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Sample records for detailed structural characterization

  1. Detailed Structural Characterization of Unbound Protein Phosphatase 1 Inhibitors

    PubMed Central

    Dancheck, Barbara; Nairn, Angus C.; Peti, Wolfgang

    2009-01-01

    Protein Phosphatase 1 (PP1) is an essential and ubiquitous serine/threonine protein phosphatase that is regulated by more than 100 known inhibitor and targeting proteins. It is currently unclear how protein inhibitors distinctly and specifically regulate PP1 to enable rapid responses to cellular alterations. We demonstrate that two PP1 inhibitors, I-2 and DARPP-32, belong to the class of intrinsically unstructured proteins (IUPs). We show that both inhibitors have distinct preferences for transient local and long range structure. These preferences are likely their structural signature for their interaction with PP1. Furthermore, we show that upon phosphorylation of Thr34 in DARPP-32, which turns DARPP-32 into a potent inhibitor of PP1, neither local nor long range structure of DARPP-32 is altered. Therefore, our data suggests a role for these transient 3-dimensional topologies in binding mechanisms that enable extensive contacts with PP1's invariant surfaces. Together, these interactions enable potent and selective inhibition of PP1. PMID:18954090

  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. Unusual Lipid A from a Cold-Adapted Bacterium: Detailed Structural Characterization.

    PubMed

    Casillo, Angela; Ziaco, Marcello; Lindner, Buko; Parrilli, Ermenegilda; Schwudke, Dominik; Holgado, Aurora; Verstrepen, Lynn; Sannino, Filomena; Beyaert, Rudi; Lanzetta, Rosa; Tutino, Maria Luisa; Corsaro, Maria Michela

    2017-06-26

    Colwellia psychrerythraea 34H is a Gram-negative cold-adapted microorganism that adopts many strategies to cope with the limitations associated with the low temperatures of its habitat. In this study, we report the complete characterization of the lipid A moiety from the lipopolysaccharide of Colwellia. Lipid A and its partially deacylated derivative were completely characterized by high-resolution mass spectrometry, NMR spectroscopy, and chemical analysis. An unusual structure with a 3-hydroxy unsaturated tetradecenoic acid as a component of the primary acylation pattern was identified. In addition, the presence of a partially acylated phosphoglycerol moiety on the secondary acylation site at the 3-position of the reducing 2-amino-2-deoxyglucopyranose unit caused tremendous natural heterogeneity in the structure of lipid A. Biological-activity assays indicated that C. psychrerythraea 34H lipid A did not show an agonistic or antagonistic effect upon testing in human macrophages. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Detailed Structural Characterization of Sphingolipids via 193 nm Ultraviolet Photodissociation and Ultra High Resolution Tandem Mass Spectrometry

    NASA Astrophysics Data System (ADS)

    Ryan, Eileen; Nguyen, Catherine Quynh Nhu; Shiea, Christopher; Reid, Gavin E.

    2017-07-01

    Sphingolipids serve not only as components of cellular membranes but also as bioactive mediators of numerous cellular functions. As the biological activities of these lipids are dependent on their structures, and due to the limitations of conventional ion activation methods employed during tandem mass spectrometry (MS/MS), there is a recognized need for the development of improved structure-specific methods for their comprehensive identification and characterization. Here, positive-ionization mode 193 nm ultraviolet photodissociation (UVPD)-MS/MS has been implemented for the detailed structural characterization of lipid species from a range of sphingolipid classes introduced to the mass spectrometer via electrospray ionization as their lithiated or protonated adducts. These include sphingosine d18:1(4E), dihydrosphingosine (sphinganine) d18:0, sphingadiene d18:2(4E,11Z), the isomeric sphingolipids ceramide d18:1(4E)/18:0 and dihydroceramide d18:0/18:1(9Z), ceramide-1-phosphate d18:1(4Z)/16:0, sphingomyelin d18:1(4E)/18:1(9Z) the glycosphingolipids galactosyl ceramide d18:1(4E)/24:1(15Z) and lactosyl ceramide d18:1(4E)/24:0, and several endogenous lipids present within a porcine brain total lipid extract. In addition to the product ions formed by higher energy collision dissociation (HCD), UVPD is shown to yield a series of novel structurally diagnostic product ions resulting from cleavage of both sphingosine carbon-carbon and acyl chain carbon-carbon double bonds for direct localization of site(s) of unsaturation, as well as via diagnostic cleavages of the sphingosine backbone and N-C amide bond linkages. With activation timescales and dissociation efficiencies similar to those found in conventional MS/MS strategies, this approach is therefore a promising new tool in the arsenal of ion activation techniques toward providing complete structural elucidation in automated, high-throughput lipid analysis workflows.

  5. 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.

  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. Detailed Characterization of Nearshore Processes During NCEX

    NASA Astrophysics Data System (ADS)

    Holland, K.; Kaihatu, J. M.; Plant, N.

    2004-12-01

    Recent technology advances have allowed the coupling of remote sensing methods with advanced wave and circulation models to yield detailed characterizations of nearshore processes. This methodology was demonstrated as part of the Nearshore Canyon EXperiment (NCEX) in La Jolla, CA during Fall 2003. An array of high-resolution, color digital cameras was installed to monitor an alongshore distance of nearly 2 km out to depths of 25 m. This digital imagery was analyzed over the three-month period through an automated process to produce hourly estimates of wave period, wave direction, breaker height, shoreline position, sandbar location, and bathymetry at numerous locations during daylight hours. Interesting wave propagation patterns in the vicinity of the canyons were observed. In addition, directional wave spectra and swash / surf flow velocities were estimated using more computationally intensive methods. These measurements were used to provide forcing and boundary conditions for the Delft3D wave and circulation model, giving additional estimates of nearshore processes such as dissipation and rip currents. An optimal approach for coupling these remotely sensed observations to the numerical model was selected to yield accurate, but also timely characterizations. This involved assimilation of directional spectral estimates near the offshore boundary to mimic forcing conditions achieved under traditional approaches involving nested domains. Measurements of breaker heights and flow speeds were also used to adaptively tune model parameters to provide enhanced accuracy. Comparisons of model predictions and video observations show significant correlation. As compared to nesting within larger-scale and coarser resolution models, the advantages of providing boundary conditions data using remote sensing is much improved resolution and fidelity. For example, rip current development was both modeled and observed. These results indicate that this approach to data-model coupling

  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. SU-E-T-170: Characterization of the Location, Extent, and Proximity to Critical Structures of Target Volumes Provides Detail for Improved Outcome Predictions Among Pancreatic Cancer Patients

    SciTech Connect

    Cheng, Z; Moore, J; Rosati, L; Mian, O; Narang, A; Herman, J; McNutt, T

    2015-06-15

    Purpose: In radiotherapy, size, location and proximity of the target to critical structures influence treatment decisions. It has been shown that proximity of the target predicts dosimetric sparing of critical structures. In addition to dosimetry, precise location of disease has further implications such as tumor invasion, or proximity to major arteries that inhibit surgery. Knowledge of which patients can be converted to surgical candidates by radiation may have high impact on future treat/no-treat decisions. We propose a method to improve our characterization of the location of pancreatic cancer and treatment volume extent with respect to nearby arteries with the goal of developing features to improve clinical predictions and decisions. Methods: Oncospace is a local learning health system that systematically captures clinical outcomes and all aspects of radiotherapy treatment plans, including overlap volume histograms (OVH) – a measure of spatial relationships between two structures. Minimum and maximum distances of PTV and OARs based on OVH, PTV volume, anatomic location by ICD-9 code, and surgical outcome were queried. Normalized distance to center from the left and right kidney was calculated to indicate tumor location and laterality. Distance to critical arteries (celiac, superior mesenteric, common hepatic) is validated by surgical status (borderline resectable, locally advanced converted to resectable). Results: There were 205 pancreas stereotactic body radiotherapy patients treated from 2009–2015 queried. Location/laterality of tumor based on kidney OVH show strong trends between location by OVH and by ICD-9. Compared to the locally advanced group, the borderline resectable group showed larger geometrical distance from critical arteries (p=0.03). Conclusion: Our platform enabled analysis of shape/size-location relationships. These data suggest that PTV volume and attention to distance between PTVs and surrounding OARs and major arteries may be

  12. 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.

  13. Exploring the Details of Intermolecular Interactions via a Systematic Characterization of the Structures of the Bimolecular Heterodimers Formed Between Protic Acids and Haloethylenes

    NASA Astrophysics Data System (ADS)

    Leung, Helen O.

    2017-06-01

    In the early 2000's, the work of Cole and Legon, combined with that done earlier by Kisiel, Fowler, and Legon, demonstrated that comparisons among the complexes of HF, HCl, and HCCH each with vinyl fluoride could provide information concerning the strength of intermolecular interactions. Specifically, that the length of the hydrogen bond and its deviation from linearity as a result of a secondary interaction with the nucleophilic portion of the protic acid could be correlated with the hydrogen bond strength. Building on this foundation, we undertook a systematic characterization of the molecular structures of complexes formed between these three acids and the remaining polar fluoroethylenes, seeking to unravel the nature of their intermolecular interactions. What started out as a simple confirmation of chemical intuition regarding relative interaction strengths developed into a fuller appreciation of the competition between electrostatic and steric forces in determining the lowest energy configuration for the heterodimer. Additional surprises were in store for us as we expanded the study to chlorofluoroethylenes. Although the first few examples again served to confirm earlier conclusions, subsequent complexes provided unexpected results that signaled an increasing importance of the dispersion interaction in determining the geometry of the complex as well as the fundamental differences in the electron distributions surrounding the halogens in a C-F versus C-Cl bond. Our work with these species has not only allowed us to investigate fundamental questions regarding intermolecular interactions, but obtaining and analyzing the spectra of these complexes along with those of the various haloethylene monomers and their complexes with the argon atom have provided an introduction to molecular spectroscopy and structure determination for many undergraduate students. G.C. Cole and A.C. Legon, Chem. Phys. Lett. 369, 31-40 (2003). G.C. Cole and A.C. Legon, Chem. Phys. Lett. 400

  14. Structural details of the glycosyltransferase step of peptidoglycan assembly.

    PubMed

    Lovering, Andrew L; Gretes, Michael; Strynadka, Natalie C J

    2008-10-01

    The importance of peptidoglycan in forming the basis of the bacterial cell wall has led to many studies investigating its synthesis. The step of cross-linkage via transpeptidation, and its inhibition by penicillins, has been extremely well characterized yet knowledge of the preceding glycosyltransfer reaction remained elusive until recently. The structures of two glycosyltransferase enzymes, catalyzing membrane-based polymerization of the lipid II monomer unit, have presented a means of elucidating the molecular details of this highly desirable antibiotic target. Evidence acquired before the publication of the structures is related here to these new findings, with particular emphasis on the recognition of substrates and inhibitors.

  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. 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.

  17. 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.

  18. Structured detailed opto-mechanical tolerance modeling

    NASA Astrophysics Data System (ADS)

    Swart, P. C.

    2016-02-01

    Opto-mechanical tolerancing is a complex art, which is often reduced to inadequate tabled data of allowable tilts and decentres. During the process the respective roles of optical- and mechanical designers can become entangled and a source of conflict. A framework of principles is introduced to guide the design team through these murky waters. From these principles the development of a catalogue of models, practices and past precedents are proposed. An example is presented to serve as illustration. The final result is a model, of opto-mechanical tolerances, which allows a structured flow of tolerances into optical performance prediction.

  19. 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

  20. Structural details below roadway, looking north from south abutment. ...

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

    Structural details below roadway, looking north from south abutment. - Pleasantville Covered Bridge, Spanning Little Manatawny Creek at Covered Bridge Road (State Route 1030), Manatawny, Berks County, PA

  1. Detailed biochemical characterization of human placental cystatin (HPC).

    PubMed

    Rashid, F; Sharma, S; Bano, B

    2006-08-01

    A low molecular weight thiol protease inhibitor (12,500) purified from human placenta has been characterized in detail. Human placental cystatin (HPC) was found to be stable in the pH range 3.0-9.0 and temperature stability was between 40 and 100 degrees C. It does not have any disulphide groups and carbohydrate content. There was no cross-reaction between anti-HPC serum and other purified cystatins like HMW kininogens isolated from sheep plasma and phytocystatins isolated from Phaseolus mungo. The kinetics of inhibition of HPC was studied with ficin and bromelain and the comparison was made with our already reported results with papain. The respective K(i) values obtained for ficin and bromelain are 8.4 x 10(-8) M and 9.5 x 10(-8) M, respectively, whereas the value for papain was 5.5 x 10(-8) M. The values of association constants (K(ass)) for ficin and bromelain were 2.9 x 10(3) and 8.6 x 10(2) M(-1) s(-1), respectively, however, the value for papain was 3.4 x 10(4) M(-1) s(-1), the respective dissociation constant values for ficin and bromelain were 2.6 x 10(-5) and 2.1 x 10(-5) s(-1), respectively, and the value obtained for papain was 2.3 x 10(-5) s(-1). These kinetic parameters taken together along with t(1/2) values and IC(50) values imply that HPC binds more effectively to papain, then ficin and least with bromelain. Far-UV-CD analysis shows that HPC has 21.08% alpha-helical structure and significant amount of beta structure. Near-UV-CD spectra of HPC show positive peak at 280 nm indicating significant amount of tertiary interactions. The partial amino acid sequence analysis shows that HPC has highest sequence homology with chicken cystatin and Gly residue is present at position 11 rather than at conserved position 9, which has also been reported for human stefin A structure. The hydropathy plot of 1-30 amino acid residues shows that most amino acids of this stretch are present in the hydrophobic core of the protein. Owing to low molecular weight, absence

  2. 31. View southeast from north side of structure noting detail ...

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

    31. View southeast from north side of structure noting detail of Section 2 of the Metal Bent portion of the structure. - Augustine Bridge, Brandywine River,Augustine Cutoff, Wilmington, New Castle County, DE

  3. 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

  4. 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

  5. 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

  6. Section A, detail view parking structure, northwest stair tower, showing ...

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

    Section A, detail view parking structure, northwest stair tower, showing smoke damage under floors, looking north/northeast. (BH) - World Trade Center Site, Bounded by Vesey, Church, Liberty Streets, & Route 9A, New York County, NY

  7. 11. Interior detail showing truss structure at shop area ...

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

    11. Interior detail showing truss structure at shop area - Fort Hood, World War II Temporary Buildings, Company Maintenance Shop & Arms Room, North of Park Avenue at Forty-ninth Street, Killeen, Bell County, TX

  8. 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

  9. 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

  10. 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

  11. 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

  12. 21. DETAIL OF STRUCTURAL BAY ON NORTH ELEVATION OF BUILDING ...

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

    21. DETAIL OF STRUCTURAL BAY ON NORTH ELEVATION OF BUILDING 216 (AMMUNITION MAINTENANCE SHOP) IN ASSEMBLY AREA. - Loring Air Force Base, Weapons Storage Area, Northeastern corner of base at northern end of Maine Road, Limestone, Aroostook County, ME

  13. 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

  14. Detail of the wharf support structure with four pipes running ...

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

    Detail of the wharf support structure with four pipes running across - U.S. Naval Base, Pearl Harbor, Marine Railway No. 2, Crane Wharf, Near intersection of Avenue G & Third Street , Pearl City, Honolulu County, HI

  15. 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

  16. 5. CAR DUMP, VIEW SHOWING STRUCTURAL DETAIL BELOW CONTROL HOUSE, ...

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

    5. CAR DUMP, VIEW SHOWING STRUCTURAL DETAIL BELOW CONTROL HOUSE, BARNEY CAR CAN BE SEEN IN BACKROUND - Pennsylvania Railroad, Canton Coal Pier, Clinton Street at Keith Avenue (Canton area), Baltimore, Independent City, MD

  17. 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

  18. 11. DETAIL VIEW OF DAM 87, SHOWING STOPLOG STRUCTURE (PARTIALLY ...

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

    11. DETAIL VIEW OF DAM 87, SHOWING STOPLOG STRUCTURE (PARTIALLY HIDDEN BY MARSH GRASSES IN LOWER PART OF PHOTO) AT RIGHT (WEST) END OF SPILLWAY - Upper Souris National Wildlife Refuge, Dam 87, Souris River Basin, Foxholm, Surrey (England), ND

  19. 22. Detail taken from center of bridge showing upper structure ...

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

    22. Detail taken from center of bridge showing upper structure and roadway, from northwest. - Brady Street Bridge, Spanning Monongahela River at South Twenty-second Street, Pittsburgh, Allegheny County, PA

  20. 32. DETAIL OF BRIDGE COUNTERWEIGHTS AND SUSPENSION STRUCTURE BETWEEN BRIDGE ...

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

    32. DETAIL OF BRIDGE COUNTERWEIGHTS AND SUSPENSION STRUCTURE BETWEEN BRIDGE NOS. 12 AND 13. LOOKING EAST-SOUTHEAST. - Greenville Yard, Transfer Bridge System, Port of New York/New Jersey, Upper New York Bay, Jersey City, Hudson County, NJ

  1. 30. DETAIL OF COLLAPSED BRIDGE NO. 14 SUSPENSION STRUCTURE. LOOKING ...

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

    30. DETAIL OF COLLAPSED BRIDGE NO. 14 SUSPENSION STRUCTURE. LOOKING SOUTHWEST. - Greenville Yard, Transfer Bridge System, Port of New York/New Jersey, Upper New York Bay, Jersey City, Hudson County, NJ

  2. 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

  3. 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

  4. 43. Detail, subdeck, east bridge land span showing typical structural ...

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

    43. Detail, sub-deck, east bridge land span showing typical structural connections and relationship to stone pier. - Broadway Bridge, Spanning Foundry Street, MBTA Yard, Fort Point Channel, & Lehigh Street, Boston, Suffolk County, MA

  5. 18. DETAIL VIEW SHOWING SAWTOOTH MONITOR ROOF AND TYPICAL STRUCTURAL ...

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

    18. DETAIL VIEW SHOWING SAWTOOTH MONITOR ROOF AND TYPICAL STRUCTURAL CONFIGURATION OF TOP STORY, NORTH SECTION, THIRD FLOOR, LOOKING WEST INTO SOUTH SECTION - Massachusetts Mills, Cloth Room-Section 15, 95 Bridge Street, Lowell, Middlesex County, MA

  6. 143. North Carolina route 181 grade separation structure. Detail of ...

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

    143. North Carolina route 181 grade separation structure. Detail of the arch stones. View is east-southeast. - Blue Ridge Parkway, Between Shenandoah National Park & Great Smoky Mountains, Asheville, Buncombe County, NC

  7. 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

  8. 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

  9. 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

  10. 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

  11. 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

  12. 6. DETAIL OF DRIVE TRUCK ASSEMBLY. MOBILE SERVICE STRUCTURE SPANNING ...

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

    6. DETAIL OF DRIVE TRUCK ASSEMBLY. MOBILE SERVICE STRUCTURE SPANNING LAUNCHER BUILDING WITH FLAME DUCT FAR RIGHT; VIEW TO NORTHWEST. - Cape Canaveral Air Station, Launch Complex 17, Facility 28416, East end of Lighthouse Road, Cape Canaveral, Brevard County, FL

  13. 15. Photocopy of Engineering Drawing, Structural Steel Details (from City ...

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

    15. Photocopy of Engineering Drawing, Structural Steel Details (from City of Norton Shores) - William S. Antisdale Memorial State Reward Bridge, Spanning Mona Lake at Henry Street, Norton Shores, Muskegon County, MI

  14. 21. INTERIOR DETAIL OF 1887 STRUCTURAL FRAMING, BUILDING 1. ...

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

    21. INTERIOR DETAIL OF 1887 STRUCTURAL FRAMING, BUILDING 1. - New Orleans City Railroad Company, Canal Station, Square 365, bounded by Canal, North Dupre, Iberville, & North White Streets, New Orleans, Orleans Parish, LA

  15. 23. INTERIOR DETAIL OF STRUCTURAL FRAMING, BUILDING 2. New ...

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

    23. INTERIOR DETAIL OF STRUCTURAL FRAMING, BUILDING 2. - New Orleans City Railroad Company, Canal Station, Square 365, bounded by Canal, North Dupre, Iberville, & North White Streets, New Orleans, Orleans Parish, LA

  16. 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

  17. 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

  18. 18. DETAIL VIEW OF THE HIGH BAY STRUCTURAL SYSTEM AND ...

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

    18. DETAIL VIEW OF THE HIGH BAY STRUCTURAL SYSTEM AND WINDOW ILLUMINATION AT THE SHRINK PIT AREA, S END OF B BAY; LOOKING SSE. (Ceronie) - Watervliet Arsenal, Building No. 135, Gillespie Road, South of Parker Road, Watervliet, Albany County, NY

  19. 6. DETAILED INTERIOR VIEW OF SOUTH SECTION, SHOWING ROOF STRUCTURAL ...

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

    6. DETAILED INTERIOR VIEW OF SOUTH SECTION, SHOWING ROOF STRUCTURAL SYSTEM, LOOKING NORTH AND UP - Marvine Colliery, Oil House, West side Boulevard Avenue, between East Parker Street & Route 380, Scranton, Lackawanna County, PA

  20. 6. Detail of heavy timber structural system at ground floor ...

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

    6. Detail of heavy timber structural system at ground floor level of Tender Frame Shop. - Central of Georgia Railway, Savannah Repair Shops & Terminal Facilities, Tender Frame Shop, Bounded by West Broad, Jones, West Boundary & Hull Streets, Savannah, Chatham County, GA

  1. INTERIOR VIEW, DETAIL OF BARREL ROOF STRUCTURE, FACING NORTHEAST. ...

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

    INTERIOR VIEW, DETAIL OF BARREL ROOF STRUCTURE, FACING NORTHEAST. - Southern Branch of the National Home for Disabled Volunteer Soldiers, Building 13, Harris Avenue at its intersection of Black Avenue and Woodfin Street, Hampton, Hampton, VA

  2. 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

  3. 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

  4. 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

  5. Photograph of elevation and details of structure 841, used for ...

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

    Photograph of elevation and details of structure 841, used for repair project, dated 1973. Drawing in collection of Caretaker Site Office, Philadelphia Naval Business Center. - Naval Base Philadelphia-Philadelphia Naval Shipyard, Structure No. 841, Delaware Avenue between East Fourth Street & Webster Avenue, League Island, Philadelphia, Philadelphia County, PA

  6. 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.

  7. Toward a detailed characterization of oil adsorbates as "solid liquids".

    PubMed

    Kutza, Claudia; Metz, Hendrik; Kutza, Johannes; Syrowatka, Frank; Mäder, Karsten

    2013-05-01

    Solid lipid formulation systems are used to overcome oral bioavailability problems of poorly water-soluble drugs. One promising process is the conversion of a liquid lipid system in a free flowing powder by use of adsorbing excipients. The aim of this study was the detailed characterization of solid-liquid interactions in oil adsorbed to Fujicalin and Neusilin which were manufactured by means of dual asymmetric centrifugation or conventional mortar/pestle blending. The adsorption strength of the excipients was investigated by Benchtop-NMR and ESR spectroscopy revealing the highest adsorption power for the Neusilin products. The adsorbate production methods as well as the storage of the excipients impact their adsorption properties. Environmental scanning electron microscopy (ESEM) and confocal laser scanning microscopy (CLSM) show that dual asymmetric centrifugation leads to a smoothing of the particle surface, whereas the mortar/pestle blending results in an uneven surface and particle destruction. The oil distribution at the particles is inhomogeneous for both production methods. The micropolarity of the adsorbed oil was investigated by ESR spectroscopy and multispectral fluorescence imaging. The adsorbing process on Neusilin leads to an increased micropolarity of the oil component. The release of the oil component in aqueous media could be verified by Benchtop-NMR and multispectral fluorescence imaging. Copyright © 2012 Elsevier B.V. All rights reserved.

