-free state. The structure-based mutation T104L in the B′ helix, corresponding to the nonpolar residue of CYP7B1, was used to obtain crystals of complexes with cholest-4-en-3-one and with cholesterol oxidation product 7-ketocholesterol (7KCh). The structures reveal a motif of residues that promote cholest-4-en-3-one binding parallel to the heme, thus positioning the C7 atom for hydroxylation. Additional regions of the binding cavity (most distant from the access channel) are involved to accommodate the elongated conformation of the aliphatic side chain. Structural complex with 7KCh shows an active site rigidity and provides an explanation for its inhibitory effect. Based on our previously published data, we proposed a model of cholesterol abstraction from the membrane by CYP7A1 for metabolism. CYP7A1 structural data provide a molecular basis for understanding of the diversity of 7α-hydroxylases, on the one hand, and cholesterol-metabolizing enzymes adapted for their specific activity, on the other hand. PMID:24927729

  20. Characterization of the structures of poly(urea-urethane) microcapsules.

    PubMed

    Matsunami, Yuki; Ichikawa, Kimio

    2002-08-21

    A series of poly(urea-urethane) microcapsules containing phthalate derivatives as a core material were prepared by an interfacial polymerization process in order to investigate the structural formation mechanism. Scanning electron microscopy (SEM) analysis for the cross sections of microcapsules revealed the systematic formations of porous structures followed by the formation of core/shell structures. Critical values of the core oil content for the formation of porous and core/shell structures were obtained from SEM results and the critical values were found to be proportional to the solubility parameters of core materials. Dynamic mechanical measurements indicated an amorphous structure of wall membrane and the glass transition temperature was found to decrease with increasing the core oil content suggesting a plasticizing effect. The surface amount of the core oils absorbed in the wall membrane was estimated using time of flight secondary ion spectroscopy analysis and found to increase with increasing the oil content before reaching constant. This tendency was interpreted in terms of the structural formation of the microcapsules. The results obtained in the present investigation were reasonably understood on the basis of swelling theory of wall membrane and the Flory-Huggins interaction parameters of the systems were discussed. PMID:12176237

  1. Structural characterization of human cholesterol 7α-hydroxylase.

    PubMed

    Tempel, Wolfram; Grabovec, Irina; MacKenzie, Farrell; Dichenko, Yaroslav V; Usanov, Sergey A; Gilep, Andrei A; Park, Hee-Won; Strushkevich, Natallia

    2014-09-01

    Hepatic conversion to bile acids is a major elimination route for cholesterol in mammals. CYP7A1 catalyzes the first and rate-limiting step in classic bile acid biosynthesis, converting cholesterol to 7α-hydroxycholesterol. To identify the structural determinants that govern the stereospecific hydroxylation of cholesterol, we solved the crystal structure of CYP7A1 in the ligand-free state. The structure-based mutation T104L in the B' helix, corresponding to the nonpolar residue of CYP7B1, was used to obtain crystals of complexes with cholest-4-en-3-one and with cholesterol oxidation product 7-ketocholesterol (7KCh). The structures reveal a motif of residues that promote cholest-4-en-3-one binding parallel to the heme, thus positioning the C7 atom for hydroxylation. Additional regions of the binding cavity (most distant from the access channel) are involved to accommodate the elongated conformation of the aliphatic side chain. Structural complex with 7KCh shows an active site rigidity and provides an explanation for its inhibitory effect. Based on our previously published data, we proposed a model of cholesterol abstraction from the membrane by CYP7A1 for metabolism. CYP7A1 structural data provide a molecular basis for understanding of the diversity of 7α-hydroxylases, on the one hand, and cholesterol-metabolizing enzymes adapted for their specific activity, on the other hand. PMID:24927729

  2. Crystal Structures of GII.10 and GII.12 Norovirus Protruding Domains in Complex with Histo-Blood Group Antigens Reveal Details for a Potential Site of Vulnerability

    SciTech Connect

    Hansman, Grant S.; Biertümpfel, Christian; Georgiev, Ivelin; McLellan, Jason S.; Chen, Lei; Zhou, Tongqing; Katayama, Kazuhiko; Kwong, Peter D.