  8. 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.

  9. 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

  10. 5. Interior Detail of Roof Structure and Trusses Note: Photographs ...

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

    5. Interior Detail of Roof Structure and Trusses Note: Photographs Nos. CA-1543F-6 through CA-1543F-19 are photocopies of construction drawings (various dates). Originals located at Mare Island Naval Shipyard-Staff Civil Engineer's Office. - Mare Island Naval Shipyard, Chemical Cleaning Facility, North of Fourteenth Street, between California & Railroad Avenue, Vallejo, Solano County, CA

  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. 35. DETAIL VIEW OF THE UNDERSIDE AND SUPPORT STRUCTURE OF ...

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

    35. DETAIL VIEW OF THE UNDERSIDE AND SUPPORT STRUCTURE OF THE ORE BINS. VIEW WAS TAKEN FROM THE STAIR LANDING BETWEEN THE BREAKER LEVEL AND THE STAMP LEVEL. - Standard Gold Mill, East of Bodie Creek, Northeast of Bodie, Bodie, Mono County, CA

  13. Interior detail of the north side roof structure and windows ...

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

    Interior detail of the north side roof structure and windows in the sail loft. View facing east northeast - U.S. Naval Base, Pearl Harbor, Shipfitter's Shop, Seventh Street near Avenue C, Adjacent to Repair Basins, Pearl City, Honolulu County, HI

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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

  19. 52. INTERIOR OF BRIDGE SUSPENSION STRUCTURE AND DETAIL OF LIFTING ...

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

    52. INTERIOR OF BRIDGE SUSPENSION STRUCTURE AND DETAIL OF LIFTING SCREW MACHINERY ABOVE BRIDGE NOS. 12 AND 11. LOOKING NORTH. - Greenville Yard, Transfer Bridge System, Port of New York/New Jersey, Upper New York Bay, Jersey City, Hudson County, NJ

  20. 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

  1. 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

  2. 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

  3. 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

  4. 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

  5. 26. DETAIL TO NORTH OF BUS STRUCTURE. NEW POWERHOUSE SECOND ...

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

    26. DETAIL TO NORTH OF BUS STRUCTURE. NEW POWERHOUSE SECOND FLOOR, WITH OIL CIRCUIT BREAKER UNITS (LEFT) AND TANK LIFTER (CENTER) - Trenton Falls Hydroelectric Station, Powerhouse & Substation, On west bank of West Canada Creek, along Trenton Falls Road, 1.25 miles north of New York Route 28, Trenton Falls, Oneida County, NY

  6. 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

  7. 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

  8. 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

  9. 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

  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. DETAIL VIEW, STRUCTURAL TIMBER AND FLOOR JOISTS, SOUTH GARRET. THIS ...

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

    DETAIL VIEW, STRUCTURAL TIMBER AND FLOOR JOISTS, SOUTH GARRET. THIS TIMBER IS ONE OF TWO EXTENDING OUT FROM THE HOUSE AND JOINED TO VERTICAL POSTS LOCATED WITHIN THE WOOD TUSCAN COLUMNS LOCATED AT THE PORTICO’S TWO OUTER CORNERS. THE TIMBERS AND THE VISIBLE FLOOR JOISTS WERE PART OF THE HOUSE’S INITIAL CA. 1770 CONSTRUCTION - The Woodlands, 4000 Woodlands Avenue, Philadelphia, Philadelphia County, PA

  12. Detail of pier structure and wood fenders of Facility No. ...

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

    Detail of pier structure and wood fenders of Facility No. B-1, showing floats in foreground and bollards on pier, view facing east - U.S. Naval Base, Pearl Harbor, South Quay Wall & Repair Wharf, L-shaped portion of quay walls starting at east side of mouth of Dry Dock No. 1, continuing along ocean side of Sixth Street, adjacent to Pier B-2, Pearl City, Honolulu County, HI

  13. 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

  14. 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

  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. 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.

  17. 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 Central

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

    2015-01-01

    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 E. 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

  18. Partially Assembled Nucleosome Structures at Atomic Detail.

    PubMed

    Rychkov, Georgy N; Ilatovskiy, Andrey V; Nazarov, Igor B; Shvetsov, Alexey V; Lebedev, Dmitry V; Konev, Alexander Y; Isaev-Ivanov, Vladimir V; Onufriev, Alexey V

    2017-02-07

    The evidence is now overwhelming that partially assembled nucleosome states (PANS) are as important as the canonical nucleosome structure for the understanding of how accessibility to genomic DNA is regulated in cells. We use a combination of molecular dynamics simulation and atomic force microscopy to deliver, in atomic detail, structural models of three key PANS: the hexasome (H2A·H2B)·(H3·H4)2, the tetrasome (H3·H4)2, and the disome (H3·H4). Despite fluctuations of the conformation of the free DNA in these structures, regions of protected DNA in close contact with the histone core remain stable, thus establishing the basis for the understanding of the role of PANS in DNA accessibility regulation. On average, the length of protected DNA in each structure is roughly 18 basepairs per histone protein. Atomistically detailed PANS are used to explain experimental observations; specifically, we discuss interpretation of atomic force microscopy, Förster resonance energy transfer, and small-angle x-ray scattering data obtained under conditions when PANS are expected to exist. Further, we suggest an alternative interpretation of a recent genome-wide study of DNA protection in active chromatin of fruit fly, leading to a conclusion that the three PANS are present in actively transcribing regions in a substantial amount. The presence of PANS may not only be a consequence, but also a prerequisite for fast transcription in vivo.

  19. Crack propagation modelling for high strength steel welded structural details

    NASA Astrophysics Data System (ADS)

    Mecséri, B. J.; Kövesdi, B.

    2017-05-01

    Nowadays the barrier of applying HSS (High Strength Steel) material in bridge structures is their low fatigue strength related to yield strength. This paper focuses on the fatigue behaviour of a structural details (a gusset plate connection) made from NSS and HSS material, which is frequently used in bridges in Hungary. An experimental research program is carried out at the Budapest University of Technology and Economics to investigate the fatigue lifetime of this structural detail type through the same test specimens made from S235 and S420 steel grades. The main aim of the experimental research program is to study the differences in the crack propagation and the fatigue lifetime between normal and high strength steel structures. Based on the observed fatigue crack pattern the main direction and velocity of the crack propagation is determined. In parallel to the tests finite element model (FEM) are also developed, which model can handle the crack propagation. Using the measured strain data in the tests and the calculated values from the FE model, the approximation of the material parameters of the Paris law are calculated step-by-step, and their calculated values are evaluated. The same material properties are determined for NSS and also for HSS specimens as well, and the differences are discussed. In the current paper, the results of the experiments, the calculation method of the material parameters and the calculated values are introduced.

  20. 115. Stage Level floor structure. Detail of the ends of ...

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

    115. Stage Level floor structure. Detail of the ends of three movable stage floor sections. An inclined steel angle track attached to the web of the floor beam allows the sections to roll under the fixed floor. The upper section of the inclined track is hinged so it can be moved upward by a cam mechanism to raise the end of the movable section level with the stage floor. A similar mechanism was used to open and close the floor sections for the star lifts (see sheet 4 of 9, note 6; sheet 8 of 9, details 5, 6A and 6B; sheet 6 of 9, notes 2A, 2B, and 3; and photo IL-1007-120). The pulley, and tongue extending out from the end of the movable section, were used to move the sections back and forth. - Auditorium Building, 430 South Michigan Avenue, Chicago, Cook County, IL

  1. 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

  2. Detailed electromagnetic simulation for the structural color of butterfly wings.

    PubMed

    Lee, R Todd; Smith, Glenn S

    2009-07-20

    Many species of butterflies exhibit interesting optical phenomena due to structural color. The physical reason for this color is subwavelength features on the surface of a single scale. The exposed surface of a scale is covered with a ridge structure. The fully three-dimensional, periodic, finite-difference time-domain method is used to create a detailed electromagnetic model of a generic ridge. A novel method for presenting the three-dimensional observed color pattern is developed. Using these tools, the change in color that is a result of varying individual features of the scale is explored. Computational models are developed that are similar to three butterflies: Morpho rhetenor, Troides magellanus, and Ancyluris meliboeus.

  3. Fatigue Characterization of Fabricated Ship Details for Design.

    DTIC Science & Technology

    1982-08-01

    Welded Connections," SRS No. 366, Department of Civil Engineering, University of Illinois, Urbana-Champaign, August 1970. 2.13 Derecho , A. T. and...Performing Organization Name and Addess 10. Wnk UnvfNo. (TRAIS) Department of Civil Engineering University of Illinois at Urbana-Champaign II...on Structural Fatigue," Journal of the Structural Division, American Society of Civil Engineers, Vol. 44, No. ST12, December 1968, pp. 2663-2797. 2.6

  4. Recent developments in the detailed characterization of polymers by multidimensional chromatography.

    PubMed

    Baumgaertel, Anja; Altuntaş, Esra; Schubert, Ulrich S

    2012-06-01

    Synthetic polymers as well as biopolymers reveal complex structures, such as variations in functionality, chain length and architecture. Therefore, combinations of different chromatographic techniques are a prerequisite for a detailed characterization. One possible approach is the combination of high performance liquid chromatography at critical conditions (LCCC) and size-exclusion chromatography, also named as two-dimensional chromatography, which allows the separation of the polymers according to different properties, like molar mass, chemical composition or functionality. In addition, LCCC hyphenated with different mass spectrometry techniques, e.g. MALDI-TOF or ESI-TOF, leads to additional information about molecular details of the polymeric structure. We summarize in this article the recent developments in two-dimensional chromatography of synthetic polymers and biopolymers since 2005. Copyright © 2012 Elsevier B.V. All rights reserved.

  5. 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.

  6. 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

  7. Detailed analysis of structure and particle trajectories in sheared suspensions

    NASA Astrophysics Data System (ADS)

    Morris, Jeffrey; Katyal, Bhavana

    1999-11-01

    The structure and particle dynamics of sheared suspensions of hard spheres over a range of shear strength to Brownain motion (Péclet number, Pe) have been studied by detailed analysis of extended sampling of Stokesian Dynamics simulations of simple shear. The emphasis is upon large Pe. The structure has been analyzed by decomposition of the pair distribution function, g(r), into spherical harmonics; the harmonics are a complete set for the decompositon. The results indicate a profound and very marked change in structure due to shearing. It is shown that as Pe increases, the structure is increasingly distorted from teh equilibrium spherical symmetry and the number of harmonics required to recompose the original data to within an arbitrary accuracy increases, and this variation depends upon particle fraction. We present information on the content of the dominant harmonics as a function of radial distance for a pair, and interpret the results in terms of preferred directions in the material. Dynamic particle trajectories at time scales long relative to that used for the Brownian step are analyzed in a novel fashion by simple differential geometric measures, such as root mean square path curvature and torsion. Preliminary results illustrate that the path variation from mean flow correlates with the particle stress.

  8. Detailed characterization of the LLNL imaging proton spectrometer

    NASA Astrophysics Data System (ADS)

    Rasmus, A. M.; Hazi, A. U.; Manuel, M. J.-E.; Kuranz, C. C.; Klein, S. R.; Belancourt, P. X.; Fein, J. R.; MacDonald, M. J.; Drake, R. P.; Pollock, B. B.; Park, J.; Williams, G. J.; Chen, H.

    2016-11-01

    Ultra-intense short pulse lasers incident on solid targets (e.g., thin Au foils) produce well collimated, broad-spectrum proton beams. These proton beams can be used to characterize magnetic fields, electric fields, and density gradients in high energy-density systems. The LLNL-Imaging Proton Spectrometer (L-IPS) was designed and built [H. Chen et al., Rev. Sci. Instrum. 81, 10D314 (2010)] for use with such laser produced proton beams. The L-IPS has an energy range of 50 keV-40 MeV with a resolving power (E/dE) of about 275 at 1 MeV and 21 at 20 MeV, as well as a single spatial imaging axis. In order to better characterize the dispersion and imaging capability of this diagnostic, a 3D finite element analysis solver is used to calculate the magnetic field of the L-IPS. Particle trajectories are then obtained via numerical integration to determine the dispersion relation of the L-IPS in both energy and angular space.

  9. Detailed characterization of the LLNL imaging proton spectrometer

    SciTech Connect

    Rasmus, A. M.; Hazi, A. U.; Manuel, M. J. -E.; Kuranz, C. C.; Klein, S. R.; Belancourt, P. X.; Fein, J. R.; MacDonald, M. J.; Drake, R. P.; Pollock, B. B.; Park, J.; Williams, G. J.; Chen, H.

    2016-09-01

    Here, ultra-intense short pulse lasers incident on solid targets (e.g., several um thick Au foils) produce well collimated, broad-energy-spectrum proton beams. These proton beams can be used to characterize magnetic fields, electric fields (through particle deflection), and density gradients (through collisions) in high energy-density systems. The LLNL-Imaging Proton Spectrometer (L-IPS) was designed and built for use with such laser produced proton beams. The L-IPS has an energy range of 50 keV-40 MeV with a resolving power (E/dE) of about 275 at 1 MeV and 21 at 20 MeV, as well as a single spatial imaging axis. The protons enter the diagnostic through a vertical slit, aligned with a magnetic field imposed by permanent magnets. The protons are deflected perpendicular to the magnetic field (and therefor slit), so that spatial information in the direction of the slit is preserved. The extent to which the protons are bent by the magnetic field depends on the energy, so that the energy of the protons can be resolved as well. The protons are then measured by image plates, in which a meta-stable state is excited by collisions with the protons, which can later be imaged by a scanner. In order to better characterize the dispersion and imaging capability of this diagnostic, a 3D finite element analysis solver is used to calculate the magnetic field of the L-IPS. Particle trajectories are then obtained via numerical integration to determine the dispersion relation of the L-IPS in both energy and angular space.

  10. Detailed characterization of the LLNL imaging proton spectrometer

    DOE PAGES

    Rasmus, A. M.; Hazi, A. U.; Manuel, M. J. -E.; ...

    2016-09-01

    Here, ultra-intense short pulse lasers incident on solid targets (e.g., several um thick Au foils) produce well collimated, broad-energy-spectrum proton beams. These proton beams can be used to characterize magnetic fields, electric fields (through particle deflection), and density gradients (through collisions) in high energy-density systems. The LLNL-Imaging Proton Spectrometer (L-IPS) was designed and built for use with such laser produced proton beams. The L-IPS has an energy range of 50 keV-40 MeV with a resolving power (E/dE) of about 275 at 1 MeV and 21 at 20 MeV, as well as a single spatial imaging axis. The protons enter themore » diagnostic through a vertical slit, aligned with a magnetic field imposed by permanent magnets. The protons are deflected perpendicular to the magnetic field (and therefor slit), so that spatial information in the direction of the slit is preserved. The extent to which the protons are bent by the magnetic field depends on the energy, so that the energy of the protons can be resolved as well. The protons are then measured by image plates, in which a meta-stable state is excited by collisions with the protons, which can later be imaged by a scanner. In order to better characterize the dispersion and imaging capability of this diagnostic, a 3D finite element analysis solver is used to calculate the magnetic field of the L-IPS. Particle trajectories are then obtained via numerical integration to determine the dispersion relation of the L-IPS in both energy and angular space.« less

  11. Detailed characterization of the LLNL imaging proton spectrometer

    SciTech Connect

    Rasmus, A. M.; Hazi, A. U.; Manuel, M. J. -E.; Kuranz, C. C.; Klein, S. R.; Belancourt, P. X.; Fein, J. R.; MacDonald, M. J.; Drake, R. P.; Pollock, B. B.; Park, J.; Williams, G. J.; Chen, H.

    2016-09-01

    Here, ultra-intense short pulse lasers incident on solid targets (e.g., several um thick Au foils) produce well collimated, broad-energy-spectrum proton beams. These proton beams can be used to characterize magnetic fields, electric fields (through particle deflection), and density gradients (through collisions) in high energy-density systems. The LLNL-Imaging Proton Spectrometer (L-IPS) was designed and built for use with such laser produced proton beams. The L-IPS has an energy range of 50 keV-40 MeV with a resolving power (E/dE) of about 275 at 1 MeV and 21 at 20 MeV, as well as a single spatial imaging axis. The protons enter the diagnostic through a vertical slit, aligned with a magnetic field imposed by permanent magnets. The protons are deflected perpendicular to the magnetic field (and therefor slit), so that spatial information in the direction of the slit is preserved. The extent to which the protons are bent by the magnetic field depends on the energy, so that the energy of the protons can be resolved as well. The protons are then measured by image plates, in which a meta-stable state is excited by collisions with the protons, which can later be imaged by a scanner. In order to better characterize the dispersion and imaging capability of this diagnostic, a 3D finite element analysis solver is used to calculate the magnetic field of the L-IPS. Particle trajectories are then obtained via numerical integration to determine the dispersion relation of the L-IPS in both energy and angular space.

  12. Detailed temperature mapping-Warming characterizes archipelago zones

    NASA Astrophysics Data System (ADS)

    Veneranta, L.; Vanhatalo, J.; Urho, L.

    2016-12-01

    Rapidly warming shallow archipelago areas have the best energetic options for high ecological production. We analyzed and visualized the spring and summer temperature development in the Finnish coastal areas of the Northern Baltic Sea. Typical for the Baltic is a high annual periodicity and variability in water temperatures. The maximum difference between a single day average temperatures across the study area was 28.3 °C. During wintertime the littoral water temperature can decrease below zero in outer archipelago or open water areas when the protective ice cover is not present and the lowest observed value was -0.5 °C. The depth and exposition are the most important variables explaining the coastal temperature gradients from the innermost to the outermost areas in springtime when water is heated by increasing solar radiation. Temperature differs more within coastal area than between the basins. Water temperature sum was highest in innermost areas, lowest in open water areas and the variation in daily averages was highest in the middle region. At the end of the warming period, the difference in surface water temperatures between the innermost and outermost areas had diminished at the time when the cooling began in August-September. These clear temperature gradients enabled us use the cumulative water temperature to classify the coastal zones in a biologically sensible manner into five regions. Our study shows a novel approach to study detailed spatial variations in water temperatures. The results can further be used, for example, to model and predict the spatial distribution of aquatic biota and to determine appropriate spatio-temporal designs for aquatic biota surveys. The new spatial knowledge of temperature regions will also help the evaluation of possible causes of larger scale climatological changes in a biological context including productivity.

  13. 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.

  14. ELECTRON MICROSCOPY OF STRUCTURAL DETAIL IN FROZEN BIOLOGICAL SPECIMENS

    PubMed Central

    Steere, Russell L.

    1957-01-01

    A procedure is described whereby preshadowed replicas can be obtained from frozen biological specimens which have been cut and then etched by sublimation of the ice from their surfaces. Electron micrographs showing details of the internal structure of plant virus crystals are presented to demonstrate the values of the procedure. Crystals of purified tobacco ringspot virus and squash mosaic virus and some portions of turnip yellow mosaic virus crystals have been shown to exhibit hexagonal packing. Sections through in situ crystals of tobacco mosaic virus show the rods to be parallel within each layer and arranged in a square net as viewed end on. Individual rods in each layer of the latter measure 300 mµ in length and are somewhat tilted with respect to the rods of adjacent layers. This results in the formation of a herring-bone appearance when a crystal is cut perpendicular to its hexagonal face. It is suggested that the procedure outlined here might well serve to supplement other procedures for the preparation of many cytological specimens for electron microscopy. PMID:13416310

  15. 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.

  16. 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

  17. Detailed characterization of lithium diffusion mechanisms in crystalline silicon using the kinetic Activation-Relaxation Technique

    NASA Astrophysics Data System (ADS)

    Trochet, Mickaël; Restrepo Gutierrez, Oscar Antonio; Mousseau, Normand

    Silicon displays a potential for high-capacity anode material for lithium-ion batteries as it can absorb large quantities of this metal. Yet, very little is understood about the evolution of diffusion mechanisms and migration barriers as the concentration of lithium increases. Until now, for example, simulations studies were limited by the time scale over which diffusion takes place. Here, we use the kinetic activation relaxation technique (kART), an unbiased off-lattice Monte Carlo method with on-the fly catalog building, coupled with the ReaxFF forcefield to follow diffusion of Li in c - Si over timescale of seconds and more at room temperature, obtaining detailed information about the whole set of possible diffusion mechanisms as the local environment evolves. We first present a detailed characterization of Li diffusion in the presence of 1 to 3 impurities and then show the evolution of systems with a higher concentration of solute as Li aggregate. These results provide a first detailed picture of the onset of Li aggregating into this high-capacity material, as it modifies the structure through local rearrangements and long-range elastic deformations, crucial information for the development of the next generation of high-capacity anode. ∖pard ∖pard.

  18. Structural characterization of solid foams

    NASA Astrophysics Data System (ADS)

    Maire, Éric; Adrien, Jérôme; Petit, Clémence

    2014-10-01

    For being a useful contribution to the understanding of the properties of solid foams, the characterization of the structure of solid foams has to be performed at different scales. The microstructure of the solid part of the foams has to be analyzed. For this, standard SEM observations are often used. The most important aspect (and the most problematic) remains the characterization of the porous architecture of these materials. The methods introduced in this paper concern both scales and the article discusses the specificity of the experiments in the case of porous materials. X-ray tomography is described in more details because it becomes widely used for this purpose. The paper also shows how the obtained 3D images (sometimes obtained during deformation) can be processed to yield important morphological parameters describing the foams. xml:lang="fr"

  19. 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

  20. Detailed requirements for a next generation nuclear data structure.

    SciTech Connect

    Brown, D.

    2016-07-05

    This document attempts to compile the requirements for the top-levels of a hierarchical arrangement of nuclear data such as found in the ENDF format. This set of requirements will be used to guide the development of a new data structure to replace the legacy ENDF format.

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

    NASA Astrophysics Data System (ADS)

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

    2007-02-01

    The first results from a near-contemporaneous optical and infrared spectroscopic observing program designed to probe the detailed density structure of classical Be circumstellar disks are presented. We report the discovery of asymmetrical infrared emission lines of He I, O I, Fe II, and the Brackett, Paschen, and Pfund series lines of H I that exhibit an opposite V/R orientation (V>R) to that observed for the optical Balmer Hα line (Vcharacterizes ζ Tau's disk has a significantly different average azimuthal morphology in the inner disk region as compared to the outer disk region. A follow-up multiwavelength observational campaign to trace the temporal evolution of these line profile morphologies, along with detailed theoretical modeling, is suggested to test this hypothesis.