    2011-10-10

    Noroviruses are the dominant cause of outbreaks of gastroenteritis worldwide, and interactions with human histo-blood group antigens (HBGAs) are thought to play a critical role in their entry mechanism. Structures of noroviruses from genogroups GI and GII in complex with HBGAs, however, reveal different modes of interaction. To gain insight into norovirus recognition of HBGAs, we determined crystal structures of norovirus protruding domains from two rarely detected GII genotypes, GII.10 and GII.12, alone and in complex with a panel of HBGAs, and analyzed structure-function implications related to conservation of the HBGA binding pocket. The GII.10- and GII.12-apo structures as well as the previously solved GII.4-apo structure resembled each other more closely than the GI.1-derived structure, and all three GII structures showed similar modes of HBGA recognition. The primary GII norovirus-HBGA interaction involved six hydrogen bonds between a terminal {alpha}fucose1-2 of the HBGAs and a dimeric capsid interface, which was composed of elements from two protruding subdomains. Norovirus interactions with other saccharide units of the HBGAs were variable and involved fewer hydrogen bonds. Sequence analysis revealed a site of GII norovirus sequence conservation to reside under the critical {alpha}fucose1-2 and to be one of the few patches of conserved residues on the outer virion-capsid surface. The site was smaller than that involved in full HBGA recognition, a consequence of variable recognition of peripheral saccharides. Despite this evasion tactic, the HBGA site of viral vulnerability may provide a viable target for small molecule- and antibody-mediated neutralization of GII norovirus.

  3. Structural and Kinetic Characterization of Escherichia coli TadA, the Wobble-Specific tRNA Deaminase

    SciTech Connect

    Kim,J.; Malashkevich, V.; Roday, S.; Lisbin, M.; Schramm, V.; Almo, S.

    2006-01-01

    The essential tRNA-specific adenosine deaminase catalyzes the deamination of adenosine to inosine at the wobble position of tRNAs. This modification allows for a single tRNA species to recognize multiple synonymous codons containing A, C, or U in the last (3'-most) position and ensures that all sense codons are appropriately decoded. We report the first combined structural and kinetic characterization of a wobble-specific deaminase. The structure of the Escherichia coli enzyme clearly defines the dimer interface and the coordination of the catalytically essential zinc ion. The structure also identifies the nucleophilic water and highlights residues near the catalytic zinc likely to be involved in recognition and catalysis of polymeric RNA substrates. A minimal 19 nucleotide RNA stem substrate has permitted the first steady-state kinetic characterization of this enzyme (k{sub cat} = 13 {+-} 1 min{sup -1} and K{sub M} = 0.83 {+-} 0.22 {micro}M). A continuous coupled assay was developed to follow the reaction at high concentrations of polynucleotide substrates (>10 {micro}M). This work begins to define the chemical and structural determinants responsible for catalysis and substrate recognition and lays the foundation for detailed mechanistic analysis of this essential enzyme.

  4. Synthesis and characterization of a new structure of gas hydrate

    SciTech Connect

    Tulk, Christopher A; Chakoumakos, Bryan C; Ehm, Lars; Klug, Dennis D; Parise, John B; Yang, Ling; Martin, Dave; Ripmeester, John; Moudrakovski, Igor; Ratcliffe, Chris

    2009-01-01

    Atoms and molecules 0.4 0.9 nm in diameter can be incorporated in the cages formed by hydrogen-bonded water molecules making up the crystalline solid clathrate hydrates. There are three structural families of these hydrates , known as sI, sII and sH, and the structure usually depends on the largest guest molecule in the hydrate. Species such as Ar, Kr, Xe and methane form sI or sII hydrate, sH is unique in that it requires both small and large cage guests for stability. All three structures, containing methane, other hydrocarbons, H2S and CO2, O2 and N2 have been found in the geosphere, with sI methane hydrate by far the most abundant. At high pressures (P > 0.7 kbar) small guests (Ar, Kr, Xe, methane) are also known to form sH hydrate with multiple occupancy of the largest cage in the hydrate. The high-pressure methane hydrate of sH has been proposed as playing a role in the outer solar system, including formation models for Titan , and yet another high pressure phase of methane has been reported , although its structure remains unknown. In this study, we report a new and unique hydrate structure that is derived from the high pressure sH hydrate of xenon. After quench recovery at ambient pressure and 77 K it shows considerable stability at low temperatures (T < 160 K) and is compositionally similar to the sI Xe clathrate starting material. This evidence of structural complexity in compositionally similar clathrate compounds indicates that thermodynamic pressure temperature conditions may not be the only important factor in structure determination, but also the reaction path may have an important effect.