  2. Detailed tuning of structure and intramolecular communication are dispensable for processive motion of myosin VI.

    PubMed

    Elting, Mary Williard; Bryant, Zev; Liao, Jung-Chi; Spudich, James A

    2011-01-19

    Dimeric myosin VI moves processively hand-over-hand along actin filaments. We have characterized the mechanism of this processive motion by measuring the impact of structural and chemical perturbations on single-molecule processivity. Processivity is maintained despite major alterations in lever arm structure, including replacement of light chain binding regions and elimination of the medial tail. We present kinetic models that can explain the ATP concentration-dependent processivities of myosin VI constructs containing either native or artificial lever arms. We conclude that detailed tuning of structure and intramolecular communication are dispensable for processive motion, and further show theoretically that one proposed type of nucleotide gating can be detrimental rather than beneficial for myosin processivity. Copyright © 2011 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  3. 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.

  4. Detailed structure-function correlations of Bacillus subtilis acetolactate synthase.

    PubMed

    Sommer, Bettina; von Moeller, Holger; Haack, Martina; Qoura, Farah; Langner, Clemens; Bourenkov, Gleb; Garbe, Daniel; Loll, Bernhard; Brück, Thomas

    2015-01-02

    Isobutanol is deemed to be a next-generation biofuel and a renewable platform chemical.1 Non-natural biosynthetic pathways for isobutanol production have been implemented in cell-based and in vitro systems with Bacillus subtilis acetolactate synthase (AlsS) as key biocatalyst.2-6 AlsS catalyzes the condensation of two pyruvate molecules to acetolactate with thiamine diphosphate and Mg(2+) as cofactors. AlsS also catalyzes the conversion of 2-ketoisovalerate into isobutyraldehyde, the immediate precursor of isobutanol. Our phylogenetic analysis suggests that the ALS enzyme family forms a distinct subgroup of ThDP-dependent enzymes. To unravel catalytically relevant structure-function relationships, we solved the AlsS crystal structure at 2.3 Å in the presence of ThDP, Mg(2+) and in a transition state with a 2-lactyl moiety bound to ThDP. We supplemented our structural data by point mutations in the active site to identify catalytically important residues. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Cutinisation of tomato fruit epidermis: Structural and morphological details

    PubMed Central

    Segado, Patricia; Domínguez, Eva; Heredia, Antonio

    2016-01-01

    ABSTRACT In tomato, the ovary is covered with a thin, electron-dense and uniform cuticle. The first 10 d after anthesis are critical in the cutinisation of the outer epidermal wall. During this period, singular cytoplasmic domains have been identified in the epidermal cells which seem to be involved in lipid biosynthesis. Moreover, the inner side of the procuticle showed a globular structure with vesicle-like particles of different size that seemed to migrate from the cytoplasm to the procuticle. These electron-dense particles are postulated to play an important role in early cutin synthesis. PMID:27031163

  6. 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.

  7. 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.

  8. A Detailed Study on the Low-Energy Structures of Charged Colloidal Clusters.

    PubMed

    Cruz, S M A; Marques, J M C

    2016-04-07

    The target of this investigation is the systematic characterization of the low-energy structures of charged colloidal clusters that may be important to understand the self-assembling process of biomolecules. The aggregation of charged colloidal particles is governed by the attractive short-ranged Morse potential and the Yukawa repulsive tail to describe the long-range charge effect. A global optimization strategy, based on our own evolutionary algorithm, was adopted to discover the low-energy structures of colloidal clusters composed of up to 20 particles. A detailed analysis of the low-energy structures involving charged particles shows that the appearance of the Bernal spiral as the most stable motif occurs, first, at N = 6, but it is favored for larger clusters (N ≥ 13); for 6 ≤ N ≤ 12, there is a competition between the spiral (which is favored for higher charges) and more spherical-like structures. Finally, we study binary clusters composed by two sets of differently charged colloidal particles. Although a great diversity of low-energy structures is observed (especially for aggregates with one of the components in excess), the global minimum is disputed by three structural motifs depending on the composition of the cluster and, in some cases, on the range of the Morse potential.

  9. Structural characterization of nitrimyoglobin.

    PubMed

    Bondoc, L L; Timkovich, R

    1989-04-15

    Nitrimyoglobin was formed in greater than 94% yield by a simple reaction between excess nitrite and horse heart metmyoglobin at pH 5.5. This dark green pigment was shown by 1H NMR spectroscopy to be a single, pure product with a well defined tertiary structure that is highly similar to the starting myoglobin. Electronic spin states parallel those of myoglobin, although the relaxation times differ. Ligand binding reactions of nitrimyoglobin parallel those of normal myoglobin, but lead to a unique series of UV-visible spectra. In the ferrous state, nitrimyoglobin reversibly binds O2 with half-saturation of sites at an O2 partial pressure of 10.4 +/- 1.4 mm Hg. 1H NMR data indicate that the altered heme of nitrimyoglobin has not undergone reaction at any meso proton position, nor has it been partially saturated to the level of a chlorin. 15N NMR spectra indicate that only a single nitrogen was added to the protein as a nitro group. Extraction of the modified heme from nitrimyoglobin and spectroscopic characterization of the nitriheme by infrared spectroscopy and of the free base porphyrin methyl ester derived from nitriheme by 1H NMR indicate that the modification is regiospecific. The heme in nitrimyoglobin is 3-(trans-2-nitrovinyl)-2,7,12,18-tetramethyl-8-vinylporphyrin-13,1 7-dipropionic acid. In the Fisher nomenclature scheme, the 2-vinyl substituent is the site of modification and has been converted to a nitrovinyl group by substitution of a proton by -NO2.

  10. Content, Structure, and Sequence of the Detailing Discipline at Kendall College of Art and Design.

    ERIC Educational Resources Information Center

    Mulder, Bruce E.

    A study identified the appropriate general content, structure, and sequence for a detailing discipline that promoted student achievement to professional levels. Its focus was the detailing discipline, a sequence of studio courses within the furniture design program at Kendall College of Art and Design, Grand Rapids, Michigan. (Detailing, an…

  11. 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

  12. 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

  13. 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.

  14. 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

  15. 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

  16. 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)

  17. 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)

  18. 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

  19. 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

  20. View south; interior structural detail at column A13 south bay ...

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

    View south; interior structural detail at column A13 south bay - Naval Base Philadelphia-Philadelphia Naval Shipyard, Foundry-Propeller Shop, North of Porter Avenue, west of Third Street West, Philadelphia, Philadelphia County, PA

  1. View northeast; interior structural detail Naval Base PhiladelphiaPhiladelphia Naval ...

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

    View northeast; interior structural detail - Naval Base Philadelphia-Philadelphia Naval Shipyard, Foundry-Propeller Shop, North of Porter Avenue, west of Third Street West, Philadelphia, Philadelphia County, PA

  2. Detailed physico-chemical characterization of microplastics from North Atlantic Gyre

    NASA Astrophysics Data System (ADS)

    ter Halle, A.; Ladirat, L.; Gendre, X.; Goudouneche, D.; Pusineri, C.; Routaboul, C.; Tenailleau, C.; Duployer, B.; Perez, E.

    2016-02-01

    More than 260 million tonnes of plastic are used each year. Based on population density and economic status of costal countries the mass of land based plastic waste entering the ocean was recently estimated between 4.8 to 12.7 million metric tons per year1. Most striking is the estimation for 2025 that this amount will increase by an order of magnitude if waste management infrastructures are not improved. Plastic debris is abundant and widespread in the marine habitat. Marine plastic pollution has been recently recognized as a global environmental threat2. There is still a need for detailed research in terms of estimating the global scale of plastic inputs, their fate in the environment as well as the biological responses to plastic exposure in a variety of marine organisms. In this context, the present study aimed at giving a detailed physico-chemical characterization of the microplastics collected at the surface of the North Atlantic accumulation zone. A detailed description of the plastics is given in terms of size, width, density and weight together with a microscopic and infrared spectroscopy characterization. In this study, also we introduce a new fragmentation mechanism of the microplastics based on the physico-chemical data collected. This approach will be helpful for oceanographic modelling. The results will be also very useful to better understand the biological response to the plastic in terms of transfer of chemical in case of ingestion or to better understand the formation and development of the plastisphere. 1 Jambeck, J. R.; Geyer, R.; Wilcox, C.; Siegler, T. R.; Perryman, M.; Andrady, A.; Narayan, R.; Lavender Law, K., Plastic waste inputs from land into the ocean 2 Moore, C. J., Synthetic polymers in the marine environment: A rapidly increasing, long-term threat. Environmental Research 2008, 108, (2), 131-139.

  3. 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.

  4. Detailed structural features of lipopolysaccharide glycoforms in nontypeable Haemophilus influenzae strain 2019.

    PubMed

    Engskog, Mikael K R; Deadman, Mary; Li, Jianjun; Hood, Derek W; Schweda, Elke K H

    2011-07-15

    We have investigated the structure of the lipopolysaccharide (LPS) of nontypeable Haemophilus influenzae (NTHi) strain 2019, a prototype strain that is used for studies of NTHi biology and disease. Analysis of LPS from wild type and lex2B, lpt3 and pgm mutant strains using NMR techniques and ESI-MS on O-deacylated LPS and core oligosaccharide material (OS), as well as ESI-MS(n) on permethylated dephosphorylated OS, confirmed the previously established structure in which lactose is linked to the proximal heptose (HepI) of the conserved triheptosyl inner-core moiety, l-α-D-Hepp-(1→2)-[PEtn→6]-l-α-D-Hepp-(1→3)-l-α-D-Hepp-(1→5)-[PPEtn→4]-α-Kdo-(2→6)-lipid A. Importantly, our data provide further structural detail whereby extensions from the middle heptose (HepII) are now characterized as β-D-Galp-(1→4)-β-D-Glcp-(1→4)-α-D-Glcp-(1→3 and truncated versions thereof. PEtn substitutes O-3 of the distal heptose (HepIII) of the inner-core moiety. This PEtn substituent was absent in the lpt3 mutant indicating that Lpt3 is the transferase required to add PEtn to the distal heptose. Interestingly, in the lex2B mutant strain HepIII was found to be substituted at O-2 by β-D-Glcp which, in turn, can be further extended. Contrary to previous findings, LPS of the pgm mutant strain contained minor glycoforms having β-D-Glcp linked to O-4 of HepI and also glycoforms with an additional PEtn which could be assigned to HepIII. Acetate groups and one glycine residue further substitute HepIII in NTHi 2019. Copyright © 2011 Elsevier Ltd. All rights reserved.

  5. Structural Characterization of Schladitz Whiskers.

    DTIC Science & Technology

    1982-05-01

    and Eicke, 9 ,14 Lashmore ,16 and Newkirk and Wilsdorf. 1 7 7 I The ultimate tensile strength (UTS) of polycrystalline steel whiskers has been reported...have * Private communication by D. S. Lashmore , L. J. Swartzendruber and L. H. Bennett. 17 a combined with Fe to Fe 3 C. It was calculated that 18 + 2...by Lashmore (1977), and Schladitz (1968) reported values approach- ing 8 GPa. The structural details described in the previous chapter do not fit into

  6. 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.

  7. 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

  8. Detailed Characterization and Profiles of Crankcase and Diesel Particulate Matter Exhaust Emissions Using Speciated Organics

    SciTech Connect

    Zielinska, B.; Campbell, D.; Lawson, D. R.; Ireson, R. G.; Weaver, C. S.; Hesterberg, T. W.; Larson, T.; Davey, M.; Sally Liu, L.-J.

    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 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 {micro}g/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.

  9. 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

  10. 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

  11. 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.

  12. A detailed characterization of the adult mouse model of glycogen storage disease Ia.

    PubMed

    Salganik, Susan V; Weinstein, David A; Shupe, Thomas D; Salganik, Max; Pintilie, Dana G; Petersen, Bryon E

    2009-09-01

    Glycogen storage disease type Ia (GSDIa) is caused by a genetic defect in the hepatic enzyme glucose-6-phosphatase (G6Pase-alpha), which manifests as life-threatening hypoglycemia with related metabolic complications. A G6Pase-alpha knockout (KO) mouse model was generated to study potential therapies for correcting this disorder. Since then, gene therapy studies have produced promising results, showing long-term improvement in liver histology and glycogen metabolism. Under existing protocols, however, untreated KO pups seldom survived weaning. Here, we present a thorough characterization of the G6Pase-alpha KO mouse, as well as the husbandry protocol for rearing this strain to adulthood. These mice were raised with only palliative care, and characterized from birth through 6 months of age. Once KO mice have survived the very frail weaning period, their size, agility, serum lipids and glycemic control improve dramatically, reaching levels approaching their wild-type littermates. In addition, our data reveal that adult mice lacking G6Pase-alpha are able to mate and produce viable offspring. However, liver histology and glycogen accumulation do not improve with age. Overall, the reliable production of mature KO mice could provide a critical tool for advancing the GSDIa field, as the availability of a robust enzyme-deficient adult offers a new spectrum of treatment avenues that would not be tolerated by the frail pups. Most importantly, our detailed characterization of the adult KO mouse provides a crucial baseline for accurately gauging the efficacy of experimental therapies in this important model.

  13. 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.

  14. Quantum chemical characterization of N-(2-hydroxybenzylidene)acetohydrazide (HBAH): a detailed vibrational and NLO analysis.

    PubMed

    Tamer, Ömer; Avcı, Davut; Atalay, Yusuf

    2014-01-03

    The molecular modeling of N-(2-hydroxybenzylidene)acetohydrazide (HBAH) was carried out using B3LYP, CAMB3LYP and PBE1PBE levels of density functional theory (DFT). The molecular structure of HBAH was solved by means of IR, NMR and UV-vis spectroscopies. In order to find the stable conformers, conformational analysis was performed based on B3LYP level. A detailed vibrational analysis was made on the basis of potential energy distribution (PED). HOMO and LUMO energies were calculated, and the obtained energies displayed that charge transfer occurs in HBAH. NLO analysis indicated that HBAH can be used as an effective NLO material. NBO analysis also proved that charge transfer, conjugative interactions and intramolecular hydrogen bonding interactions occur through HBAH. Additionally, major contributions from molecular orbitals to the electronic transitions were investigated theoretically. Copyright © 2013 Elsevier B.V. All rights reserved.

  15. Detailed molecular characterization of castor oil ethoxylates by liquid chromatography multistage mass spectrometry.

    PubMed

    Nasioudis, Andreas; van Velde, Jan W; Heeren, Ron M A; van den Brink, Oscar F

    2011-10-07

    The molecular characterization of castor oil ethoxylates (CASEOs) was studied by reverse-phase liquid chromatography (RPLC) mass spectrometry (MS) and multistage mass spectrometry (MS(n)). The developed RPLC method allowed the separation of the various CASEO components, and especially, the baseline separation of multiple nominal isobars (same nominal mass) and isomers (same exact mass). MS and MS(n) were used for the determination and structure elucidation of various structures and for the discrimination of the isobars and isomers. Different ionization techniques and adduct ions were also tested for optimization of the MS detection and the MS(n) fragmentation. A unique fragmentation pathway of ricinoleic acid is proposed, which can be used as a marker of the polymerization process and the topology of ethoxylation in the CASEO. In addition, characteristic neutral losses of ricinoleic acid reveal its (terminal or internal) position in the molecule.

  16. Section A, detail view at parking structure of column J4/12 ...

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

    Section A, detail view at parking structure of column J4/12 at level B2, looking southeast, showing smoke damage at drop panel. (BH) - World Trade Center Site, Bounded by Vesey, Church, Liberty Streets, & Route 9A, New York County, NY

  17. PLUG STORAGE BUILDING, TRA611. STRUCTURAL DETAILS. FACE PLATE. FOURTEEN OPENINGS ...

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

    PLUG STORAGE BUILDING, TRA-611. STRUCTURAL DETAILS. FACE PLATE. FOURTEEN OPENINGS LABELED FOR PLUGS FROM SPECIFIC SIZE GROUPS IN THE MTR. BLAW-KNOX 3150-811-2, 1/1951. INL INDEX NO. 531-0611-00-098-100694, REV. 1. - Idaho National Engineering Laboratory, Test Reactor Area, Materials & Engineering Test Reactors, Scoville, Butte County, ID

  18. 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

  19. 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

  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. 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

  2. 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

  3. 177. U.S. Route 70 grade separation structure. Detail of the ...

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

    177. U.S. Route 70 grade separation structure. Detail of the stone facing. Notice it is thicker at the base than at the top. Facing north-northeast. - Blue Ridge Parkway, Between Shenandoah National Park & Great Smoky Mountains, Asheville, Buncombe County, NC

  4. A&M. Outside turntable, TAN705. Structural plan and details. Ralph M. ...

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

    A&M. Outside turntable, TAN-705. Structural plan and details. Ralph M. Parsons 902-3-ANP-705-S-149. Date: January 1953. Approved by INEEL index code no. 034-0705-60-693-106793 - Idaho National Engineering Laboratory, Test Area North, Scoville, Butte County, ID

  5. A&M. TAN607. Storage pool vestibule wall. Sections and structural details. ...

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

    A&M. TAN-607. Storage pool vestibule wall. Sections and structural details. Ralph M. Parsons 902-3-ANP-607-S137. Date: December 1952. INEEL index code no. 034-0607-62-693-106781 - Idaho National Engineering Laboratory, Test Area North, Scoville, Butte County, ID

  6. Hangar no. 2 structural detail. Tool room/GSE between trusses no. ...

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

    Hangar no. 2 structural detail. Tool room/GSE between trusses no. 38 an no. 39. South side of room seen from window. Note footing for concrete piers and cross bracing. Looking 180 S. - Marine Corps Air Station Tustin, Southern Lighter Than Air Ship Hangar, Near intersection of Windmill Road & Johnson Street, Tustin, Orange County, CA

  7. Hangar no. 2 structural detail. Tool room/GSE between trusses no. ...

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

    Hangar no. 2 structural detail. Tool room/GSE between trusses no. 38 an no. 39. North side of room seen from door. Note footing for concrete piers and cross bracing. Looking 2 N. - Marine Corps Air Station Tustin, Southern Lighter Than Air Ship Hangar, Near intersection of Windmill Road & Johnson Street, Tustin, Orange County, CA

  8. 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

  9. Characterizing atherosclerotic plaque with computed tomography: a contrast-detail study

    NASA Astrophysics Data System (ADS)

    Kasraie, Nima; Clarke, Geoffrey D.

    2012-02-01

    Plaque characterization may benefit from the increasing distinctiveness of the attenuating properties of different soft plaque components at lower energies. Due to the relative slight increase in the CT number of the nonadipose soft plaque at lower tube voltage settings vs. adipose plaque, a higher contrast between atheromous adipose and non-adipose plaque may become visible with modern 64 slice systems. A contrast-detail (C-D) phantom with varying plaque composition as the contrast generating method, was imaged on a commercial 64 slice MDCT system using 80, 120, and 140 kVp settings. The same phantom was also imaged on a Cone Beam CT (CBCT) system with a lower tube voltage of 75 kVp. The results of experiments from four different observers on three different plaque types (lipid, fiber, calcific) indicate that CT attenuation within lipid cores and fibrous masses vary not only with the percentage of lipid or fiber present, but also with the size of the cores. Furthermore, the C-D curve analysis for all three plaque types reveals that while the noise constraints prevent visible differentiation of soft plaque at current conventional 64 slice MDCT settings, CBCT exhibits superior visible contrast detectability than its conventional counterpart, with the latter having appreciably better resolution limits and beneficial lower tube voltages. This low voltage CT technique has the potential to be useful in composition based diagnosis of carotid vulnerable atherosclerotic plaque.

  10. Application of an ESI-QTOF method for the detailed characterization of GSK-3β inhibitors.

    PubMed

    De Simone, Angela; Fiori, Jessica; Naldi, Marina; D'Urzo, Annalisa; Tumiatti, Vincenzo; Milelli, Andrea; Andrisano, Vincenza

    2017-02-27

    The crucial role of Glycogen Synthase Kinase 3 (GSK-3β) as a pivotal player in Alzheimer's Disease (AD) has recently inspired significant attempts to design and synthesize potent kinase inhibitors. In fact GSK-3β is considered the main kinase which catalyzes the microtubule-associated protein tau hyper-phosphorylation and the neurofibrillary tangles (NFT) in vitro and in vivo, The first classes of GSK-3β inhibitors were classified as ATP-competitive and, therefore, they lack of an efficient degree of selectivity over other kinases. In light of this consideration, many efforts are devoted to characterize new non ATP-competitive GSK-3β inhibitors, endowed with high selectivity. In parallel, there is an urgent need to develop new analytical methodologies for the hit selection (highthroughput screening) and ligand binding characterization in terms of potency, affinity and mechanism of action. The new methodology for GSK-3β enzymatic activity determination can be adopted as a realistic alternative to the currently used radioactive, luminescence and fluorescence detection methods, each showing limitations in terms of safety and interferences. Herein, we propose an alternative and selective electrospray ionization quadrupole time-of-flight (ESI-QTOF) method, based on the direct quantification of phosphorylated substrate muscle glycogen synthase GSM, a peptide resembling the high affinity sequence of natural substrate muscle glycogen synthase 1, for the detailed characterization of GSK-3β inhibitors. The method was validated in terms of accuracy and reproducibility of GSM signal intensity with a relative standard deviation RSD% value of 3.55%; Limit of Detection (LOD): 0.006μM; Lower Limit of Quantification (LLOQ): 0.02μM; linearity r(2) 0.9951. The kinetic constants (KM and vmax) of the GSK-3β catalyzed kinase reaction and the inhibitory potency of known ligands (IC50), were determined. All the obtained results were in agreement with those reported in literature

  11. 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

  12. In detail monazite characterization in a carbonatite weathering profile - a new tool for landscape geochronology

    NASA Astrophysics Data System (ADS)

    Renno, A. D.; Le Bras, L.; Ziegenrücker, R.; Couffignal, F.; Wiedenbeck, M.; Haser, S.; Hlawacek, G.

    2016-12-01

    The Post-Gondwana geology of South Africa is marked by two prominent planation surfaces, the result of two distinct phases of uplift and erosion. The first of these took place during the mid- to late Cretaceous (the so-called "African planation"), whilst the second is tentatively placed into the Miocene or Oligocene (the "Post-African I planation"). Humid and warm climatic conditions are recorded by deep lateritic weathering columns of suitable lithologies. The present study tests the suitability of U-Th-Pb dating on supergene monazite as a geochronometer for landscape formation and the downward progression of the chemical weathering process. We investigated material from the Zandkopsdrift carbonatite, Namaqualand, South Africa, a pipe-shaped intrusion located in the Northern Cape Province of South Africa. The age of carbonatite intrusion has been determined to be Eocene (54-56 Ma). This carbonatite has a well-developed lateritic cap that is more than 80 m thick in places and that is highly enriched in REE's hosted mostly by very fine crystalline monazite of presumably supergene origin. Due to the fact that the age of intrusion postdates the African planation surface, the lateritic cap almost certainly marks the Post-African I erosion surface. Both the onset and duration of the Post-African I cycle of erosion remain uncertain. This study addresses the duration of the Post-African I event through the dating of supergene monazite from the Zandkopsdrift laterite cap. A detailed description of the petrographic and mineralogical properties has identified the most promising samples for dating using secondary ion mass spectrometry (SIMS). A detailed description of the internal structure, microporosity and inclusions as well as intergrowths and pseudomorphic mineral formations has helped greatly toward understand the origins of the Zandkopsdrift sequence and the genesis of the REE within this profile. These data establish important anchor points for the reconstruction of

  13. 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.

  14. Detailed hydrodynamic characterization of harmonically excited falling-film flows: A combined experimental and computational study

    NASA Astrophysics Data System (ADS)

    Charogiannis, Alexandros; Denner, Fabian; van Wachem, Berend G. M.; Kalliadasis, Serafim; Markides, Christos N.

    2017-01-01

    We present results from the simultaneous application of planar laser-induced fluorescence (PLIF), particle image velocimetry (PIV) and particle tracking velocimetry (PTV), complemented by direct numerical simulations, aimed at the detailed hydrodynamic characterization of harmonically excited liquid-film flows falling under the action of gravity. The experimental campaign comprises four different aqueous-glycerol solutions corresponding to four Kapitza numbers (Ka=14 , 85, 350, 1800), spanning the Reynolds number range Re=2.3 -320 , and with forcing frequencies fw=7 and 10 Hz . PLIF was employed to generate spatiotemporally resolved film-height measurements, and PIV and PTV to generate two-dimensional velocity-vector maps of the flow field underneath the wavy film interface. The latter allows for instantaneous, highly localized velocity-profile, bulk-velocity, and flow-rate data to be retrieved, based on which the effect of local film topology on the flow field underneath the waves is studied in detail. Temporal sequences of instantaneous and local film height and bulk velocity are generated and combined into bulk flow-rate time series. The time-mean flow rates are then decomposed into steady and unsteady components, the former represented by the product of the mean film height and mean bulk velocity and the latter by the covariance of the film-height and bulk-velocity fluctuations. The steady terms are found to vary linearly with the flow Re, with the best-fit gradients approximated closely by the kinematic viscosities of the three examined liquids. The unsteady terms, typically amounting to 5 %-10 % of the mean and peaking at approximately 20 % , are found to scale linearly with the film-height variance. And, interestingly, the instantaneous flow rate is found to vary linearly with the instantaneous film height. Both experimental and numerical flow-rate data are closely approximated by a simple analytical relationship with only minor deviations. This relationship

  15. 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)

  16. Characterization of reach velocity and detailed geometry in well-vegetated, high-gradient streams

    NASA Astrophysics Data System (ADS)

    Yochum, S. E.; Bledsoe, B. P.; David, G. C.; Wohl, E. E.

    2008-12-01

    We developed field procedures for relating complex spatial patterns in channel geometry and roughness elements to flow resistance of mountain streams. High gradient, forested stream reaches in the U.S. Forest Service's Fraser Experimental Forest, of Colorado, were characterized using Rhodamine WT dye tracing for average reach velocity and LiDAR scans for reach geometry. The dye tracing technique consists of an injection of 20 percent rhodamine WT dye solution, with concentrations measured every second at the upstream and downstream limits of the reach using two Turner Designs Cyclops 7 fluorometers linked with two Campbell Scientific CR10X dataloggers and a calibration relating voltage output with concentration. Reach-averaged velocity was computed with the thalweg distance and both the time between peaks and the time between center of mass of the tracer pulse. Geometric data for points above the low flow water level were collected using a tripod-mounted Leica HDS LiDAR scanner. Reaches were scanned from multiple directions to minimize shadow. Targets were set up over at least two control points, for each scan, to register the scan into a consistent coordinate system. The LiDAR scans were combined with detailed total station surveys of features below the water surface. With the joining of multiple data sources, proper survey control was essential for data compatibility. The LiDAR and total station bed surveys were merged into a common pointcloud and the resulting data were cleaned to improve clarity. From this merged and cleaned pointcloud, a wide variety of geometric characteristics can be measured in the office, as the need arises. Specific characteristics will support such analyses as the determination of reach section hydraulic variables, and the use of spatial-statistical, tracer skewness and bank/bed form as indicators of roughness.

  17. EM-Fold: De novo atomic-detail protein structure determination from medium resolution density maps

    PubMed Central

    Lindert, Steffen; Alexander, Nathan; Wötzel, Nils; Karakaş, Mert; Stewart, Phoebe L.; Meiler, Jens

    2012-01-01

    Electron density maps of membrane proteins or large macromolecular complexes are frequently only determined at medium resolution between 4 Å and 10 Å, either by cryo-electron microscopy (cryoEM) or X-ray crystallography. In these density maps the general arrangement of secondary structure elements is revealed while their directionality and connectivity remain elusive. We demonstrate that the topology of proteins with up to 250 amino acids can be determined from such density maps when combined with a computational protein folding protocol. Furthermore, we accurately reconstruct atomic detail in loop regions and amino acid side chains not visible in the experimental data. The EM-Fold algorithm assembles the secondary structure elements de novo before atomic detail is added using Rosetta. In a benchmark of 27 proteins the protocol consistently and reproducibly achieves models with RMSD values smaller than 3 Å. PMID:22405005

  18. 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.

  19. Peering into the heart of galactic star formation: A detailed characterization of infrared-dark clouds

    NASA Astrophysics Data System (ADS)

    Ragan, Sarah E.

    2009-09-01

    study of sub- structure in particular shows that IRDCs are undergoing fragmentation and are the precursors to star clusters, and thus we have placed IRDCs in context with Galactic star formation. The characterization presented here offers new constraints on theories of molecular cloud fragmentation and clustered star formation.

  20. 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

  1. PROCESS WATER BUILDING, TRA605. FIRST FLOOR PLAN WITH STRUCTURAL DETAILS. ...

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

    PROCESS WATER BUILDING, TRA-605. FIRST FLOOR PLAN WITH STRUCTURAL DETAILS. FLOOR SLABS AND HATCHES. SHOWER/LOCKER ROOM. STAIRWAYS. TWENTY-INCH-THICK WALL DIVIDES SUMP AND SEAL TANK CHAMBERS FROM REST OF FLOOR. BLAW-KNOX 3150-805-3, 1/1951. INL INDEX NO. 531-0605-62-098-100659, REV. 1. - Idaho National Engineering Laboratory, Test Reactor Area, Materials & Engineering Test Reactors, Scoville, Butte County, ID

  2. 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

  3. 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

  4. 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.

  5. NMR crystallography of enzyme active sites: probing chemically detailed, three-dimensional structure in tryptophan synthase.

    PubMed

    Mueller, Leonard J; Dunn, Michael F

    2013-09-17

    NMR crystallography--the synergistic combination of X-ray diffraction, solid-state NMR spectroscopy, and computational chemistry--offers unprecedented insight into three-dimensional, chemically detailed structure. Initially, researchers used NMR crystallography to refine diffraction data from organic and inorganic solids. Now we are applying this technique to explore active sites in biomolecules, where it reveals chemically rich detail concerning the interactions between enzyme site residues and the reacting substrate. Researchers cannot achieve this level of detail from X-ray, NMR,or computational methodologies in isolation. For example, typical X-ray crystal structures (1.5-2.5 Å resolution) of enzyme-bound intermediates identify possible hydrogen-bonding interactions between site residues and substrate but do not directly identify the protonation states. Solid-state NMR can provide chemical shifts for selected atoms of enzyme-substrate complexes, but without a larger structural framework in which to interpret them only empirical correlations with local chemical structure are possible. Ab initio calculations and molecular mechanics can build models for enzymatic processes, but they rely on researcher-specified chemical details. Together, however, X-ray diffraction, solid-state NMR spectroscopy, and computational chemistry can provide consistent and testable models for structure and function of enzyme active sites: X-ray crystallography provides a coarse framework upon which scientists can develop models of the active site using computational chemistry; they can then distinguish these models by comparing calculated NMR chemical shifts with the results of solid-state NMR spectroscopy experiments. Conceptually, each technique is a puzzle piece offering a generous view of the big picture. Only when correctly pieced together, however, can they reveal the big picture at the highest possible resolution. In this Account, we detail our first steps in the development of

  6. 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

  7. 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

  8. Seismic retroftting of RC columns with RC jackets and wing walls with different structural details

    NASA Astrophysics Data System (ADS)

    Chang, Shuenn-Yih; Chen, Ting-Wei; Tran, Ngoc-Cuong; Liao, Wen-I.

    2014-06-01

    An original reinforced concrete (RC) column and four strengthened specimens, two with RC jackets and two with wing walls, were tested in this study. The original column specimen was designed to comply with older (pre-1999) design standards so that the usual detailing deficiencies in existing school buildings in Taiwan could be simulated. Two different structural details were chosen to fabricate the full-scale specimens for each retrofitting technique. The study confirmed that either RC jacketing or the installation of wing walls with two different structural details can effectively improve the stiffness and strength of an existing column. RC jacketing shows a better improvement in energy dissipation and ductility when compared to the columns with wing walls installed. This is because the two RC jacketed columns experienced a flexural failure, while a shear failure was found in the two columns with the wing walls installed, and thus led to a drastic decrease of the maximum lateral strengths and ductility. Since many factors may affect the installation of a post-installed anchor, it is better to use standard hooks to replace post-installed anchors in some specific points when using RC jacketing or installing wing walls.

  9. Imaging the internal structure of fluid upflow zones with detailed digital Parasound echosounder surveys

    NASA Astrophysics Data System (ADS)

    Spiess, V.; Zuehlsdorff, L.; von Lom-Keil, H.; Schwenk, T.

    2001-12-01

    Sites of venting fluids both with continuous and episodic supply often reveal complex surface and internal structures, which are difficult to image and cause problems to transfer results from local sampling towards a structural reconstruction and a quantification of (average) flux rates. Detailed acoustic and seismic surveys would be required to retrieve this information, but also an appropriate environment, where fluid migration can be properly imaged from contrasts to unaffected areas. Hemipelagic sediments are most suitable, since typically reflectors are coherent and of low lateral amplitude variation and structures are continuous over distances much longer than the scale of fluid migration features. During RV Meteor Cruise M473 and RV Sonne Cruise SO 149 detailed studies were carried out in the vicinity of potential fluid upflow zones in the Lower Congo Basin at 5oS in 3000 m water depth and at the Northern Cascadia Margin in 1000 m water depth. Unexpected sampling of massive gas hydrates from the sea floor as well as of carbonate concretions, shell fragments and different liveforms indicated active fluid venting in a typically hemipelagic realm. The acoustic signature of such zones includes columnar blanking, pockmark depressions at the sea floor, association with small offset faults (< 1m). A dedicated survey with closely spaced grid lines was carried out with the Parasound sediment echosounder (4 kHz), which data were digitally acquired with the ParaDigMA System for further processing and display, to image the spatial structure of the upflow zones. Due to the high data density amplitudes and other acoustic properties could be investigated in a 3D volume and time slices as well as reflector surfaces were analyzed. Pronounced lateral variations of reflection amplitudes within a complex pattern indicate potential pathways for fluid/gas migration and occurrences of near-surface gas hydrate deposits, which may be used to trace detailed surface evidence from side

  10. Structural flyby characterization of nanoporosity

    NASA Astrophysics Data System (ADS)

    Rosa, R. R.; Ferreira da Silva, A.; Brito, R. C.; Roman, L. S.; Baroni, M. P. M. A.; Ramos, F. M.; Ahuja, R.; Persson, C.

    2004-08-01

    Recently, Ferreira da Silva et al. [3] have performed a gradient pattern analysis of a canonical sample set (CSS) of scanning force microscopy (SFM) images of p-Si. They applied the so-called Gradient Pattern Analysis to images of three typical p-Si samples distinguished by different absorption energy levels and aspect ratios. Taking into account the measures of spatial asymmetric fluctuations they interpreted the global porosity not only in terms of the amount of roughness, but rather in terms of the structural complexity (e.g., walls and fine structures as slots). This analysis has been adapted in order to operate in a OpenGL flyby environment (the StrFB code), whose application give the numerical characterization of the structure during the flyby real time. Using this analysis we compare the levels of asymmetric fragmentation of active porosity related to different materials as p-Si and "porous diamond-like" carbon. In summary we have shown that the gradient pattern analysis technique in a flyby environment is a reliable sensitive method to investigate, qualitatively and quantitatively, the complex morphology of active nanostructures.

  11. Three-dimensional surface models of detailed lumbosacral structures reconstructed from the Visible Korean.

    PubMed

    Shin, Dong Sun; Chung, Min Suk; Park, Jin Seo; Park, Hyung Seon; Lee, Seung-Bock; Lee, Sang-Ho; Choi, Ho-Nam; Riemer, Martin; Handels, Heinz; Lee, Jong Eun; Jung, Wonsug

    2011-02-20

    Unlike volume models, surface models representing hollow, three-dimensional images have a small file size; allowing them to be displayed, rotated, and modified in real time. Therefore, surface models of lumbosacral structures can be effectively used for interactive simulation of, e.g., virtual lumbar puncture, virtual surgery of herniated lumbar discs, and virtual epidural anesthesia. In this paper, we present surface models of extensive lumbosacral structures which can be used in medical simulation systems. One-hundred and thirty-eight chosen structures included the spinal cord, lumbar and sacral nerves, vertebrae, intervertebral discs, ligaments, muscles, arteries, and skin. The structures were outlined in the sectioned images from the Visible Korean. From these outlined images, serial outlines of each structure were stacked. Adopting commercial software (3D-DOCTOR, Maya), an advanced surface reconstruction technique was applied to create a surface model of the structure. In the surface models, we observed the anatomical relationships of the lumbosacral structures (e.g., cauda equina and ligaments) in detail. Additionally, the portions of some spinal nerves that could not be outlined were drawn and added to the surface models. These constructed models will hopefully facilitate development of high quality medical simulation of the lumbosacral region. Copyright © 2010 Elsevier GmbH. All rights reserved.

  12. Formulation of probabilistic models of protein structure in atomic detail using the reference ratio method.

    PubMed

    Valentin, Jan B; Andreetta, Christian; Boomsma, Wouter; Bottaro, Sandro; Ferkinghoff-Borg, Jesper; Frellsen, Jes; Mardia, Kanti V; Tian, Pengfei; Hamelryck, Thomas

    2014-02-01

    We propose a method to formulate probabilistic models of protein structure in atomic detail, for a given amino acid sequence, based on Bayesian principles, while retaining a close link to physics. We start from two previously developed probabilistic models of protein structure on a local length scale, which concern the dihedral angles in main chain and side chains, respectively. Conceptually, this constitutes a probabilistic and continuous alternative to the use of discrete fragment and rotamer libraries. The local model is combined with a nonlocal model that involves a small number of energy terms according to a physical force field, and some information on the overall secondary structure content. In this initial study we focus on the formulation of the joint model and the evaluation of the use of an energy vector as a descriptor of a protein's nonlocal structure; hence, we derive the parameters of the nonlocal model from the native structure without loss of generality. The local and nonlocal models are combined using the reference ratio method, which is a well-justified probabilistic construction. For evaluation, we use the resulting joint models to predict the structure of four proteins. The results indicate that the proposed method and the probabilistic models show considerable promise for probabilistic protein structure prediction and related applications. Copyright © 2013 Wiley Periodicals, Inc.

  13. 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.

  14. The E-ELT project: the telescope main structure detailed design study

    NASA Astrophysics Data System (ADS)

    Marchiori, Gianpietro; Busatta, Andrea; Ghedin, Leonardo; De Lorenzi, Simone

    2012-09-01

    The European Extremely Large Telescope (E-ELT) is the biggest telescope in the world. Within the Detailed Design activities, ESO has awarded EIE GROUP (European Industrial Engineering) a contract for the Design of the Main Structure to the point where the concept of the telescope has been consolidated, from a construction point of view. All the Design activities have been developed in order to create an integrated system in terms of functionality and performance, while the engineering activities have been performed with the aim of obtaining a telescope that can be built, transported, integrated, with a reduced maintainability.

  15. A detailed Raman and X-ray study of UO2+x oxides and related structure transitions.

    PubMed

    Elorrieta, J M; Bonales, L J; Rodríguez-Villagra, N; Baonza, V G; Cobos, J

    2016-10-12

    This work presents a detailed study of hyperstoichiometric UO2+x (0 < x < 0.25) oxides and an assessment of the structural evolution taking place as oxidation proceeds. For this purpose, different UO2+x powder samples with controlled degree of non-stoichiometry have been identified by thermogravimetric analysis and characterized by X-ray diffraction (XRD) and Raman spectroscopy. XRD analysis reflects that the commonly assumed Vegard's law is not applicable over the whole hyperstoichiometry range, since a slight increase of the lattice constant is observed for 0.13 < x < 0.20. A quantitative Raman analysis of the UO2+x spectra as a function of the oxidation degree is also shown. A new method to characterize any UO2+x sample (for x < 0.20), based on the shift of the 630 cm(-1) band observed in the Raman spectrum, is proposed here for the first time. Moreover, three structure transitions have been detected at x = 0.05, 0.11 and 0.20, giving rise to four distinct regions associated with consecutive structural rearrangements over the hyperstoichiometry range: x < 0.05, 0.05 < x < 0.11, 0.11 < x < 0.20 and 0.20 < x < 0.25.

  16. 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

  17. High-resolution crystal structure reveals molecular details of target recognition by bacitracin

    PubMed Central

    Economou, Nicoleta J.; Cocklin, Simon; Loll, Patrick J.

    2013-01-01

    Bacitracin is a metalloantibiotic agent that is widely used as a medicine and feed additive. It interferes with bacterial cell-wall biosynthesis by binding undecaprenyl-pyrophosphate, a lipid carrier that serves as a critical intermediate in cell wall production. Despite bacitracin’s broad use, the molecular details of its target recognition have not been elucidated. Here we report a crystal structure for the ternary complex of bacitracin A, zinc, and a geranyl-pyrophosphate ligand at a resolution of 1.1 Å. The antibiotic forms a compact structure that completely envelopes the ligand’s pyrophosphate group, together with flanking zinc and sodium ions. The complex adopts a highly amphipathic conformation that offers clues to antibiotic function in the context of bacterial membranes. Bacitracin’s efficient sequestration of its target represents a previously unseen mode for the recognition of lipid pyrophosphates, and suggests new directions for the design of next-generation antimicrobial agents. PMID:23940351

  18. 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.

  19. On characterization of anisotropic plant protein structures.

    PubMed

    Krintiras, Georgios A; Göbel, Jesse; Bouwman, Wim G; van der Goot, Atze Jan; Stefanidis, Georgios D

    2014-12-01

    In this paper, a set of complementary techniques was used to characterize surface and bulk structures of an anisotropic Soy Protein Isolate (SPI)-vital wheat gluten blend after it was subjected to heat and simple shear flow in a Couette Cell. The structured biopolymer blend can form a basis for a meat replacer. Light microscopy and scanning electron microscopy provided a detailed view of structure formation over the visible surfaces of the SPI-gluten blend. Protein orientation in the direction of the flow was evident and fibrous formation appeared to exist on the macro- and micro-scale. Furthermore, according to texture analysis, the structured biopolymer obtained from the Couette Cell after processing at 95 °C and 30 RPM for 15 min has high tensile stress and strain anisotropy indices (∼2 and ∼1.8, respectively), comparable to those of raw meat (beef). The novel element in this work is the use of the neutron refraction method, utilizing spin-echo small angle neutron scattering (SESANS), to provide a look inside the anisotropic biopolymer blend complementing the characterization provided by the standard techniques above. With SESANS, it is possible to quantify the number of fibre layers and the orientation distribution of fibres. For a specimen thickness of 5 mm, the obtained number of fibre layers was 36 ± 4 and the standard deviation of the orientation distribution was 0.66 ± 0.04 radians. The calculated thickness of one layer of fibres was 138 μm, in line with SEM inspection.

  20. Congruent Strategies for Carbohydrate Sequencing. 1. Mining Structural Details by MSn

    PubMed Central

    Ashline, David; Singh, Suddham; Hanneman, Andy; Reinhold, Vernon

    2005-01-01

    This report is the first in a series of three focused on establishing congruent strategies for carbohydrate sequencing. The reports are divided into (i) analytical considerations that account for all aspects of small oligomer structure by MSn disassembly, (ii) database support using an ion fragment library and associated tools for highthroughput analysis, and (iii) a concluding algorithm for defining oligosaccharide topology from MSn disassembly pathways. The analytical contribution of this first report explores the limits of structural detail exposed by ion trap mass spectrometry with samples prepared as methyl derivatives and analyzed as metal ion adducts. This data mining effort focuses on correlating the fragments of small oligomers to stereospecific glycan structures, an outcome attributed to a combination of metal ion adduction and analyte conformation. Facile glycosidic cleavage introduces a point of lability (pyranosyl-1-ene) that upon collisional activation initiates subsequent ring fragmentation. Product masses and ion intensities vary with interresidue linkage, branching position, and monomer stereochemistry. Excessive fragmentation is the property of small oligomers where collisional energy within a smaller number of oscillators dissipates through extensive fragmentation. The procedures discussed in this report are unified into a singular strategy using an ion trap mass spectrometer with the sensitivity expected for electron multiplier detection. Although a small set of structures have been discussed, the basic principles considered are fully congruent, with ample opportunities for expansion. PMID:16194086

  1. Damping characterization in large structures

    NASA Technical Reports Server (NTRS)

    Eke, Fidelis O.; Eke, Estelle M.

    1991-01-01

    This research project has as its main goal the development of methods for selecting the damping characteristics of components of a large structure or multibody system, in such a way as to produce some desired system damping characteristics. The main need for such an analytical device is in the simulation of the dynamics of multibody systems consisting, at least partially, of flexible components. The reason for this need is that all existing simulation codes for multibody systems require component-by-component characterization of complex systems, whereas requirements (including damping) often appear at the overall system level. The main goal was met in large part by the development of a method that will in fact synthesize component damping matrices from a given system damping matrix. The restrictions to the method are that the desired system damping matrix must be diagonal (which is almost always the case) and that interbody connections must be by simple hinges. In addition to the technical outcome, this project contributed positively to the educational and research infrastructure of Tuskegee University - a Historically Black Institution.

  2. Crystal Structures of a Poplar Xyloglucan Endotransglycosylase Reveal Details of Transglycosylation Acceptor Binding

    PubMed Central

    Johansson, Patrik; Brumer, Harry; Baumann, Martin J.; Kallas, Åsa M.; Henriksson, Hongbin; Denman, Stuart E.; Teeri, Tuula T.; Jones, T. Alwyn

    2004-01-01

    Xyloglucan endotransglycosylases (XETs) cleave and religate xyloglucan polymers in plant cell walls via a transglycosylation mechanism. Thus, XET is a key enzyme in all plant processes that require cell wall remodeling. To provide a basis for detailed structure–function studies, the crystal structure of Populus tremula x tremuloides XET16A (PttXET16A), heterologously expressed in Pichia pastoris, has been determined at 1.8-Å resolution. Even though the overall structure of PttXET16A is a curved β-sandwich similar to other enzymes in the glycoside hydrolase family GH16, parts of its substrate binding cleft are more reminiscent of the distantly related family GH7. In addition, XET has a C-terminal extension that packs against the conserved core, providing an additional β-strand and a short α-helix. The structure of XET in complex with a xyloglucan nonasaccharide, XLLG, reveals a very favorable acceptor binding site, which is a necessary but not sufficient prerequisite for transglycosylation. Biochemical data imply that the enzyme requires sugar residues in both acceptor and donor sites to properly orient the glycosidic bond relative to the catalytic residues. PMID:15020748

  3. 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.

  4. 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

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

    PubMed

    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

    2012-11-06

    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.

  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 characterization of a highly Yb-doped double-clad fiber

    NASA Astrophysics Data System (ADS)

    Vallés, J. A.; Berdejo, V.; Martín, J. C.; Cases, R.; Álvarez, J. M.; Rebolledo, M. Á.