  5. Detailed structure of the low-energy magnetic dispersion of the diagonal incommensurate phase in La1.975Sr0.025CuO4

    SciTech Connect

    Matsuda, Masaaki; Fernandez-Baca, Jaime A; Fujita, M.; Yamada, K.; Tranquada, John M.

    2011-01-01

    Inelastic neutron scattering experiments have been performed on lightly doped La{sub 1.975}Sr{sub 0.025}CuO{sub 4}, which contains a hole concentration slightly higher than the critical concentration for three-dimensional long-range antiferromagnetic order. We previously found that the magnetic excitation spectrum in the insulating phase with a diagonal incommensurate spin modulation has similarities to that in the superconducting regime, where the spin modulation is bond parallel. In this study, we investigate the excitations in detail around E{sub cross}, at which the excitations become most nearly commensurate. It is found that both the magnitude and the anisotropy of the momentum width of the excitations change abruptly at E{sub cross}. Our experimental results suggest that the magnetic excitations rising from the pair of (diagonally) incommensurate wave vectors merge at E{sub cross} into isotropic excitations.

  6. Characterization of crystalline structures in Opuntia ficus-indica.

    PubMed

    Contreras-Padilla, Margarita; Rivera-Muñoz, Eric M; Gutiérrez-Cortez, Elsa; del López, Alicia Real; Rodríguez-García, Mario Enrique

    2015-01-01

    This research studies the crystalline compounds present in nopal (Opuntia ficus-indica) cladodes. The identification of the crystalline structures was performed using X-ray diffraction, scanning electron microscopy, mass spectrometry, and Fourier transform infrared spectroscopy. The crystalline structures identified were calcium carbonate (calcite) [CaCO3], calcium-magnesium bicarbonate [CaMg(CO3)2], magnesium oxide [MgO], calcium oxalate monohydrate [Ca(C2O4)•(H2O)], potassium peroxydiphosphate [K4P2O8] and potassium chloride [KCl]. The SEM images indicate that calcite crystals grow to dipyramidal, octahedral-like, prismatic, and flower-like structures; meanwhile, calcium-magnesium bicarbonate structures show rhombohedral exfoliation and calcium oxalate monohydrate is present in a drusenoid morphology. These calcium carbonate compounds have a great importance for humans because their bioavailability. This is the first report about the identification and structural analysis of calcium carbonate and calcium-magnesium bicarbonate in nopal cladodes, as well as the presence of magnesium oxide, potassium peroxydiphosphate and potassium chloride in these plants. The significance of the study of the inorganic components of these cactus plants is related with the increasing interest in the potential use of Opuntia as a raw material of products for the food, pharmaceutical, and cosmetic industries. PMID:25465849

  7. The Structural Characterization of Tumor Fusion Genes and Proteins.

    PubMed

    Wang, Dandan; Li, Daixi; Qin, Guangrong; Zhang, Wen; Ouyang, Jian; Zhang, Menghuan; Xie, Lu

    2015-01-01

    Chromosomal translocation, which generates fusion proteins in blood tumor or solid tumor, is considered as one of the major causes leading to cancer. Recent studies suggested that the disordered fragments in a fusion protein might contribute to its carcinogenicity. Here, we investigated the sequence feature near the breakpoints in the fusion partner genes, the structure features of breakpoints in fusion proteins, and the posttranslational modification preference in the fusion proteins. Results show that the breakpoints in the fusion partner genes have both sequence preference and structural preference. At the sequence level, nucleotide combination AG is preferred before the breakpoint and GG is preferred at the breakpoint. At the structural level, the breakpoints in the fusion proteins prefer to be located in the disordered regions. Further analysis suggests the phosphorylation sites at serine, threonine, and the methylation sites at arginine are enriched in disordered regions of the fusion proteins. Using EML4-ALK as an example, we further explained how the fusion protein leads to the protein disorder and contributes to its carcinogenicity. The sequence and structural features of the fusion proteins may help the scientific community to predict novel breakpoints in fusion genes and better understand the structure and function of fusion proteins. PMID:26347798