    2016-12-01

    A characterization method based on the careful measurement of the characteristic parameters and fluorescence emission spectra of a highly Yb-doped double-clad fiber is presented. The method is successfully checked by numerically fitting experimental results of a ring laser based on highly doped double-clad Yb-doped silica fibers with different dopant concentrations, fiber lengths and ring-laser output-coupler rates.

  8. Characterizing liability for cranial nerve injuries: a detailed analysis of 209 malpractice trials.

    PubMed

    Svider, Peter F; Sunaryo, Peter L; Keeley, Brieze R; Kovalerchik, Olga; Mauro, Andrew C; Eloy, Jean Anderson

    2013-05-01

    The potential for adverse events with lasting functional effects makes cranial nerve (CN) injury a target for litigation. Our objective was to comprehensively examine records of malpractice trials and detail issues influencing outcomes. Retrospective analysis. The Westlaw database (Thomson Reuters, New York, NY) was searched for jury verdict reports related to medical malpractice and CN injury. After excluding nonrelevant cases, we examined 209 trials for characteristics including nerve(s) injured, alleged causes of malpractice, demographic information, specialty, and outcome. The most commonly litigated CNs were VII (24.4%) and II (19.6%). Sixty-nine (33.0%) trials resulted in damages awarded. Outcomes varied, ranging from a 29.2% plaintiff success rate for CN XI injury to 48.4% for CN II injury. Plaintiffs had less success with increasing age. Average damages awarded were $1.7 million. The most commonly named defendants were otolaryngologists and general surgeons. Individual considerations varied but commonly included alleged deficits in informed consent (25.4%), unnecessary procedures (14.8%), undergoing additional surgery (25.8%), and untimely recognition of complications (23.9%). Malpractice trials were resolved in the defendant's favor the majority of the time. In cases where plaintiffs were successful, however, awards were considerable, averaging nearly $2 million. Factors influencing case outcome included age, location, perceived deficits in informed consent, allegedly unnecessary surgery, requiring additional surgery to repair a complication, and untimely recognition of complications. Although specific factors should be taken into consideration with each procedure, providing detailed informed consent and communicating with patients regarding expectations may minimize liability. Copyright © 2013 The American Laryngological, Rhinological and Otological Society, Inc.

  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. Copyright © 2014 Elsevier B.V. All rights reserved.

  10. 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.

  11. Hydrodynamic Characterization of Harmonically Excited Falling-Films: A Detailed Experimental and Computational Study

    NASA Astrophysics Data System (ADS)

    Charogiannis, Alexandros; Denner, Fabian; van Wachem, Berend; Pradas, Marc; Kalliadasis, Serafim; Markides, Christos

    2016-11-01

    We investigate the hydrodynamic characteristics of harmonically excited liquid-films flowing down a 20circ; incline by simultaneous application of Particle Tracking Velocimetry and Planar Laser-Induced Fluorescence (PLIF) imaging, complemented by Direct Numerical Simulations. By simultaneously implementing the above two optical techniques, instantaneous and highly localised flow-rate data were also retrieved, based on which the effect of local film topology on the flow-field underneath the wavy interface is studied in detail. Our main result is that the instantaneous flow rate varies linearly with the instantaneous film-height, as confirmed by both experiments and simulations. Furthermore, both experimental and numerical flow-rate data are closely approximated by a simple analytical relationship, which is reported here for the first time, with only minor deviations. This relationship includes the wave speed c and mean flow-rate Q , both of which can be obtained by simple and inexpensive measurement techniques, thus allowing for spatiotemporally resolved flow-rate predictions to be made without requiring any knowledge of the full flow-field from below the wavy interface.

  12. Beyond Flood Hazard Maps: Detailed Flood Characterization with Remote Sensing, GIS and 2d Modelling

    NASA Astrophysics Data System (ADS)

    Santillan, J. R.; Marqueso, J. T.; Makinano-Santillan, M.; Serviano, J. L.

    2016-09-01

    Flooding is considered to be one of the most destructive among many natural disasters such that understanding floods and assessing the risks associated to it are becoming more important nowadays. In the Philippines, Remote Sensing (RS) and Geographic Information System (GIS) are two main technologies used in the nationwide modelling and mapping of flood hazards. Although the currently available high resolution flood hazard maps have become very valuable, their use for flood preparedness and mitigation can be maximized by enhancing the layers of information these maps portrays. In this paper, we present an approach based on RS, GIS and two-dimensional (2D) flood modelling to generate new flood layers (in addition to the usual flood depths and hazard layers) that are also very useful in flood disaster management such as flood arrival times, flood velocities, flood duration, flood recession times, and the percentage within a given flood event period a particular location is inundated. The availability of these new layers of flood information are crucial for better decision making before, during, and after occurrence of a flood disaster. The generation of these new flood characteristic layers is illustrated using the Cabadbaran River Basin in Mindanao, Philippines as case study area. It is envisioned that these detailed maps can be considered as additional inputs in flood disaster risk reduction and management in the Philippines.

  13. 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

  14. 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.

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

    PubMed

    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.

  16. A new Monte Carlo method for investigating geometrical structures of lipid membranes with atomistic detail

    NASA Astrophysics Data System (ADS)

    Cheng, Sara; Qiu, Liming; Cheng, K.; Vaughn, Mark

    2011-10-01

    The distribution statistics of the surface area, volume and voids of lipid molecules are important parameters to characterize the structures of self-assembling lipid membranes. Traditional methods are mostly based on various assumptions of the thickness of the lipid membrane and the volumes of certain types of lipid molecules. However, those methods usually lead to an over- or underestimation of the average surface area of lipid molecules when compared to the experimental results of the pure lipid systems. We developed a new Monte Carlo method that is able to estimate the distributions and averages of surface area, volume and void space of the lipid molecules in the absence and presence of proteins of the MD simulation results of lipid membranes at the atomistic scale. We successfully validated our new method on an ordered hard-sphere system and on a phospholipid/cholesterol binary lipid system, all with known structural parameters. Using this new method, the structural perturbation of the conformal annular lipids in close proximity to the embedded protein in a lipid/protein system will also be presented.

  17. 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.

  18. Characterization and Detailed Analysis of Regression Behavior for HTPB Solid Fuels Containing High Aluminum Loadings

    NASA Technical Reports Server (NTRS)

    Kibbey, Timothy P.; Cortopassi, Andrew C.; Boyer, Eric C.

    2017-01-01

    NASA Marshall Space Flight Center's Materials and Processes Department, with support from the Propulsion Systems Department, has renewed the development and maintenance of a hybrid test bed for exposing ablative thermal protection materials to an environment similar to that seen in solid rocket motors (SRM). The Solid Fuel Torch (SFT), operated during the Space Shuttle program, utilized gaseous oxygen for oxidizer and an aluminized hydroxyl-terminated polybutadiene (HTPB) fuel grain to expose a converging section of phenolic material to a 400 psi, 2-phase flow combustion environment. The configuration allows for up to a 2 foot long, 5 inch diameter fuel grain cartridge. Wanting to now test rubber insulation materials with a turn-back feature to mimic the geometry of an aft dome being impinged by alumina particles, the throat area has now been increased by several times to afford flow similarity. Combined with the desire to maintain a higher operating pressure, the oxidizer flow rate is being increased by a factor of 10. Out of these changes has arisen the need to characterize the fuel/oxidizer combination in a higher mass flux condition than has been previously tested at MSFC, and at which the literature has little to no reporting as well. For (especially) metalized fuels, hybrid references have pointed out possible dependence of fuel regression rate on a number of variables: mass flux, G - oxidizer only (G0), or - total mass flux (Gtot), Length, L, Pressure, P, and Diameter, D.

  19. 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

  20. 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

  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. 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.

  4. 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.

  5. STScI-PRC95-30 HUBBLE SEES DETAILED NEW STRUCTURES IN THREE RADIO GALAXIES

    NASA Technical Reports Server (NTRS)

    2002-01-01

    These Hubble Space Telescope images, combined with radio maps produced by the Very Large Array Radio Interferometer (blue contour lines), show surprisingly varied and intricate structures of gas and stars that suggest the mechanisms powering radio galaxies are more complex than thought previously. The bizarre, never before seen detail may be a combination of light from massive star forming regions, small satellite dwarf galaxies, and bow shocks caused by jets of hot gas blasted out of the galaxies' cores by suspected black holes. [LEFT] - 3C265. Hubble resolves numerous bright star clusters or dwarf 'satellite' galaxies surrounding a bright central compact structure. The line corresponds to the axis of the galaxy's radio emissions, which unlike other radio galaxies, is in a different direction from the optical region. The star forming regions might result from a collision between galaxies. The jet that produces the radio emissions might have further intensified star formation. [CENTER] - 3C324. A number of small interacting components are distributed roughly along the radio axis in this source. Comparison of the Hubble image with that from the United Kingdom Infrared Telescope suggests that the central regions of this galaxy are obscured by a large dust lane. [RIGHT] - 3C368. One of the best studied radio galaxies, this image is composed of a very smooth cigar-shaped emission region closely aligned with the radio axis, upon which is superimposed a string of bright knots that might be stars or dust. This suggests that a jet of high speed gas, presumably ejected from a black hole at the core of the galaxy, might be triggering star formation along its path. Credit: M. Longair (Cambridge University, England), NASA, and NRAO

  6. 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.

  7. Atomically detailed folding simulation of the B domain of staphylococcal protein A from random structures

    PubMed Central

    Vila, Jorge A.; Ripoll, Daniel R.; Scheraga, Harold A.

    2003-01-01

    The conformational space of the 10–55 fragment of the B-domain of staphylococcal protein A has been investigated by using the electrostatically driven Monte Carlo (EDMC) method. The ECEPP/3 (empirical conformational energy program for peptides) force-field plus two different continuum solvation models, namely SRFOPT (Solvent Radii Fixed with atomic solvation parameters OPTimized) and OONS (Ooi, Oobatake, Némethy, and Scheraga solvation model), were used to describe the conformational energy of the chain. After an exhaustive search, starting from two different random conformations, three of four runs led to native-like conformations. Boltzmann-averaged root-mean-square deviations (RMSD) for all of the backbone heavy atoms with respect to the native structure of 3.35 Å and 4.54 Å were obtained with SRFOPT and OONS, respectively. These results show that the protein-folding problem can be solved at the atomic detail level by an ab initio procedure, starting from random conformations, with no knowledge except the amino acid sequence. To our knowledge, the results reported here correspond to the largest protein ever folded from a random conformation by an initial-value formulation with a full atomic potential, without resort to knowledge-based information. PMID:14638943

  8. The Detailed Vertical Structure of Pluto's Atmosphere from the 12 Jun 2006 Stellar Occultation.

    NASA Astrophysics Data System (ADS)

    Young, Eliot F.; Buie, M. W.; French, R. G.; Olkin, C. S.; Regester, J. R.; Ruhland, C. T.; Shoemaker, K.; Young, L. A.

    2006-09-01

    On 12 JUN 2006 Pluto passed in front of a 15th magnitude star, casting a shadow across southern latitudes that included southern Australia and New Zealand, where we deployed 4 teams of observers. Pluto stellar occultations provide an opportunity to derive the bulk column abundance and the pressure, density and temperature profiles. Previous occultations were observed in 1988 and 2002 (2). We obtained a high-quality lightcurve from the 4-m AAT at a frame rate of 5 Hz, corresponding to 15 samples per scale height with a S/N of at least 25 per sample. The lightcurve contains numerous spikes that are the result of local perturbations in the vertical index of refraction profile; we resolve most of these spikes into five or more points. We expect to present changes to Pluto's bulk column abundance in the context of 1988 and 2002 events (i.e., is Pluto's atmosphere continuing to increase?) as well as high-resolution structure that derives from the detailed shape, spikes and wiggles from the separate ingress and egress portions of the occultation lightcurve. This work is supported by grants from the NSF's Major Research Instrumentation program and NASA's Planetary Astronomy program.

  9. 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.

  10. 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.

  11. Numerical prediction of oblique detonation wave structures using detailed and reduced reaction mechanisms

    NASA Astrophysics Data System (ADS)

    Thaker, A. A.; Chelliah, H. K.

    1997-12-01

    Modelling of the structure and the limiting flow turning angles of an oblique detonation wave, established by a two-dimensional wedge, requires the implementation of detailed chemical kinetic models involving a large number of chemical species. In this paper, a method of reducing the computational effort involved in simulating such high-speed reacting flows by implementing a systematically reduced reaction mechanism is presented. For a hydrogen - air mixture, starting with an elementary mechanism having eight species in 12 reactions, three alternate four-step reduced reaction mechanisms are developed by introducing the steady-state approximation for the reaction intermediates HO2, O and OH, respectively. Additional reduction of the computational effort is achieved by introducing simplifications to the thermochemical data evaluations. The influence of the numerical grid used in predicting the induction process behind the shock is also investigated. Comparisons of the induction zone predicted by two-dimensional oblique detonation wave calculations with that of a static reactor model (with initial conditions of the gas mixture specified by those behind the nonreactive oblique shock wave) are also presented. The reasonably good agreement between the three four-step reduced mechanism predictions and the starting mechanism predictions indicates that further reduction to a two-step mechanism is feasible for the physical flow time scales (corresponding to inflow Mach numbers of 8 - 10) considered here, and needs to be pursued in the future.

  12. Water replacement hypothesis in atomic detail--factors determining the structure of dehydrated bilayer stacks.

    PubMed

    Golovina, Elena A; Golovin, Andrey V; Hoekstra, Folkert A; Faller, Roland

    2009-07-22

    According to the water replacement hypothesis, trehalose stabilizes dry membranes by preventing the decrease of spacing between membrane lipids under dehydration. In this study, we use molecular-dynamics simulations to investigate the influence of trehalose on the area per lipid (APL) and related structural properties of dehydrated bilayers in atomic detail. The starting conformation of a palmitoyloleolylphosphatidylcholine lipid bilayer in excess water was been obtained by self-assembly. A series of molecular-dynamics simulations of palmitoyloleolylphosphatidylcholine with different degrees of dehydration (28.5, 11.7, and 5.4 waters per lipid) and different molar trehalose/lipid ratios (<1:1, 1:1, and >1:1) were carried out in the NPT ensemble. Water removal causes the formation of multilamellar "stacks" through periodic boundary conditions. The headgroups reorient from pointing outward to inward with dehydration. This causes changes in the electrostatic interactions between interfaces, resulting in interface interpenetration. Interpenetration creates self-spacing of the bilayers and prevents gel-phase formation. At lower concentrations, trehalose does not separate the interfaces, and acting together with self-spacing, it causes a considerable increase of APL. APL decreases at higher trehalose concentrations when the layer of sugar physically separates the interfaces. When interfaces are separated, the model confirms the water replacement hypothesis.

  13. 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

  14. Detailed characterization of a cyclophilin from the human malaria parasite Plasmodium falciparum.

    PubMed Central

    Berriman, M; Fairlamb, A H

    1998-01-01

    Cyclosporin (Cs) A has pronounced antimalarial activity in vitro and in vivo. In other organisms, the drug is thought to exert its effects either by inhibiting the peptidylprolyl cis/trans isomerase activity of cyclophilin (CyP) or by forming a CyP-CsA complex that inhibits the phosphatase activity of calcineurin. We have cloned and overexpressed in Escherichia coli a gene encoding a CyP from Plasmodium falciparum (PfCyP19) that is located on chromosome 3. The sequence of PfCyP19 shows remarkable sequence identity with human CyPA and, unlike the two previously identified CyPs from P. falciparum, PfCyP19 has no signal peptide or N-terminal sequence extension, suggesting a cytosolic localization. All the residues implicated in the recognition of the synthetic substrate N-succinyl-Ala-Ala-Pro-Phe-p-nitroanilide are conserved, resulting in characteristically high Michaelis-Menten and specificity constants (Km>>120 microM, kcat/Km=1.2x10(7) M-1.s-1 respectively). As the first line in the functional characterization of this enzyme, we have assessed its binding affinity for CsA. In accordance with its tryptophan-containing CsA-binding domain, PfCyP19 binds CsA with high affinity (Kd=13 nM, Ki=6.9 nM). Twelve CsA analogues were also found to possess Ki values similar to CsA, with the notable exceptions of Val2-Cs (Ki=218 nM) and Thr2-Cs (Ki=690 nM). The immunosuppressants rapamycin and FK506 were inactive as inhibitors, consistent with other members of the CyP family of rotamases. The CsA analogues were also assessed as inhibitors of P. falciparum growth in vitro. Although their antimalarial activity did not correlate with inhibition of enzyme activity, residues 3 and 4 of CsA appeared to be important for inhibition of parasite growth and residues 1 and 2 for PfCyP19 inhibition. We propose that a malarial CyP-CsA complex presents residues 3 and 4 as part of an 'effector surface' for recognition by a downstream target, similar to the proposed mechanism for T

  15. 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

  16. Detailed characterization of laser-produced astrophysically-relevant jets formed via a poloidal magnetic nozzle

    NASA Astrophysics Data System (ADS)

    Higginson, D. P.; Revet, G.; Khiar, B.; Béard, J.; Blecher, M.; Borghesi, M.; Burdonov, K.; Chen, S. N.; Filippov, E.; Khaghani, D.; Naughton, K.; Pépin, H.; Pikuz, S.; Portugall, O.; Riconda, C.; Riquier, R.; Ryazantsev, S. N.; Skobelev, I. Yu.; Soloviev, A.; Starodubtsev, M.; Vinci, T.; Willi, O.; Ciardi, A.; Fuchs, J.

    2017-06-01

    The collimation of astrophysically-relevant plasma ejecta in the form of narrow jets via a poloidal magnetic field is studied experimentally by irradiating a target situated in a 20 T axial magnetic field with a 40 J, 0.6 ns, 0.7 mm diameter, high-power laser. The dynamics of the plasma shaping by the magnetic field are studied over 70 ns and up to 20 mm from the source by diagnosing the electron density, temperature and optical self-emission. These show that the initial expansion of the plasma is highly magnetized, which leads to the formation of a cavity structure when the kinetic plasma pressure compresses the magnetic field, resulting in an oblique shock [A. Ciardi et al., Phys. Rev. Lett. 110, 025002 (2013)]. The resulting poloidal magnetic nozzle collimates the plasma into a narrow jet [B. Albertazzi et al., Science 346, 325 (2014)]. At distances far from the target, the jet is only marginally magnetized and maintains a high aspect ratio due to its high Mach-number (M ∼ 20) and not due to external magnetic pressure. The formation of the jet is evaluated over a range of laser intensities (1012-1013 W/cm2), target materials and orientations of the magnetic field. Plasma cavity formation is observed in all cases and the viability of long-range jet formation is found to be dependent on the orientation of the magnetic field.

  17. Detailed characterization of laser-produced astrophysically-relevant jets formed via a poloidal magnetic nozzle

    DOE PAGES

    Higginson, D. P.; Revet, G.; Khiar, B.; ...

    2017-02-24

    We report that the collimation of astrophysically-relevant plasma ejecta in the form of narrow jets via a poloidal magnetic field is studied experimentally by irradiating a target situated in a 20 T axial magnetic field with a 40 J, 0.6 ns, 0.7 mm diameter, high-power laser. The dynamics of the plasma shaping by the magnetic field are studied over 70 ns and up to 20 mm from the source by diagnosing the electron density, temperature and optical self-emission. These show that the initial expansion of the plasma is highly magnetized, which leads to the formation of a cavity structure whenmore » the kinetic plasma pressure compresses the magnetic field, resulting in an oblique shock [A. Ciardi et al., Phys. Rev. Lett. 110, 025002 (2013)]. The resulting poloidal magnetic nozzle collimates the plasma into a narrow jet [B. Albertazzi et al., Science 346, 325 (2014)]. At distances far from the target, the jet is only marginally magnetized and maintains a high aspect ratio due to its high Mach-number (M~20) and not due to external magnetic pressure. The formation of the jet is evaluated over a range of laser intensities (1012–1013 W/cm2), target materials and orientations of the magnetic field. Lastly, plasma cavity formation is observed in all cases and the viability of long-range jet formation is found to be dependent on the orientation of the magnetic field.« less

  18. Detailed characterization of hyaluronan using aqueous size exclusion chromatography with triple detection and multiangle light scattering detection.

    PubMed

    Harmon, Patricia S; Maziarz, E Peter; Liu, X Michael

    2012-10-01

    Hyaluronan (HA) has attracted great interest and attention from ophthalmic surgical and eye care companies owing to its unique properties. A more complete understanding of HA biopolymers has, therefore, become increasingly critical as thorough characterization of raw materials helps promote product quality and process control. Often, such detailed information requires the use of a combination of analytical techniques. In this study, we compared size exclusion chromatography (SEC) with online multiangle light scattering (SEC-MALS) and SEC with triple detection (SEC-TD) experiments for HA analysis. Three lots of commercially available eye drop grade HA were characterized by SEC-MALS and SEC-TD. The absolute molecular weight averages, molecular weight distribution, radius of gyration, and solution conformation of the three HA lots were determined and compared by the two techniques. In addition, the intrinsic viscosity and intrinsic viscosity distribution were measured by SEC-TD.

  19. Structural characterization of inorganic biomaterials.

    PubMed

    Mavridis, Irene M

    Composite materials with unique architectures are ubiquitous in nature, e.g., marine shells, sponge spicules, bones, and dentine. These structured organic-inorganic systems are generated through self-assembly of organic matter (usually proteins or lipids) into scaffolds, onto which the inorganic component is deposited in organized hierarchical structures of sizes spanning several orders of magnitude. The development of bio-inspired materials is possible through the design of synthetic bottom-up self-assembly methods. Knowledge of the structure is required in order to assess the efficiency of their design and evaluate their properties. This chapter reviews the main methods used for structure determination of natural and synthetic inorganic biomaterials, namely, X-ray diffraction and scattering and electron diffraction and microscopy (TEM, SEM), as well as the AFM and CSLM microscopy methods. Moreover, spectroscopic (IR, NMR, and Raman) and thermal methods are presented. Examples of biomimetic synthetic materials are used to show the contribution of single or multiple techniques in the elucidation of their structure.

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

    PubMed Central

    Handl, Julia; Lovell, Simon C.

    2016-01-01

    ABSTRACT 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. Proteins 2016; 84:411–426. © 2016 The Authors Proteins: Structure, Function, and Bioinformatics Published by Wiley Periodicals, Inc. PMID:26799916

  1. 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}.

  2. 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.

  3. 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.

  4. 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.

  5. 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; hide

    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.

  6. Attenuation tomography in the western central Andes: A detailed insight into the structure of a magmatic arc

    NASA Astrophysics Data System (ADS)

    Haberland, Christian; Rietbrock, Andreas

    2001-06-01

    High-quality data from 1498 local earthquakes recorded by the PISCO '94 (Proyecto de Investigatión Sismológica de la Cordillera Occidental, 1994) and ANCORP '96 (Andean Continental Research Project, 1996) temporary seismological networks allowed the detailed determination of the three-dimensional (3-D) attenuation structure (Qp-1) beneath the recent magmatic arc in the western central Andes (20° to 24°S). Assuming a frequency-independent Qp-1 in a frequency band between 1 and 30 Hz, whole path attenuation (t*) was estimated from the amplitude spectra of the P waves using spectral ratios and a spectral inversion technique. The damped least squares inversion (tomography) of the data reveals a complex attenuation structure. Crust and mantle of the forearc and subducting slab are generally characterized by low attenuation (Qp > 1000). Crust and mantle beneath the magmatic arc show elevated attenuation. The strongest anomaly of extremely low Qp is found in the crust between 22° and 23°S beneath the recent volcanic arc (Qp < 100). N-S variations can be observed: The western flank of the crustal attenuation anomaly follows the curved course of the volcanic front. North of 21°S the attenuation is less developed. In the northern part of the study area the low-Qp zone penetrates in the forearc mantle down to the subducting slab. In the south a deeper zone of high attenuation is resolved between 23° and 24°S directly above the subducting slab. Low Qp in the mantle correlates with earthquake clusters. The strong crustal attenuation is confined to the distribution of young ignimbrites and silicic volcanism and is interpreted as a thermally weakened zone with partial melts. The attenuation pattern in the upper mantle might reflect the variable extent of the asthenosphere and maps variations of subduction-related hydration processes in the mantle wedge from slab-derived fluids.

  7. 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…

  8. 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…

  9. Obtaining detailed structural information about supramolecular systems on surfaces by combining high-resolution force microscopy with ab initio calculations.

    PubMed

    Kawai, Shigeki; Sadeghi, Ali; Xu, Feng; Feng, Xu; Peng, Lifen; Lifen, Peng; Pawlak, Rémy; Glatzel, Thilo; Willand, Alexander; Orita, Akihiro; Otera, Junzo; Goedecker, Stefan; Meyer, Ernst

    2013-10-22

    State-of-the art experimental techniques such as scanning tunneling microscopy have great difficulties in extracting detailed structural information about molecules adsorbed on surfaces. By combining atomic force microscopy and Kelvin probe force microscopy with ab initio calculations, we demonstrate that we can obtain a wealth of detailed structural information about the molecule itself and its environment. Studying an FFPB molecule on a gold surface, we are able to determine its exact location on the surface, the nature of its bonding properties with neighboring molecules that lead to the growth of one-dimensional strips, and the internal torsions and bendings of the molecule.

  10. 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.

  11. Multi-junction-solar-cell designs and characterizations based on detailed-balance principle and luminescence yields

    NASA Astrophysics Data System (ADS)

    Akiyama, Hidefumi; Zhu, Lin; Yoshita, Masahiro; Kim, Changsu; Chen, Shaoqiang; Mochizuki, Toshimitsu; Kanemitsu, Yoshihiko

    2015-03-01

    We developed a straightforward method based on detailed balance relations to analyze individual subcells in multi-junction solar cells via measuring absolute electroluminescence quantum yields. This method was applied to characterization of a InGaP/GaAs/Ge 3-junction solar cell for satellite use. In addition to subcell I-V characteristics and internal luminescence yields, we derived balance sheets of energy and carriers, which revealed respective subcell contributions of radiative and nonradiative recombination losses, junction loss, and luminescence coupling. These results provide important diagnosis and feedback to fabrications. We calculated conversion-efficiency limit and optimized bandgap energy in 2-, 3-, and 4-junction tandem solar cells, including finite values of sub-cell internal luminescence quantum yields to account for realistic material qualities in sub-cells. With reference to the measured internal luminescence quantum yields, the theoretical results provide realistic targets of efficiency limits and improved design principles of practical tandem solar cells.

  12. 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.

  13. 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

  14. Detailed characterization of hyporheic exchange and in-stream solute mixing in a small agricultural stream in Sweden

    NASA Astrophysics Data System (ADS)

    Salehin, M.; Packman, A. I.; Worman, A.

    2001-12-01

    A tracer experiment was performed in Sava Brook, Uppsala, Sweden to assess stream-subsurface exchange and in-channel mixing. In the vicinity of Uppsala, Sava Brook emerges from a forested region and passes through around 25 km of flat agricultural land before emptying into Lake Malaren. A solution of sodium iodide was injected near the transition from forest to agricultural land, and iodide breakthrough curves were obtained at five downstream stations spanning total reach of almost 10 km. The moments of the breakthrough curves were analyzed in order to determine the Transient Storage Model parameters that describe solute detention in the system. This approach does not normally allow separation of in-stream mixing from hyporheic exchange. To address this deficiency, we made additional detailed measurements at the time of the solute injection to characterize the channel geometry, boundary head distribution, and surface-water velocity field in select reaches of the stream. These detailed measurements allow analysis of solute mixing with dead zones in vegetated patches of the stream, which were quite prevalent in some locations, and explicit consideration of stream-subsurface exchange that occurs at various scales.

  15. 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

  16. 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).

  17. 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).

  18. 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.

  19. Detailed simulation of structural color generation inspired by the Morpho butterfly.

    PubMed

    Steindorfer, Michael A; Schmidt, Volker; Belegratis, Maria; Stadlober, Barbara; Krenn, Joachim R

    2012-09-10

    The brilliancy and variety of structural colors found in nature has become a major scientific topic in recent years. Rapid-prototyping processes enable the fabrication of according structures, but the technical exploitation requires a profound understanding of structural features and material properties regarding the generation of reflected color. This paper presents an extensive simulation of the reflectance spectra of a simplified 2D Morpho butterfly wing model by utilizing the finite-difference time-domain method. The structural parameters are optimized for reflection in a given spectral range. A comparison to simpler models, such as a plane dielectric layer stack, provides an understanding of the origin of the reflection behavior. We find that the wavelength of the reflection maximum is mainly set by the lateral dimensions of the structures. Furthermore small variations of the vertical dimensions leave the spectral position of the reflectance wavelength unchanged, potentially reducing grating effects.

  20. 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.

  1. Structural biologists capture detailed image of gene regulator’s fleeting form | Center for Cancer Research

    Cancer.gov

    Using an ultrafast, high-intensity radiation source called an X-ray free-electron laser (XFEL), scientists have captured an atomic-level picture of an RNA structure called a riboswitch as it reorganizes itself to regulate protein production. The structure they visualized has never before been seen, and likely exists for only milliseconds after the riboswitch first encounters its activating molecule.  Read more...  

  2. AFM Structural Characterization of Drinking Water Biofilm ...

    EPA Pesticide Factsheets

    Due to the complexity of mixed culture drinking water biofilm, direct visual observation under in situ conditions has been challenging. In this study, atomic force microscopy (AFM) revealed the three dimensional morphology and arrangement of drinking water relevant biofilm in air and aqueous solution. Operating parameters were optimized to improve imaging of structural details for a mature biofilm in liquid. By using a soft cantilever (0.03 N/m) and slow scan rate (0.5 Hz), biofilm and individual bacterial cell’s structural topography were resolved and continuously imaged in liquid without loss of spatial resolution or sample damage. The developed methodology will allow future in situ investigations to temporally monitor mixed culture drinking water biofilm structural changes during disinfection treatments. Due to the complexity of mixed culture drinking water biofilm, direct visual observation under in situ conditions has been challenging. In this study, atomic force microscopy (AFM) revealed the three dimensional morphology and arrangement of drinking water relevant biofilm in air and aqueous solution. Operating parameters were optimized to improve imaging of structural details for a mature biofilm in liquid. By using a soft cantilever (0.03 N/m) and slow scan rate (0.5 Hz), biofilm and individual bacterial cell’s structural topography were resolved and continuously imaged in liquid without loss of spatial resolution or sample damage. The developed methodo

  3. AFM Structural Characterization of Drinking Water Biofilm ...

    EPA Pesticide Factsheets

    Due to the complexity of mixed culture drinking water biofilm, direct visual observation under in situ conditions has been challenging. In this study, atomic force microscopy (AFM) revealed the three dimensional morphology and arrangement of drinking water relevant biofilm in air and aqueous solution. Operating parameters were optimized to improve imaging of structural details for a mature biofilm in liquid. By using a soft cantilever (0.03 N/m) and slow scan rate (0.5 Hz), biofilm and individual bacterial cell’s structural topography were resolved and continuously imaged in liquid without loss of spatial resolution or sample damage. The developed methodology will allow future in situ investigations to temporally monitor mixed culture drinking water biofilm structural changes during disinfection treatments. Due to the complexity of mixed culture drinking water biofilm, direct visual observation under in situ conditions has been challenging. In this study, atomic force microscopy (AFM) revealed the three dimensional morphology and arrangement of drinking water relevant biofilm in air and aqueous solution. Operating parameters were optimized to improve imaging of structural details for a mature biofilm in liquid. By using a soft cantilever (0.03 N/m) and slow scan rate (0.5 Hz), biofilm and individual bacterial cell’s structural topography were resolved and continuously imaged in liquid without loss of spatial resolution or sample damage. The developed methodo

  4. Synthesis and structural characterization of zinc titanates

    NASA Astrophysics Data System (ADS)

    Akgül, Güvenç

    2013-04-01

    The aim of this study is to accurately obtain of local atomic structures of zinc titanates (ZnTiO3 and Zn2TiO4). Samples have been synthesized by the ball milling method using mixture of high purity ZnO and TiO2 powders. X-ray diffraction (XRD), X-ray absorption near edge structure (XANES), and extended X-ray absorption fine structure (EXAFS) techniques have been used to probe crystal and local structures of the synthesized powders. They have been found to exhibit very high crystallinity. In addition, the EXAFS results have showed that the ball milling is a quite effective method to fabricate highly crystalline nanosized powders. The obtained results are presented in detail.

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

    NASA Technical Reports Server (NTRS)

    Egolfopoulos, Fokion N.; Campbell, Charles S.

    1997-01-01

    Two-phase reacting flows are substantially less understood compared to gas phase flows. While extensive work has been done on sprays, less attention has been given to the details of dusty reacting flows. Dusty flows are of particular interest for a wide range of applications. Particles can be present in a gas intentionally or unintentionally, and they can be inert or reacting. Inert particles can be also present in an otherwise reacting gas flow, and that can lead to flame cooling and modification of the extinction limits of a combustible mixture. Reacting solid particles can release substantial amounts of heat upon oxidation, and can be used either for propulsion (e.g. Al, B, Mg) or power generation (coal). Furthermore, accidents can occur when a reacting dust accumulates in air and which, in the presence of an ignition source, can cause explosion. Such explosions can occur during lumber milling, in grain elevators, and in mine galleries.

  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. Assessment of coal-water slurry fuels for electric power generation in Southern Indiana: Part 1, Detailed resource characterization

    SciTech Connect

    Daniel, D.N.; Harvey, C.; Dazhen, T.

    1997-07-01

    Impounded coal fines, a by-product of wet coal preparation techniques, are a potential fuel resource for electric power generation due to their abundance and characteristics when burned as a coal-water slurry fuel (CWSF). Recent work by the Pennsylvania Electric Company and others has shown that co-firing CWSF composed of cleaned material from slurry impoundments can reduce emissions of nitrogen oxides by as much as twenty percent. The commercial reality of using impounded coal fines as a CWSF depends more on coal cost, processing requirements, and the value of emission reduction credits than on the quality or abundance of the material. Many Southern Indiana slurry impoundments, including those selected for characterization in this study, contain over one-million tons of fine coal. The older impoundments have a higher percentage of coarse coal. One impoundment filled prior to 1975 averages fifty percent coal particles greater than 30 mesh (600 {mu}). Improvements in preparation plant fine coal recovery circuits are reflected by an increasing percentage of less than 200 mesh (75 {mu}) coal in more recently filled impoundments. Another impoundment filled in 1995 averages forty-nine percent coal and mineral particles finer than 200 mesh. Bench scale sink/float testing showed that separating particles with a specific gravity greater than 1.7 produced a fine coal with ten percent ash and three percent sulfur. This is similar in quality, but finer in particle size, to the coal currently used in a typical coal fired power station burning typical Illinois Basin coals. Detailed characterization of two inactive impoundments highlighted the differences between coal fines in an older impoundment and one filled in the last ten years.

  9. Detailed Study of the TE band structure of two dimensional metallic photonic crystals with square symmetry

    NASA Astrophysics Data System (ADS)

    Sedghi, Aliasghar; Valiaghaie, Soma; Soufiani, Ahad Rounaghi

    2014-10-01

    By virtue of the efficiency of the Dirichlet-to-Neumann map method, we have calculated, for H-polarization (TE mode), the band structure of 2D photonic crystals with a square lattice composed of metallic rods embedded in an air background. The rod in the unit cell is chosen to be circular in shape. Here, from a practical point of view, in order to obtain maximum band gaps, we have studied the band structure as a function of the size of the rods. We have also studied the flat bands appearing in the band structures and have shown that for frequencies around the surface plasmon frequency, the modes are highly localized at the interface between the metallic rods and the air background.

  10. Emerging structural details of transient amyloid-β oligomers suggest designs for effective small molecule modulators

    NASA Astrophysics Data System (ADS)

    Chandra, Bappaditya; Halder, Swagata; Adler, Juliane; Korn, Alexander; Huster, Daniel; Maiti, Sudipta

    2017-05-01

    Small oligomers are the major toxic species in many amyloid related diseases, but they are difficult to characterize and target. Here we construct tetra-peptides FXFX (X = F/K), designed to exploit cation-π, π-π and hydrophobic interactions to disrupt the critical F19-L34 contact recently found in Aβ40 oligomers. FRFR accelerates Aβ40 aggregation, and strongly inhibits its binding to lipid membranes, which is important in the context of toxicity. FKFK lacks both of these effects, which correlates with the weaker interaction of K with aromatic residues. Thus it appears possible to tune specific contacts in the oligomer and effectively change its properties.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. A detailed view of a ribosomal active site: the structure of the L11-RNA complex.

    PubMed

    Wimberly, B T; Guymon, R; McCutcheon, J P; White, S W; Ramakrishnan, V

    1999-05-14

    We report the crystal structure of a 58 nucleotide fragment of 23S ribosomal RNA bound to ribosomal protein L11. This highly conserved ribonucleoprotein domain is the target for the thiostrepton family of antibiotics that disrupt elongation factor function. The highly compact RNA has both familiar and novel structural motifs. While the C-terminal domain of L11 binds RNA tightly, the N-terminal domain makes only limited contacts with RNA and is proposed to function as a switch that reversibly associates with an adjacent region of RNA. The sites of mutations conferring resistance to thiostrepton and micrococcin line a narrow cleft between the RNA and the N-terminal domain. These antibiotics are proposed to bind in this cleft, locking the putative switch and interfering with the function of elongation factors.

  16. The detailed spatial structure of field-aligned currents comprising the substorm current wedge

    NASA Astrophysics Data System (ADS)

    Murphy, Kyle R.; Mann, Ian R.; Rae, I. Jonathan; Waters, Colin L.; Frey, Harald U.; Kale, Andy; Singer, Howard J.; Anderson, Brian J.; Korth, Haje

    2013-12-01

    We present a comprehensive two-dimensional view of the field-aligned currents (FACs) during the late growth and expansion phases for three isolated substorms utilizing in situ observations from the Active Magnetosphere and Planetary Electrodynamics Response Experiment and from ground-based magnetometer and optical instrumentation from the Canadian Array for Realtime Investigations of Magnetic Activity and Time History of Events and Macroscale Interactions during Substorms ground-based arrays. We demonstrate that the structure of FACs formed during the expansion phase and associated with the substorm current wedge is significantly more complex than a simple equivalent line current model comprising a downward FAC in the east and upward FAC in the west. This two-dimensional view demonstrates that azimuthal bands of upward and downward FACs with periodic structuring in latitude form across midnight and can span up to 8 h of magnetic local time. However, when averaged over latitude, the overall longitudinal structure of the net FACs resembles the simpler equivalent line current description of the substorm current wedge (SCW). In addition, we demonstrate that the upward FAC elements of the structured SCW are spatially very well correlated with discrete aurora during the substorm expansion phase and that discrete changes in the FAC topology are observed in the late growth phase prior to auroral substorm expansion phase onset. These observations have important implications for determining how the magnetosphere and ionosphere couple during the late growth phase and expansion phase, as well as providing important constraints on the magnetospheric generator of the FACs comprising the SCW.

  17. The structure of apo human glutamate dehydrogenase details subunit communication and allostery.

    PubMed

    Smith, Thomas J; Schmidt, Timothy; Fang, Jie; Wu, Jane; Siuzdak, Gary; Stanley, Charles A

    2002-05-03

    The structure of human glutamate dehydrogenase (GDH) has been determined in the absence of active site and regulatory ligands. Compared to the structures of bovine GDH that were complexed with coenzyme and substrate, the NAD binding domain is rotated away from the glutamate-binding domain. The electron density of this domain is more disordered the further it is from the pivot helix. Mass spectrometry results suggest that this is likely due to the apo form being more dynamic than the closed form. The antenna undergoes significant conformational changes as the catalytic cleft opens. The ascending helix in the antenna moves in a clockwise manner and the helix in the descending strand contracts in a manner akin to the relaxation of an extended spring. A number of spontaneous mutations in this antenna region cause the hyperinsulinism/hyperammonemia syndrome by decreasing GDH sensitivity to the inhibitor, GTP. Since these residues do not directly contact the bound GTP, the conformational changes in the antenna are apparently crucial to GTP inhibition. In the open conformation, the GTP binding site is distorted such that it can no longer bind GTP. In contrast, ADP binding benefits by the opening of the catalytic cleft since R463 on the pivot helix is pushed into contact distance with the beta-phosphate of ADP. These results support the previous proposal that purines regulate GDH activity by altering the dynamics of the NAD binding domain. Finally, a possible structural mechanism for negative cooperativity is presented.

  18. Crystal structure of α5β1 integrin ectodomain: Atomic details of the fibronectin receptor

    PubMed Central

    Nagae, Masamichi; Re, Suyong; Mihara, Emiko; Nogi, Terukazu; Sugita, Yuji

    2012-01-01

    Integrin α5β1 is a major cellular receptor for the extracellular matrix protein fibronectin and plays a fundamental role during mammalian development. A crystal structure of the α5β1 integrin headpiece fragment bound by an allosteric inhibitory antibody was determined at a 2.9-Å resolution both in the absence and presence of a ligand peptide containing the Arg-Gly-Asp (RGD) sequence. The antibody-bound β1 chain accommodated the RGD ligand with very limited structural changes, which may represent the initial step of cell adhesion mediated by nonactivated integrins. Furthermore, a molecular dynamics simulation pointed to an important role for Ca2+ in the conformational coupling between the ligand-binding site and the rest of the molecule. The RGD-binding pocket is situated at the center of a trenchlike exposed surface on the top face of α5β1 devoid of glycosylation sites. The structure also enabled the precise prediction of the acceptor residue for the auxiliary synergy site of fibronectin on the α5 subunit, which was experimentally confirmed by mutagenesis and kinetic binding assays. PMID:22451694

  19. 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.

  20. Electrochemical Characterization of Semiconductor Materials and Structures

    NASA Technical Reports Server (NTRS)

    1997-01-01

    For a period covering October 1, 1995 through August 12, 1996, the research group at CSU has conducted theoretical and experimental research on "Electrochemical Characterization of Semiconductor Materials and Structures. " The objective of this investigation was to demonstrate the applicability of electrochemical techniques for characterization of complex device structures based on InP and GaAs, Ge, InGaAs, InSb, InAs and InSb, including: (1) accurate EC-V net majority carrier concentration depth profiling, and (2) surface and bulk structural and electrical type defect densities. Our motivation for this R&D effort was as follows: "Advanced space solar cells and ThermoPhotoVoltaic (TPV) cells are fabricated using a large variety of III-V materials based on InP and GaAs for solar cells and low bandgap materials such as Ge, InGaAs, InAs and InSb for TPV applications. At the present time for complex device structures using these materials, however, there is no simple way to assess the quality of these structures prior to device fabrication. Therefore, process optimization is a very time consuming and a costly endeavor". Completion of this R&D effort would have had unquestionable benefits for space solar cell and TPV cells, since electrochemical characterization of the above cell structures, if properly designed can provide many useful structural and electrical material information virtually at any depth inside various layers and at the interfaces. This, could have been applied for step-by-step process optimization, which could have been used for fabrication of new generation high efficiency, low cost space PV and TPV cells.

  1. 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.

  2. Coupling geostatistics to detailed reservoir description allows better visualization and more accurate characterization/simulation of turbidite reservoirs: Elk Hills oil field, California

    SciTech Connect

    Allan, M.E.; Wilson, M.L.; Wightman, J. )

    1996-01-01

    The Elk Hills giant oilfield, located in the southern San Joaquin Valley of California, has produced 1.1 billion barrels of oil from Miocene and shallow Pliocene reservoirs. 65% of the current 64,000 BOPD production is from the pressure-supported, deeper Miocene turbidite sands. In the turbidite sands of the 31 S structure, large porosity permeability variations in the Main Body B and Western 31 S sands cause problems with the efficiency of the waterflooding. These variations have now been quantified and visualized using geostatistics. The end result is a more detailed reservoir characterization for simulation. Traditional reservoir descriptions based on marker correlations, cross-sections and mapping do not provide enough detail to capture the short-scale stratigraphic heterogeneity needed for adequate reservoir simulation. These deterministic descriptions are inadequate to tie with production data as the thinly bedded sand/shale sequences blur into a falsely homogenous picture. By studying the variability of the geologic petrophysical data vertically within each wellbore and spatially from well to well, a geostatistical reservoir description has been developed. It captures the natural variability of the sands and shales that was lacking from earlier work. These geostatistical studies allow the geologic and petrophysical characteristics to be considered in a probabilistic model. The end-product is a reservoir description that captures the variability of the reservoir sequences and can be used as a more realistic starting point for history matching and reservoir simulation.

  3. Coupling geostatistics to detailed reservoir description allows better visualization and more accurate characterization/simulation of turbidite reservoirs: Elk Hills oil field, California

    SciTech Connect

    Allan, M.E.; Wilson, M.L.; Wightman, J.

    1996-12-31

    The Elk Hills giant oilfield, located in the southern San Joaquin Valley of California, has produced 1.1 billion barrels of oil from Miocene and shallow Pliocene reservoirs. 65% of the current 64,000 BOPD production is from the pressure-supported, deeper Miocene turbidite sands. In the turbidite sands of the 31 S structure, large porosity & permeability variations in the Main Body B and Western 31 S sands cause problems with the efficiency of the waterflooding. These variations have now been quantified and visualized using geostatistics. The end result is a more detailed reservoir characterization for simulation. Traditional reservoir descriptions based on marker correlations, cross-sections and mapping do not provide enough detail to capture the short-scale stratigraphic heterogeneity needed for adequate reservoir simulation. These deterministic descriptions are inadequate to tie with production data as the thinly bedded sand/shale sequences blur into a falsely homogenous picture. By studying the variability of the geologic & petrophysical data vertically within each wellbore and spatially from well to well, a geostatistical reservoir description has been developed. It captures the natural variability of the sands and shales that was lacking from earlier work. These geostatistical studies allow the geologic and petrophysical characteristics to be considered in a probabilistic model. The end-product is a reservoir description that captures the variability of the reservoir sequences and can be used as a more realistic starting point for history matching and reservoir simulation.

  4. 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.

  5. Detailed design of a lattice composite fuselage structure by a mixed optimization method

    NASA Astrophysics Data System (ADS)

    Liu, D.; Lohse-Busch, H.; Toropov, V.; Hühne, C.; Armani, U.