  8. The Structural Characterization of Tumor Fusion Genes and Proteins

    PubMed Central

    Wang, Dandan; Li, Daixi; Qin, Guangrong; Zhang, Wen; Ouyang, Jian; Zhang, Menghuan; Xie, Lu

    2015-01-01

    Chromosomal translocation, which generates fusion proteins in blood tumor or solid tumor, is considered as one of the major causes leading to cancer. Recent studies suggested that the disordered fragments in a fusion protein might contribute to its carcinogenicity. Here, we investigated the sequence feature near the breakpoints in the fusion partner genes, the structure features of breakpoints in fusion proteins, and the posttranslational modification preference in the fusion proteins. Results show that the breakpoints in the fusion partner genes have both sequence preference and structural preference. At the sequence level, nucleotide combination AG is preferred before the breakpoint and GG is preferred at the breakpoint. At the structural level, the breakpoints in the fusion proteins prefer to be located in the disordered regions. Further analysis suggests the phosphorylation sites at serine, threonine, and the methylation sites at arginine are enriched in disordered regions of the fusion proteins. Using EML4-ALK as an example, we further explained how the fusion protein leads to the protein disorder and contributes to its carcinogenicity. The sequence and structural features of the fusion proteins may help the scientific community to predict novel breakpoints in fusion genes and better understand the structure and function of fusion proteins. PMID:26347798

  9. Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site

    SciTech Connect

    Wielens, Jerome; Headey, Stephen J.; Jeevarajah, Dharshini; Rhodes, David I.; Deadman, John; Chalmers, David K.; Scanlon, Martin J.; Parker, Michael W.

    2010-04-19

    HIV integrase (IN) is an essential enzyme in HIV replication and an important target for drug design. IN has been shown to interact with a number of cellular and viral proteins during the integration process. Disruption of these important interactions could provide a mechanism for allosteric inhibition of IN. We present the highest resolution crystal structure of the IN core domain to date. We also present a crystal structure of the IN core domain in complex with sucrose which is bound at the dimer interface in a region that has previously been reported to bind integrase inhibitors.

  10. Processing-structure characterization of rheocast IN-100 superalloy

    NASA Technical Reports Server (NTRS)

    Cheng, Jung-Jen Allen; Apelian, Diran; Doherty, Roger D.

    1986-01-01

    The rheocasting solidification process was applied in the production of IN-100 nickel base superalloy, and the effects of processing variables, such as stirring speed, isothermal stirring time, and volume fraction solid during isothermal stirring, on the resultant rheocast structure were investigated. Ingots that were furnace cooled at the same rate but without stirring were compared with the rheocast ingots. Rheocasting yielded fine-grained structures, where the extent of microsegregation, the variation in macrostructure, and the solidification-induced porosity and ingot cracking were found to be reduced in comparison to the unstirred ingots. The grain size and nonuniformity were reduced by increasing the stirring speed, isothermal stirring time, or the volume fraction solid during stirring; decreased microsegregation was achieved by an increase in the volume fraction solid. The structures of grain boundaries lent support to the grain boundary mechanism proposed by Vogel et al. (1977) for rheocasting.

  11. Raman scattering characterization of space solar cell structures

    NASA Technical Reports Server (NTRS)

    Mintairov, Alexander M.; Khvostikov, V. P.; Paleeva, E. V.; Sorokina, S. V.

    1995-01-01

    A contactless method for the determination of the free-carrier density and the composition distribution across the thickness of 3-5 multi-layer solar cell structures, using the Raman scattering method, is developed. The method includes a step analysis of Raman spectra from optical phonons and phonon-plasmon modes of different layers. The method provides simultaneous measurements of the element composition and the thickness of the structure's layers together with the free-carrier density. The results of measurements of the free-carrier density composition distributions of the liquid phase epitaxy grown AlGaAs/GaAs and GaSb solar cell structures are presented and discussed.

  12. Progress in the structural and functional characterization of kinetochores.

    PubMed

    Pesenti, Marion E; Weir, John R; Musacchio, Andrea

    2016-04-01

    Kinetochores are macromolecular complexes built on a specialized chromatin domain called the centromere. Kinetochores provide a site of attachment for spindle microtubules during mitosis. They also control a cell cycle checkpoint, the spindle assembly checkpoint, which coordinates mitotic exit with the completion of chromosome alignment on the mitotic spindle. Correct kinetochore operation is therefore indispensable for accurate chromosome segregation. With multiple copies of at least 30 structural core subunits and a myriad of regulatory subunits, kinetochores are among the largest known macromolecular machines. Biochemical reconstitution and structural analysis, together with functional studies, are bringing to light the organizational principles of these complex and fascinating structures. We summarize recent work and identify a few challenges for future work. PMID:27039078

  13. Structural characterization of coatomer in its cytosolic state.

    PubMed

    Wang, Shengliu; Zhai, Yujia; Pang, Xiaoyun; Niu, Tongxin; Ding, Yue-He; Dong, Meng-Qiu; Hsu, Victor W; Sun, Zhe; Sun, Fei

    2016-08-01

    Studies on coat protein I (COPI) have contributed to a basic understanding of how coat proteins generate vesicles to initiate intracellular transport. The core component of the COPI complex is coatomer, which is a multimeric complex that needs to be recruited from the cytosol to membrane in order to function in membrane bending and cargo sorting. Previous structural studies on the clathrin adaptors have found that membrane recruitment induces a large conformational change in promoting their role in cargo sorting. Here, pursuing negative-stain electron microscopy coupled with single-particle analyses, and also performing CXMS (chemical cross-linking coupled with mass spectrometry) for validation, we have reconstructed the structure of coatomer in its soluble form. When compared to the previously elucidated structure of coatomer in its membrane-bound form we do not observe a large conformational change. Thus, the result uncovers a key difference between how COPI versus clathrin coats are regulated by membrane recruitment. PMID:27472951

  14. Preparation, characterization, and sequential transformation of dicarbide cluster compounds with permetalated ethyne, ethene, and ethane structures

    SciTech Connect

    Akita, Munetaka; Sugimoto, Shuichiro; Tanaka, Masako; Moro-oka, Yoshihiko

    1992-09-09

    The preparation, characterization and sequential transformation of dicarbide cluster compounds with permetalated ethyne, ethene and ethane structures is discussed. The group reporting has developed a preparative method for ethynediyldimetal complexes via deprotonation. 10 refs., 3 figs.

  15. Dynamic characterization of thin-film inflatable structures

    NASA Astrophysics Data System (ADS)

    Slade, Kara Nicole

    Inflatable structures constructed from thin polyimide films form a key part of several technology development programs for solar thermal propulsion for satellites, as well as for other applications both in space and on earth. This project investigates the mechanical properties of several of these structures, focusing primarily on their dynamic behavior. The primary focus is the Shooting Star Experiment prototype developed by NASA, but a simpler cylindrical structure is also considered in order to provide an analytically tractable situation for the evaluation of testing and modeling techniques. The cylindrical strut is tested statically to determine its load-deflection characteristics both in linear and nonlinear regimes. The phenomenon of wrinkling is observed under large deflection conditions, particularly at lower pressure. Then, modal testing is used to determine the dynamic properties of the strut for comparison to numerical models. Modal testing is also conducted on Pathfinder 3, a prototype inflatable solar concentrator for the Shooting Star Experiment, both in vacuum and ambient atmospheric conditions. The orbital terminator crossing test is used to determine the dynamic susceptibility of the Pathfinder 3 structure to thermal shock, and it is found to undergo only quasistatic deformations. Finite element models of the cylinder and the Pathfinder 3 concentrator are then constructed using MSC NASTRAN. The inflatable cylinder may be modeled as a beam if only global bending is considered. This restriction leads to the development of a frequency-dependent modulus of elasticity in bending for the structure, developed from engineering beam theory. Both frequency-dependent beam models and shell models are constructed and evaluated for their efficacy. The results from the modeling of the strut are then applied to the inflatable concentrator, where it is found that the shell model captures more of the dynamic subtleties of the system than the beam model, but that both

  16. Microstructural Characterization of Hierarchical Structured Surfaces by Atomic Force Microscopy

    NASA Astrophysics Data System (ADS)

    Ponomareva, A. A.; Moshnikov, V. A.; Suchaneck, G.