    2016-10-01

    In this article, a procedure for designing a lattice fuselage barrel is developed. It comprises three stages: first, topology optimization of an aircraft fuselage barrel is performed with respect to weight and structural performance to obtain the conceptual design. The interpretation of the optimal result is given to demonstrate the development of this new lattice airframe concept for the fuselage barrel. Subsequently, parametric optimization of the lattice aircraft fuselage barrel is carried out using genetic algorithms on metamodels generated with genetic programming from a 101-point optimal Latin hypercube design of experiments. The optimal design is achieved in terms of weight savings subject to stability, global stiffness and strain requirements, and then verified by the fine mesh finite element simulation of the lattice fuselage barrel. Finally, a practical design of the composite skin complying with the aircraft industry lay-up rules is presented. It is concluded that the mixed optimization method, combining topology optimization with the global metamodel-based approach, allows the problem to be solved with sufficient accuracy and provides the designers with a wealth of information on the structural behaviour of the novel anisogrid composite fuselage design.

  6. Study of effects of design details on structural response to acoustic excitation

    NASA Technical Reports Server (NTRS)

    Rudder, F. F., Jr.

    1972-01-01

    The normal mode vibration characteristics of one-dimensional and two-dimensional panel arrays were investigated analytically and experimentally. The finite element displacement method was used to formulate the structural models. The structural models include a stiffness and consistent mass matrix for thin-walled open-section beams not previously reported, and a modification of a rectangular plate bending element to include a fundamental interior mode for the element as a generalized coordinate. Provision for adding lumped masses to represent accelerometers is also included. For the one-dimensional panel, the normal mode stress resultants are obtained by integrating the equilibrium equations directly. For the two-dimensional panel arrays, the solution for the stress resultants in the cover sheet was attempted by introducing stress functions dependent upon the displacement field of the plate element. This approach, although incomplete, is a natural extension of the one-dimensional analysis for plate elements. The exerimental program which was used to verify the analysis is described and experimental results are compared with the analysis.

  7. A detailed three-dimensional P-wave velocity structure in Italy from local earthquake tomography

    NASA Astrophysics Data System (ADS)

    di Stefano, Raffaele; Castello, Barbara; Chiarabba, Claudio; Grazia Ciaccio, Maria

    2010-05-01

    We here present an updated high resolution tomographic P-wave velocity model of the lithosphere in Italy, obtained by adding about 296,600 P-wave arrival observations from ~7.200 earthquakes, from the preliminary update of the CSI 2.0, recorded in the period 2003-2007, to the previously inverted dataset (165,000 P-wave arrivals).Additional events have been strictly selected for location quality (azimuthal gap < 135°; horizontal error <= 2km; vertical error <= 4km; rms < 1s) and a number of P-wave observations >= 8. Our results confirm the main structural features in the best resolved parts of the inverted volume and show a much better resolution in some of the previously less resolved areas, due to both the larger number of inverted phases and the more even distribution of seismic stations. Surface basins and relationships between the Adriatic, Tyrrhenian, and European plates are better imaged. The integrated analysis of 20 years of seismicity and the high resolution tomographic images obtained, allows us to add new constraints to the kynematics and the geodynamics of the lithosphere-asthenosphere system in this region. We also present preliminary results obtained by thickening the nodes spacing from 15km x15km to 10km x 10km and we finally compare the complex velocity structures imaged by the inversion of the two different grid spacing.

  8. Unveiling details of defect structures in chiral and achiral nematic droplets by improving simulations of optical images

    NASA Astrophysics Data System (ADS)

    Mur, Urban; Čopar, Simon; Ravnik, Miha; Čančula, Miha; Žumer, Slobodan

    2016-09-01

    There is a great increase of interest in the nematic defect structures, where interplay of confinement, elasticity, anchoring, and chirality leads to complex ordering fields with singular topological defects and nonsingular solitonic deformations. Beside numerous advanced microscopy techniques, the standard polarized optical microscopy is still an elementary first-to-take tool in use. To fully capture its potential and understand the limitations in unveiling the details of complex structures, we apply a recently extended Jones matrix approach based on ray-tracing that allows to include also effects of focusing and numerical aperture. The approach is illustrated with results of recent studies of cholesteric droplets.

  9. Deciphering fine molecular details of proteins' structure and function with a Protein Surface Topography (PST) method.

    PubMed

    Koromyslova, Anna D; Chugunov, Anton O; Efremov, Roman G

    2014-04-28

    Molecular surfaces are the key players in biomolecular recognition and interactions. Nowadays, it is trivial to visualize a molecular surface and surface-distributed properties in three-dimensional space. However, such a representation trends to be biased and ambiguous in case of thorough analysis. We present a new method to create 2D spherical projection maps of entire protein surfaces and manipulate with them--protein surface topography (PST). It permits visualization and thoughtful analysis of surface properties. PST helps to easily portray conformational transitions, analyze proteins' properties and their dynamic behavior, improve docking performance, and reveal common patterns and dissimilarities in molecular surfaces of related bioactive peptides. This paper describes basic usage of PST with an example of small G-proteins conformational transitions, mapping of caspase-1 intersubunit interface, and intrinsic "complementarity" in the conotoxin-acetylcholine binding protein complex. We suggest that PST is a beneficial approach for structure-function studies of bioactive peptides and small proteins.

  10. 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.

  11. The dimeric proto-ribosome: Structural details and possible implications on the origin of life.

    PubMed

    Agmon, Ilana

    2009-06-30

    A symmetric pocket-like entity, composed of two L-shaped RNA units, encircles the peptide synthesis site within the contemporary ribosome. This entity was suggested to be the vestige of a dimeric proto-ribosome, which could have formed spontaneously in the prebiotic world, catalyzing non-coded peptide bond formation and elongation. This structural element, beyond offering the initial step in the evolution of translation, is hypothesized here to be linked to the origin of life. By catalyzing the production of random peptide chains, the proto-ribosome could have enabled the formation of primary enzymes, launching a process of co-evolution of the translation apparatus and the proteins, thus presenting an alternative to the RNA world hypothesis.

  12. 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.

  13. Systematic Survey of Clonal Complexity in Tuberculosis at a Populational Level and Detailed Characterization of the Isolates Involved ▿

    PubMed Central

    Navarro, Yurena; Herranz, Marta; Pérez-Lago, Laura; Martínez Lirola, Miguel; Ruiz-Serrano, Maria Jesús; Bouza, Emilio; García de Viedma, Darío

    2011-01-01

    Clonally complex infections by Mycobacterium tuberculosis are progressively more accepted. Studies of their dimension in epidemiological scenarios where the infective pressure is not high are scarce. Our study systematically searched for clonally complex infections (mixed infections by more than one strain and simultaneous presence of clonal variants) by applying mycobacterial interspersed repetitive-unit (MIRU)–variable-number tandem-repeat (VNTR) analysis to M. tuberculosis isolates from two population-based samples of respiratory (703 cases) and respiratory-extrapulmonary (R+E) tuberculosis (TB) cases (71 cases) in a context of moderate TB incidence. Clonally complex infections were found in 11 (1.6%) of the respiratory TB cases and in 10 (14.1%) of those with R+E TB. Among the 21 cases with clonally complex TB, 9 were infected by 2 independent strains and the remaining 12 showed the simultaneous presence of 2 to 3 clonal variants. For the 10 R+E TB cases with clonally complex infections, compartmentalization (different compositions of strains/clonal variants in independent infected sites) was found in 9 of them. All the strains/clonal variants were also genotyped by IS6110-based restriction fragment length polymorphism analysis, which split two MIRU-defined clonal variants, although in general, it showed a lower discriminatory power to identify the clonal heterogeneity revealed by MIRU-VNTR analysis. The comparative analysis of IS6110 insertion sites between coinfecting clonal variants showed differences in the genes coding for a cutinase, a PPE family protein, and two conserved hypothetical proteins. Diagnostic delay, existence of previous TB, risk for overexposure, and clustered/orphan status of the involved strains were analyzed to propose possible explanations for the cases with clonally complex infections. Our study characterizes in detail all the clonally complex infections by M. tuberculosis found in a systematic survey and contributes to the

  14. Detailed characterization of polar compounds of residual oil in contaminated soil revealed by Fourier transform ion cyclotron resonance mass spectrometry.

    PubMed

    Wang, Jian; Zhang, Xu; Li, Guanghe

    2011-10-01

    Effects of remediation technologies on polar compounds of crude oil in contaminated soils have not been well understood when compared to hydrocarbons. In this study, ultrahigh resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) was used to characterize the changes in NSO polar compounds of crude oil and residual oil after long-term natural attenuation, biostimulation and subsequent ozonation following biostimulation of contaminated soils. N1 and O1 species, which were abundant in the crude oil, were selectively biodegraded, and species with higher double bond equivalent values and smaller carbon numbers appeared to be more resistant to microbial alteration. O2-O6 species were enriched by biodegradation and contained a large number of compounds with a high degree of unsaturation. Ozone could react with a variety of polar compounds in residual oil after biodegradation and showed high reactivity with polar species containing aromatic or multi-aliphatic rings, including the residual N1 and O1 species, naphthenic acids and unsaturated O3-O6 compounds. Fatty acids and O3-O8 species dominated by saturated alkyl compounds were resistant to ozonation or the primarily incomplete ozonation products. Principal component analysis of identified peaks in the FT-ICR MS spectra provided a comprehensive overview of the complex samples at the molecular level and the results were consistent with the detailed analysis. Taken together, these results showed the high complexity of polar compounds in residual oils after biodegradation or ozonation in contaminated soil and would contribute to a better understanding of bioremediation and ozonation processes. Copyright © 2011 Elsevier Ltd. All rights reserved.

  15. 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.

  16. 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.

  17. Characterization and Cure Monitoring of Structural Adhesives

    DTIC Science & Technology

    1989-02-01

    OX tiLE (OP? MTL TR 89-15 AD CHARACTERIZATION AND CURE MONITORING OF STRUCTURAL ADHESIVES CD WALTER X. ZUKAS, HOWARD H. WONG, DAVID A. DUNN, and...REPORT NUMB3ER 7. AUTHOR(s) 8. CONTRACT OR GRANT NUMBERs) Walter X. Zukas, Howard H. Wong, David A. Dunn, and Stanley E. Wentworth I. PERFORING...Technology, Gaithersburg, MD 20899 1 ATTN: B. Fanconi, Polymer Standards Division 1 D. Hunston, Polymer Standards Division 1 Dr. Stanley M. Barkin , Staff

  18. Emergence and detailed structure of terraced surfaces produced by oblique-incidence ion sputtering

    NASA Astrophysics Data System (ADS)

    Harrison, Matt P.; Pearson, Daniel A.; Bradley, R. Mark

    2017-09-01

    We study the nanoscale terraced topographies that arise when a solid surface is bombarded with a broad ion beam that has a relatively high angle of incidence θ . We find that the surface is not completely flat between the regions in which the surface slope changes rapidly with position: Instead, small-amplitude ripples propagate along the surface. Our analytical work on these ripples yields their propagation velocity as well as the scaling behavior of their amplitude. Our simulations establish that the surfaces exhibit interrupted coarsening, i.e., the characteristic width and height of the surface disturbance grow for a time but ultimately asymptote to finite values as the fully terraced state develops. In addition, as θ is reduced, the surface can undergo a transition from a terraced morphology that changes little with time as it propagates over the surface to an unterraced state that appears to exhibit spatiotemporal chaos. For different ranges of the parameters, our equation of motion produces unterraced topographies that are remarkably similar to those seen in various experiments, including pyramidal structures that are elongated along the projected beam direction and isolated lenticular depressions.

  19. Detailed Structure of the Outer Disk Around HD 169142 with Polarized Light in H-band

    NASA Technical Reports Server (NTRS)

    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; McElwain, Michael W.

    2015-01-01

    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 lambda = 7 mm. This can be regarded as another sign of a protoplanet in TZ. The observed radial profile of the PI is reproduced by a minimally flaring disk with an irregular surface density distribution or with an irregular temperature distribution or with the 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 shadowing effect by a puffed up structure in the inner power-law region.

  20. Conjugation of α-amylase with dextran for enhanced stability: process details, kinetics and structural analysis.

    PubMed

    Jadhav, Swati B; Singhal, Rekha S

    2012-11-06

    The influence of enzyme polysaccharide interaction on enzyme stability and activity was elucidated by covalently binding dextran to a model enzyme, α-amylase. The conjugation process was optimized with respect to concentration of oxidizing agent, pH of enzyme solution, ratio of dextran to enzyme concentration, temperature and time of conjugate formation, and was found to affect the stability of α-amylase. α-Amylase conjugated under optimized conditions showed 5% loss of activity but with enhanced thermal and pH stability. Lower inactivation rate constant of conjugated α-amylase within the temperature range of 60-80 °C implied its better stability. Activation energy for denaturation of α-amylase increased by 8.81 kJ/mol on conjugation with dextran. Analysis of secondary structure of α-amylase after covalent binding with dextran showed helix to turn conversion without loss of functional properties of α-amylase. Covalent bonding was found to be mandatory for the formation of conjugate.

  1. 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

  2. Detailed studies on substrate structure requirements of glycoamidases A and F.

    PubMed

    Fan, J Q; Lee, Y C

    1997-10-24

    Glycoamidases (peptide-N4-(N-acetyl-beta-glucosaminyl)asparagine amidase, EC 3.5.1.52; also known as peptide: N-glycanases (PNGases) release N-linked oligosaccharides from glycopeptides and/or glycoproteins by hydrolyzing the glycosylated beta-amide bond of the asparagine side chain. The most widely used glycoamidases are those from Flavobacterium meningosepticum (glycoamidase F or PNGase F) and almond emulsin (glycoamidase A or PNGase A). To study the substrate structure requirement of these enzymes systematically, we synthesized >30 glycopeptides containing cellobiose, lactose, GlcNAc, and di-N,N'-acetylchitobiose (CTB). The length of the peptide was varied from one to five amino acids, and glycosylamines were linked to either Asn or Gln located at different positions in the peptide, including NH2 and COOH termini. Neither enzyme could cleave cellobiose and lactose glycopeptides, indicating that the 2-acetamido group on the Asn-linked GlcNAc is important in the recognition by both glycoamidases A and F. GlcNAc peptides could be cleaved by both enzymes, albeit not as effectively as CTB glycopeptides. Neither enzyme requires the Asn-Xaa-(Ser/Thr) sequence (required for N-glycosylation) for activity. Glycoamidase A could even hydrolyze a Gln-bound CTB glycopeptide, whereas the action of glycoamidase F on this substrate is minimal. While glycoamidase A could act on CTB dipeptides, glycoamidase F preferred a tripeptide or longer. The Km and Vmax values of glycoamidase A for t-butoxycarbonyl-(CTB)-Asn-Ala-Ser-OMe were 2.1 mM and 0.66 micromol/min/mg, respectively. A natural glycodipeptide, Man9-GlcNAc2-Asn-Phe, was also completely hydrolyzed by glycoamidase A.

  3. 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.

  4. 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.

  5. NMR Crystallography of Enzyme Active Sites: Probing Chemically-Detailed, Three-Dimensional Structure in Tryptophan Synthase

    PubMed Central

    Dunn, Michael F.

    2013-01-01

    Conspectus NMR crystallography – the synergistic combination of X-ray diffraction, solid-state NMR spectroscopy, and computational chemistry – offers unprecedented insight into three-dimensional, chemically-detailed structure. From its initial role in refining diffraction data of organic and inorganic solids, NMR crystallography is now being developed for application to active sites in biomolecules, where it reveals chemically-rich detail concerning the interactions between enzyme site residues and the reacting substrate that is not achievable when X-ray, NMR, or computational methodologies are applied in isolation. For example, typical X-ray crystal structures (1.5 to 2.5 Å resolution) of enzyme-bound intermediates identify possible hydrogen-bonding interactions between site residues and substrate, but do not directly identify the protonation state of either. Solid-state NMR can provide chemical shifts for selected atoms of enzyme-substrate complexes, but without a larger structural framework in which to interpret them, only empirical correlations with local chemical structure are possible. Ab initio calculations and molecular mechanics can build models for enzymatic processes, but rely on chemical details that must be specified. Together, however, X-ray diffraction, solid-state NMR spectroscopy, and computational chemistry can provide consistent and testable models for structure and function of enzyme active sites: X-ray crystallography provides a coarse framework upon which models of the active site can be developed using computational chemistry; these models can be distinguished by comparison of their calculated NMR chemical shifts with the results of solid-state NMR spectroscopy experiments. Conceptually, each technique is a puzzle piece offering a generous view of the big picture. Only when correctly pieced together, however, can they reveal the big picture at highest resolution. In this Account, we detail our first steps in the development of NMR

  6. EM-fold: de novo atomic-detail protein structure determination from medium-resolution density maps.

    PubMed

    Lindert, Steffen; Alexander, Nathan; Wötzel, Nils; Karakaş, Mert; Stewart, Phoebe L; Meiler, Jens

    2012-03-07

    Electron density maps of membrane proteins or large macromolecular complexes are frequently only determined at medium resolution between 4 Å and 10 Å, either by cryo-electron microscopy or X-ray crystallography. In these density maps, the general arrangement of secondary structure elements (SSEs) is revealed, whereas their directionality and connectivity remain elusive. We demonstrate that the topology of proteins with up to 250 amino acids can be determined from such density maps when combined with a computational protein folding protocol. Furthermore, we accurately reconstruct atomic detail in loop regions and amino acid side chains not visible in the experimental data. The EM-Fold algorithm assembles the SSEs de novo before atomic detail is added using Rosetta. In a benchmark of 27 proteins, the protocol consistently and reproducibly achieves models with root mean square deviation values <3 Å.

  7. 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

  8. 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

  9. 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.

  10. Studies of detailed biofilm characterization on fly ash concrete in comparison with normal and superplasticizer concrete in seawater environments.

    PubMed

    Vishwakarmaa, Vinita; George, R P; Ramachandran, D; Anandkumar, B; Mudalib, U Kamachi

    2014-01-01

    In cooling water systems, many concrete structures in the form of tanks, pillars and reservoirs that come in contact with aggressive seawater are being deteriorated by chemical and biological factors. The nuclear industry has decided to partially replace the Portland cement with appropriate pozzolans such as fly ash, which could densify the matrix and make the concrete impermeable. Three types of concrete mixes, viz., normal concrete (NC), concrete with fly ash and superplasticizer (FA) and concrete with only superplasticizer (SP) were fabricated for short- and long-term exposure studies and for screening out the better concrete in seawater environments. Biofilm characterization studies and microscopic studies showed excellent performance of FA concrete compared to the other two. Laboratory exposure studies in pure cultures of Thiobacillus thiooxidans and Fusarium oxysporum were demonstrated for the inhibition of microbial growth on fly ash. Epifluorescence and scanning electron microscopic studies supported the better performance of the FA specimen. Thus, the present study clearly showed that FA concrete is less prone to biofilm formation and biodeterioration.

  11. Structural characterization of dimeric murine aminoacylase III.

    PubMed

    Ryazantsev, Sergey; Abuladze, Natalia; Newman, Debra; Bondar, Galyna; Kurtz, Ira; Pushkin, Alexander

    2007-05-01

    Aminoacylase III (AAIII) plays an important role in deacetylation of acetylated amino acids and N-acetylated S-cysteine conjugates of halogenated alkenes and alkanes. AAIII, recently cloned from mouse kidney and partially characterized, is a mixture of tetramers and dimers. In the present work, AAIII dimers were purified and shown to be enzymatically active. Limited trypsinolysis showed two domains of approximately 9 and 25 kDa. The three-dimensional structure of the dimer was studied by electron microscopy of negative stained samples and by single-particle reconstruction. A 16A resolution model of the AAIII dimer was created. It has an unusual, cage-like, structure. A realistic AAIII tetramer model was built from two dimers.

  12. 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.

  13. The role of structure-to-property-relationships in materials characterization

    SciTech Connect

    Morgner, W.

    2000-07-01

    The paper deals with questions concerning the material characterization for steels in the field of engineering and metallurgy. Based on the structure-to-property-relationships, a procedure is proposed to strengthen the systematical development of methods for nondestructive characterization of materials. The state of the nondestructive characterization of metals is reviewed and applications are described in which adequate macroscopic physical properties are measured in order to characterize the materials state and properties nondestructively. The materials characterization of ball bearing steel and cast iron using multiparametrical approaches is discussed in detail.

  14. Thermomechanical characterization and modeling for TSV structures

    NASA Astrophysics Data System (ADS)

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

    2014-06-01

    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.

  15. Structural characterization of thioether-bridged bacteriocins.

    PubMed

    Lohans, Christopher T; Vederas, John C

    2014-01-01

    Bacteriocins are a group of ribosomally synthesized antimicrobial peptides produced by bacteria, some of which are extensively post-translationally modified. Some bacteriocins, namely the lantibiotics and sactibiotics, contain one or more thioether bridges. However, these modifications complicate the structural elucidation of these bacteriocins using conventional techniques. This review will discuss the techniques and strategies that have been applied to determine the primary structures of lantibiotics and sactibiotics. A major challenge is to identify the topology of thioether bridges in these peptides (i.e., which amino-acid residues are involved in which bridges). Edman degradation, NMR spectroscopy and tandem MS have all been commonly applied to characterize these bacteriocins, but can be incompatible with the post-translational modifications present. Chemical modifications to the modified residues, such as desulfurization and reduction, make the treated bacteriocins more compatible to analysis by these standard peptide analytical techniques. Despite their differences in structure, similar strategies have proved useful to study the structures of both lantibiotics and sactibiotics.

  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. 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.

  18. Detailed histological structure of human hair follicle bulge region at different ages: a visible niche for nesting adult stem cells.

    PubMed

    Wang, Xiong; Shi, Ying; Zhou, Qiong; Liu, Xiaoming; Xu, Shizheng; Lei, Tiechi

    2012-10-01

    In the bulge region of the hair follicle, a densely and concentrically packed cell mass is encircled by the arrector pili muscle (APM), which offers a specilized microenvironment (niche) for housing heterogeneous adult stem cells. However, the detailed histological architecture and the cellular composition of the bulge region warrants intensive study and may have implications for the regulation of hair follicle growth regulation. This study was designed to define the gene-expression profiles of putative stem cells and lineage-specific precursors in the mid-portions of plucked hair follicles prepared according to the presence of detectable autofluorescence. The structure was also characterized by using a consecutive sectioning technique. The bulge region of the hair follicle with autofluorescence was precisely excised by employing a micro-dissection procedure. Semi-quantitative reverse transcription polymerase chain reaction (RT-PCR) was performed to identify the gene expression profiles specific for epithelial, melanocyte and stromal stem cells in the bulge region of the hair follicle visualized by autofluorescence. The morphology and its age-dependent changes of bulge region of the hair follicles with autofluorescence segment were also examined in 9 scalp skin specimens collected from patients aged 30 weeks to 75 years, by serial sectioning and immuno-staining. Gene expression profile analysis revealed that there were cells with mRNA transcripts of Dct(Hi)Tyrase(Lo)-Tyrp1(Lo)MC1R(Lo)MITF(Lo)/K15(Hi)/NPNT(Hi) in the bulge region of the hair follicle with autofluorescence segments, which differed from the patterns in hair bulbs. Small cell-protrusions that sprouted from the outer root sheath (ORS) were clearly observed at the APM inserting level in serial sections of hair follicles by immunohistological staining, which were characteristically replete with K15+/K19+expressing cells. Likewise, the muscle bundles of APM positive for smooth muscle actin intimately

  19. 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

  20. Beta environmental fine structure characterization of defects

    NASA Astrophysics Data System (ADS)

    Benedek, G.; Fiorini, E.; Giuliani, A.; Milani, P.; Monfardini, A.; Nucciotti, A.; Prandoni, M. L.; Sancrotti, M.