    2013-12-01

    In this work, we evaluate the hierarchical surface topography of reactively sputtered nanocrystalline Pb(Zr,Ti)O3 and TiO2 thin films as well as plasma-treated antireflective PET films by means of determining the fractal dimension and power spectral density (PSD) of surface topography recorded by atomic force microscopy (AFM). Local fractal dimension was obtained using the triangulation method. The PSDs of all samples were fitted to the k-correlation model (also called ABC model) valid for a self-affine surface topography. Fractal analysis of AFM images was shown to be an appropriate and easy to use tool for the characterization of hierarchical nanostructures.

  17. Characterization of the structure and tectonic of South America

    NASA Technical Reports Server (NTRS)

    Keller, G. R.; Lidiak, E. G. (Principal Investigator)

    1981-01-01

    Geologic studies of the South American plate were undertaken. The Guayana shield is reasonably well studied, and although data are sparce, the central Brazilian shield appears similar. Both the Amazon and Parnaiba basins seem to be related to an aulocogen structure. The collection of crustal structure information and the generation of measurement of surface wave dispersion in the shield areascontinues. Long period seismograms are digitized and analyzed. Exisiting crusted and upper mantle studies were indexed. Both MAGSAT scaler and vector magnetic anomaly data were used with regional gravity anomaly data to investigate the regional tectonic features of the South American plate.

  18. Characterization of damped structural connections for multi-component systems

    NASA Technical Reports Server (NTRS)

    Lawrence, Charles; Huckelbridge, Arthur A.

    1989-01-01

    The inability to model connections adequately has historically limited the ability to predict overall system dynamic response. Connections between structural components are often mechanically complex and difficult to accurataely model analytically. Improved analytical models for connections are needed to improve system dynamic predictions. This study explores combining Component Mode Synthesis methods for coupling structural components with Parameter Identification procedures for improving the analytical modeling of the connections. Improvements in the connection stiffness and damping properties are computed in terms of physical parameters so the physical characteristics of the connections can be better understood, in addition to providing improved input for the system model.

  19. Characterization of damped structural connections for multi-component systems

    NASA Technical Reports Server (NTRS)

    Lawrence, Charles; Huckelbridge, Arthur A.

    1988-01-01

    The inability to model connections adequately has historically limited the ability to predict overall system dynamic response. Connections between structural components are often mechanically complex and difficult to accurately model analytically. Improved analytical models for connections are needed to improve system dynamic predictions. This study explores combining Component Mode Synthesis methods for coupling structural components with Parameter Identification procedures for improving the analytical modeling of the connections. Improvements in the connection stiffness and damping properties are computed in terms of physical parameters so the physical characteristics of the connections can be better understood, in addition to providing improved input for the system model.

  20. Characterization of fluid micro-structures in porous media and their relation to wettability

    NASA Astrophysics Data System (ADS)

    Karpyn, Z. T.; Piri, M.; Singh, G.; Landry, C. J.

    2009-12-01

    Uncertainties in the quantification of transport properties associated with porous soil systems often make the prediction of fluid residence and migration a difficult task. Movement and trapping of immiscible fluids in permeable formations respond to a complex combination of fluid properties, rock properties, the interactions between these fluids and the solid surface, and boundary conditions. This work includes implementation of a sophisticated experimental approach using x-rays and visualization techniques to map the distribution of immiscible liquid structures inside porous samples at the end of various displacement scenarios. We investigate the effect of flowing conditions and wettability on the evolution of fluid micro-structures and trapping in porous media using x-ray microtomography. Core-flooding experiments were conducted to monitor fluid distribution in artificial permeable samples made of solid spherical glass and polyethylene beads (0.43-0.60mm in diameter), which represent a hydrophilic and hydrophobic media, respectively. We present detailed characterizations of the trapped non-wetting phase clusters for the entire body of the cores allowing a more rigorous analysis of the responsible displacement mechanisms. Fluid injection rates and wetting characteristics were found to affect the mobilization and trapping of fluid phases in these porous systems. The degree of sensitivity to various flowing conditions and rock-fluid interactions is of crucial importance to understand immiscible transport mechanisms in natural soil environments. Results from this work are expected to provide a powerful calibration mechanism for physically-based multiphase flow models, which will in turn help in the generalization and extrapolation of experimental observations. Three-dimensional visualization of an oil cluster trapped in the pore space of a granular glass bead pack saturated with brine.