    1999-04-01

    The fine structure of beta emission (BEFS) due to the interference with the scattered waves from neighboring atoms, analogous to EXAFS, is known to produce oscillations in the Kurie plot. Here we suggest the use of BEFS for characterizing the lattice environment of β-emitting defects located at a distance from the crystal surface not exceeding the mean free path of β-electrons. Examples of defective structures in semiconductors whose atomic arrangement could be conveniently studied with BEFS are tritium-passivated dangling bonds, β-radioactive ions implanted in the crystal lattice or segregated at extended defects such as dislocations, grain boundaries or radiation damage. Also 14C-doped diamond-like materials and other exotic carbon forms, as well as the atomic environment of ions in metal alloys could be good candidate for BEFS. In this work we have calculated the fractional BEFS modulation for 187Re in its ordinary hcp crystal lattice for which experimental data by Cosulich et al. are available. The good correspondence between theory and experiment permits to conclude that BEFS experiments at low temperature are accessible to the present bolometric detection techniques and can provide an expedient method, as compared to EXAFS, for an accurate structural assessment of extended defects in solids.

  1. Characterization of Imposed Ordered Structures in MDPX

    NASA Astrophysics Data System (ADS)

    Hall, Taylor; Thomas, Edward; Konopka, Uwe; Merlino, Robert; Rosenberg, Marlene

    2016-10-01

    It is well understood that the microparticles in complex, or dusty, plasmas will form self-consistent crystalline patterns at the proper plasma parameters. In the Magnetized Dusty Plasma Experiment (MDPX) device, studies have been made of imposed, ordered structuring of the dust particles to a two dimensional grid. At high magnetic field (B >1 Tesla), the dust particles are shown to become spatially oriented to the structure of a wire mesh embedded in an electrically floating, upper electrode while the particles are suspended in a plasma that is generated by the powered, lower electrode in the experiment. With even higher magnetic field (B >2 Tesla), the particles become strongly confined to the mesh pattern with the particles constrained to a quasi-discreet motion that closely follows the mesh pattern. This presentation characterizes the structure of the potential energy well in which the dust particles are trapped through observation of particle motion and measurement of the thermal properties of the particles. This work is supported by funding from the U. S. Department of Energy Grant Number DE - SC0010485 and the NASA/Jet Propulsion Laboratory, JPL-1543114.

  2. 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.

  3. Details of Resonant Structures within a Nice Model Kuiper Belt: Predictions for High-perihelion TNO Detections

    NASA Astrophysics Data System (ADS)

    Pike, R. E.; Lawler, S. M.

    2017-10-01

    We analyze a detailed Nice model simulation of Kuiper Belt emplacement from Brasser & Morbidelli, where Neptune undergoes a high-eccentricity phase and migrates outward. In this work, which follows from Pike et al., we specifically focus on the details of structures within Neptune’s mean-motion resonances and in the high-pericenter population of simulated trans-Neptunian objects (TNOs). We find several characteristics of these populations that should be observable in the distant solar system in future large-scale TNO surveys as a diagnostic of whether or not this mode of Neptune migration occurred in the early solar system. We find that the leading asymmetric libration islands of the n:1 resonances are generally much more populated than the trailing islands. We also find the nonresonant high-q population of TNOs should have higher inclinations than the low-q population due to the importance of Kozai cycling during their emplacement histories. Finally, high-q TNOs should be present in roughly equal numbers on either side of distant mean-motion resonances. These predictions contrast with predictions from other Kuiper Belt emplacement simulations and will be testable by upcoming surveys.

  4. 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.

  5. Structural Characterization of Chitosan-Clay Nanocomposite

    NASA Astrophysics Data System (ADS)

    Paluszkiewicz, C.; Weselucha-Birczynska, A.; Stodolak, E.

    2010-08-01

    Novel materials originating from renowable sources mainly consist of biopolymers and their composites or nanocomposites. A typical material belonging to this group is chitosane (CS), which is a cationic natural polysaccharide that can be produced by alkaline N-deacetylation of chitine. Chitosane has a variety of applications in biomedical products, cosmetics, and food processing [1, 2].Organic-inorganic hybrid materials basing on chitosane and nanoclay (montmoryllonite, MMT) were characterized by the vibrational spectrocopy methods (Micro-Raman spectroscopy and FT-Raman spectroscopy) and the thermal analysis methods (TG, DSC). It was shown, that small amount on a nanofiller (MMT, 3 wt.%) used to modify the polymer matrix influences the structure of its polymeric chains.

  6. 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.

  7. Electro-mechanical characterization of structural supercapacitors

    NASA Astrophysics Data System (ADS)

    Gallagher, T.; LaMaster, D.; Ciocanel, C.; Browder, C.

    2012-04-01

    The paper presents electrical and mechanical properties of structural supercapacitors and discusses limitations associated with the approach taken for the electrical properties evaluation. The structural supercapacitors characterized in this work had the electrodes made of carbon fiber weave, separator made of several cellulose based products, and the solid electrolyte made as PEGDGE based polymer blend. The reported electrical properties include capacitance and leakage resistance; the former was measured using cyclic voltammetry. Mechanical properties have been evaluated thorough tensile and three point bending tests performed on structural supercapacitor coupons. The results indicate that the separator material plays an important role on the electrical as well as mechanical properties of the structural capacitor, and that Celgard 3501 used as separator leads to most benefits for both mechanical and electrical properties. Specific capacitance and leakage resistance as high as 1.4kF/m3 and 380kΩ, respectively, were achieved. Two types of solid polymer electrolytes were used in fabrication, with one leading to higher and more consistent leakage resistance values at the expense of a slight decrease in specific capacitance when compared to the other SPE formulation. The ultimate tensile strength and modulus of elasticity of the developed power storage composite were evaluated at 466MPa and 18.9MPa, respectively. These values are 58% and 69% of the tensile strength and modulus of elasticity values measured for a single layer composite material made with the same type of carbon fiber and with a West System 105 epoxy instead of solid polymer electrolyte.

  8. Coupling a distributed hydrological model with detailed forest structural information for large-scale global change impact assessment

    NASA Astrophysics Data System (ADS)

    Eisner, Stephanie; Huang, Shaochun; Majasalmi, Titta; Bright, Ryan; Astrup, Rasmus; Beldring, Stein

    2017-04-01

    Forests are recognized for their decisive effect on landscape water balance with structural forest characteristics as stand density or species composition determining energy partitioning and dominant flow paths. However, spatial and temporal variability in forest structure is often poorly represented in hydrological modeling frameworks, in particular in regional to large scale hydrological modeling and impact analysis. As a common practice, prescribed land cover classes (including different generic forest types) are linked to parameter values derived from literature, or parameters are determined by calibration. While national forest inventory (NFI) data provide comprehensive, detailed information on hydrologically relevant forest characteristics, their potential to inform hydrological simulation over larger spatial domains is rarely exploited. In this study we present a modeling framework that couples the distributed hydrological model HBV with forest structural information derived from the Norwegian NFI and multi-source remote sensing data. The modeling framework, set up for the entire of continental Norway at 1 km spatial resolution, is explicitly designed to study the combined and isolated impacts of climate change, forest management and land use change on hydrological fluxes. We use a forest classification system based on forest structure rather than biomes which allows to implicitly account for impacts of forest management on forest structural attributes. In the hydrological model, different forest classes are represented by three parameters: leaf area index (LAI), mean tree height and surface albedo. Seasonal cycles of LAI and surface albedo are dynamically simulated to make the framework applicable under climate change conditions. Based on a hindcast for the pilot regions Nord-Trøndelag and Sør-Trøndelag, we show how forest management has affected regional hydrological fluxes during the second half of the 20th century as contrasted to climate variability.

  9. Structural Characterization of Core Region in Erwinia amylovora Lipopolysaccharide

    PubMed Central

    Casillo, Angela; Ziaco, Marcello; Lindner, Buko; Merino, Susana; Mendoza-Barberá, Elena; Tomás, Juan M.; Corsaro, Maria Michela

    2017-01-01

    Erwinia amylovora (E. amylovora) is the first bacterial plant pathogen described and demonstrated to cause fire blight, a devastating plant disease affecting a wide range of species including a wide variety of Rosaceae. In this study, we reported the lipopolysaccharide (LPS) core structure from E. amylovora strain CFBP1430, the first one for an E. amylovora highly pathogenic strain. The chemical characterization was performed on the mutants waaL (lacking only the O-antigen LPS with a complete LPS-core), wabH and wabG (outer-LPS core mutants). The LPSs were isolated from dry cells and analyzed by means of chemical and spectroscopic methods. In particular, they were subjected to a mild acid hydrolysis and/or a hydrazinolysis and investigated in detail by one and two dimensional Nuclear Magnetic Resonance (NMR) spectroscopy and ElectroSpray Ionization Fourier Transform-Ion Cyclotron Resonance (ESI FT-ICR) mass spectrometry. PMID:28273861

  10. Characterizing the structure of topological insulator thin films

    SciTech Connect

    Richardella, Anthony; Kandala, Abhinav; Lee, Joon Sue; Samarth, Nitin

    2015-08-01

    We describe the characterization of structural defects that occur during molecular beam epitaxy of topological insulator thin films on commonly used substrates. Twinned domains are ubiquitous but can be reduced by growth on smooth InP (111)A substrates, depending on details of the oxide desorption. Even with a low density of twins, the lattice mismatch between (Bi, Sb){sub 2}Te{sub 3} and InP can cause tilts in the film with respect to the substrate. We also briefly discuss transport in simultaneously top and back electrically gated devices using SrTiO{sub 3} and the use of capping layers to protect topological insulator films from oxidation and exposure.

  11. Structural Characterization of Core Region in Erwinia amylovora Lipopolysaccharide.

    PubMed

    Casillo, Angela; Ziaco, Marcello; Lindner, Buko; Merino, Susana; Mendoza-Barberá, Elena; Tomás, Juan M; Corsaro, Maria Michela

    2017-03-04

    Erwinia amylovora (E. amylovora) is the first bacterial plant pathogen described and demonstrated to cause fire blight, a devastating plant disease affecting a wide range of species including a wide variety of Rosaceae. In this study, we reported the lipopolysaccharide (LPS) core structure from E. amylovora strain CFBP1430, the first one for an E. amylovora highly pathogenic strain. The chemical characterization was performed on the mutants waaL (lacking only the O-antigen LPS with a complete LPS-core), wabH and wabG (outer-LPS core mutants). The LPSs were isolated from dry cells and analyzed by means of chemical and spectroscopic methods. In particular, they were subjected to a mild acid hydrolysis and/or a hydrazinolysis and investigated in detail by one and two dimensional Nuclear Magnetic Resonance (NMR) spectroscopy and ElectroSpray Ionization Fourier Transform-Ion Cyclotron Resonance (ESI FT-ICR) mass spectrometry.

  12. 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.

  13. Structural characterization of submerged granular packings

    NASA Astrophysics Data System (ADS)

    Jakšić, Z. M.; Šćepanović, J. R.; Lončarević, I.; Budinski-Petković, Lj.; Vrhovac, S. B.; Belić, A.

    2014-12-01

    We consider the impact of the effective gravitational acceleration on microstructural properties of granular packings through experimental studies of spherical granular materials saturated within fluids of varying density. We characterize the local organization of spheres in terms of contact connectivity, distribution of the Delaunay free volumes, and the shape factor (parameter of nonsphericity) of the Voronoï polygons. The shape factor gives a clear physical picture of the competition between less and more ordered domains of particles in experimentally obtained packings. As the effective gravity increases, the probability distribution of the shape factor becomes narrower and more localized around the lowest values of the shape factor corresponding to regular hexagon. It is found that curves of the pore distributions are asymmetric with a long tail on the right-hand side, which progressively reduces while the effective gravity gets stronger for lower densities of interstitial fluid. We show that the distribution of local areas (Voronoï cells) broadens with decreasing value of the effective gravity due to the formation of lose structures such as large pores and chainlike structures (arches or bridges). Our results should be particularly helpful in testing the newly developed simulation techniques involving liquid-related forces associated with immersed granular particles.

  14. Structural characterization of submerged granular packings.

    PubMed

    Jakšić, Z M; Šćepanović, J R; Lončarević, I; Budinski-Petković, Lj; Vrhovac, S B; Belić, A

    2014-12-01

    We consider the impact of the effective gravitational acceleration on microstructural properties of granular packings through experimental studies of spherical granular materials saturated within fluids of varying density. We characterize the local organization of spheres in terms of contact connectivity, distribution of the Delaunay free volumes, and the shape factor (parameter of nonsphericity) of the Voronoï polygons. The shape factor gives a clear physical picture of the competition between less and more ordered domains of particles in experimentally obtained packings. As the effective gravity increases, the probability distribution of the shape factor becomes narrower and more localized around the lowest values of the shape factor corresponding to regular hexagon. It is found that curves of the pore distributions are asymmetric with a long tail on the right-hand side, which progressively reduces while the effective gravity gets stronger for lower densities of interstitial fluid. We show that the distribution of local areas (Voronoï cells) broadens with decreasing value of the effective gravity due to the formation of lose structures such as large pores and chainlike structures (arches or bridges). Our results should be particularly helpful in testing the newly developed simulation techniques involving liquid-related forces associated with immersed granular particles.

  15. 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.

  16. 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

  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. 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.

  19. Detection and Characterization of R Loop Structures.

    PubMed

    Boque-Sastre, Raquel; Soler, Marta; Guil, Sonia

    2017-01-01

    R loops are special three stranded nucleic acid structures that comprise a nascent RNA hybridized with the DNA template strand, leaving a non-template DNA single-stranded. More specifically, R loops form in vivo as G-rich RNA transcripts invade the DNA duplex and anneal to the template strand to generate an RNA:DNA hybrid, leaving the non-template, G-rich DNA strand in a largely single-stranded conformation (Aguilera and Garcia-Muse, Mol Cell 46:115-124, 2012).DNA-RNA hybrids are a natural occurrence within eukaryotic cells, with levels of these hybrids increasing at sites with high transcriptional activity, such as during transcription initiation, repression, and elongation. RNA-DNA hybrids influence genomic instability, and growing evidence points to an important role for R loops in active gene expression regulation (Ginno et al., Mol Cell 45, 814-825, 2012; Sun et al., Science 340: 619-621, 2013; Bhatia et al., Nature 511, 362-365, 2014). Analysis of the occurrence of such structures is therefore of increasing relevance and herein we describe methods for the in vivo and in vitro identification and characterization of R loops in mammalian systems.R loops (DNA:RNA hybrids and the associated single-stranded DNA) have been traditionally associated with threats to genome integrity, making some regions of the genome more prone to DNA-damaging and mutagenic agents. Initially considered to be rare byproducts of transcription, over the last decade accumulating evidence has pointed to a new view in which R loops form more frequently than previously thought. The R loop field has become an increasingly expanded area of research, placing these structures as a major threat to genome stability but also as potential regulators of gene expression. Special interest has arisen as they have also been linked to a variety of diseases, including neurological disorders and cancer, positioning them as potential therapeutic targets [5].

  20. 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.

  1. Structurally detailed coarse-grained model for Sec-facilitated co-translational protein translocation and membrane integration

    PubMed Central

    Miller, Thomas F.

    2017-01-01

    We present a coarse-grained simulation model that is capable of simulating the minute-timescale dynamics of protein translocation and membrane integration via the Sec translocon, while retaining sufficient chemical and structural detail to capture many of the sequence-specific interactions that drive these processes. The model includes accurate geometric representations of the ribosome and Sec translocon, obtained directly from experimental structures, and interactions parameterized from nearly 200 μs of residue-based coarse-grained molecular dynamics simulations. A protocol for mapping amino-acid sequences to coarse-grained beads enables the direct simulation of trajectories for the co-translational insertion of arbitrary polypeptide sequences into the Sec translocon. The model reproduces experimentally observed features of membrane protein integration, including the efficiency with which polypeptide domains integrate into the membrane, the variation in integration efficiency upon single amino-acid mutations, and the orientation of transmembrane domains. The central advantage of the model is that it connects sequence-level protein features to biological observables and timescales, enabling direct simulation for the mechanistic analysis of co-translational integration and for the engineering of membrane proteins with enhanced membrane integration efficiency. PMID:28328943

  2. Antifreeze (glyco)protein mimetic behavior of poly(vinyl alcohol): detailed structure ice recrystallization inhibition activity study.

    PubMed

    Congdon, Thomas; Notman, Rebecca; Gibson, Matthew I

    2013-05-13

    This manuscript reports a detailed study on the ability of poly(vinyl alcohol) to act as a biomimetic surrogate for antifreeze(glyco)proteins, with a focus on the specific property of ice-recrystallization inhibition (IRI). Despite over 40 years of study, the underlying mechanisms that govern the action of biological antifreezes are still poorly understood, which is in part due to their limited availability and challenging synthesis. Poly(vinyl alcohol) (PVA) has been shown to display remarkable ice recrystallization inhibition activity despite its major structural differences to native antifreeze proteins. Here, controlled radical polymerization is used to synthesize well-defined PVA, which has enabled us to obtain the first quantitative structure-activity relationships, to probe the role of molecular weight and comonomers on IRI activity. Crucially, it was found that IRI activity is "switched on" when the polymer chain length increases from 10 and 20 repeat units. Substitution of the polymer side chains with hydrophilic or hydrophobic units was found to diminish activity. Hydrophobic modifications to the backbone were slightly more tolerated than side chain modifications, which implies an unbroken sequence of hydroxyl units is necessary for activity. These results highlight that, although hydrophobic domains are key components of IRI activity, the random inclusion of addition hydrophobic units does not guarantee an increase in activity and that the actual polymer conformation is important.

  3. Detailed Structural and Quantitative Analysis Reveals the Spatial Organization of the Cell Walls of in Vivo Grown Mycobacterium leprae and in Vitro Grown Mycobacterium tuberculosis*

    PubMed Central

    Bhamidi, Suresh; Scherman, Michael S.; Jones, Victoria; Crick, Dean C.; Belisle, John T.; Brennan, Patrick J.; McNeil, Michael R.

    2011-01-01

    The cell wall of mycobacteria consists of an outer membrane, analogous to that of Gram-negative bacteria, attached to the peptidoglycan (PG) via a connecting polysaccharide arabinogalactan (AG). Although the primary structure of these components is fairly well deciphered, issues such as the coverage of the PG layer by covalently attached mycolates in the outer membrane and the spatial details of the mycolic acid attachment to the arabinan have remained unknown. It is also not understood how these components work together to lead to the classical acid-fast staining of mycobacteria. Because the majority of Mycobacterium tuberculosis bacteria in established experimental animal infections are acid-fast negative, clearly cell wall changes are occurring. To address both the spatial properties of mycobacterial cell walls and to begin to study the differences between bacteria grown in animals and cultures, the cell walls of Mycobacterium leprae grown in armadillos was characterized and compared with that of M. tuberculosis grown in culture. Most fundamentally, it was determined that the cell wall of M. leprae contained significantly more mycolic acids attached to PG than that of in vitro grown M. tuberculosis (mycolate:PG ratios of 21:10 versus 16:10, respectively). In keeping with this difference, more arabinogalactan (AG) molecules, linking the mycolic acids to PG, were found. Differences in the structures of the AG were also found; the AG of M. leprae is smaller than that of M. tuberculosis, although the same basic structural motifs are retained. PMID:21555513

  4. Detailed structural and quantitative analysis reveals the spatial organization of the cell walls of in vivo grown Mycobacterium leprae and in vitro grown Mycobacterium tuberculosis.

    PubMed

    Bhamidi, Suresh; Scherman, Michael S; Jones, Victoria; Crick, Dean C; Belisle, John T; Brennan, Patrick J; McNeil, Michael R

    2011-07-01

    The cell wall of mycobacteria consists of an outer membrane, analogous to that of gram-negative bacteria, attached to the peptidoglycan (PG) via a connecting polysaccharide arabinogalactan (AG). Although the primary structure of these components is fairly well deciphered, issues such as the coverage of the PG layer by covalently attached mycolates in the outer membrane and the spatial details of the mycolic acid attachment to the arabinan have remained unknown. It is also not understood how these components work together to lead to the classical acid-fast staining of mycobacteria. Because the majority of Mycobacterium tuberculosis bacteria in established experimental animal infections are acid-fast negative, clearly cell wall changes are occurring. To address both the spatial properties of mycobacterial cell walls and to begin to study the differences between bacteria grown in animals and cultures, the cell walls of Mycobacterium leprae grown in armadillos was characterized and compared with that of M. tuberculosis grown in culture. Most fundamentally, it was determined that the cell wall of M. leprae contained significantly more mycolic acids attached to PG than that of in vitro grown M. tuberculosis (mycolate:PG ratios of 21:10 versus 16:10, respectively). In keeping with this difference, more arabinogalactan (AG) molecules, linking the mycolic acids to PG, were found. Differences in the structures of the AG were also found; the AG of M. leprae is smaller than that of M. tuberculosis, although the same basic structural motifs are retained.

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

    PubMed

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

    2015-07-01

    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. 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. Freely available on the web at http://www.vivanbioinfo.org : nshomron@post.tau.ac.il Supplementary data are available at Bioinformatics online. © The Author 2015. Published by Oxford University Press.

  6. 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.

  7. 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.

  8. 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. Copyright © 2016 Elsevier Ltd. All rights reserved.

  9. A detailed model for high-frequency impedance characterization of ovarian cancer epithelial cell layer using ECIS electrodes.

    PubMed

    Rahman, Abdur Rub Abdur; Lo, Chun-Min; Bhansali, Shekhar

    2009-02-01

    We report on the electrical impedance spectroscopy characterization of OVCA429 ovarian cancer cells. A commercially available eight-well cell culture impedance array (ECIS-8W1E), commonly used in electrical cell-substrate impedance sensing (ECIS), was used for OVCA429 characterization. Impedances of ECIS-8W1E array were recorded with cell culture medium (without cells) and with OVCA429 cell layer in the culture medium between 100 Hz and 10 MHz frequency. Physiological and interfacial components of experimental impedance data were modeled by equivalent circuit fitting, using a newly developed model. Impedance measurements with cell culture medium show only two semicircles in the admittance plane, which are identified as: 1) low-frequency semicircle due to impedance of gold electrode in contact with the electrolyte and 2) high-frequency semicircle due to impedance of polymer-coated region of the gold electrode in contact with the electrolyte. In the presence of OVCA429 cell layer, three convolved semicircles are observed in the Cole-Cole plane, which are identified as the interfacial impedance in series with the cell layer impedance. The average resistance and capacitance of the OVCA429 cell layer was found to be 152+/-59 ohm x cm(2) and 8.5+/-2.4 microF/cm(2), respectively.

  10. CHARACTERIZING THE CHEMISTRY OF THE MILKY WAY STELLAR HALO: DETAILED CHEMICAL ANALYSIS OF A METAL-POOR STELLAR STREAM ,

    SciTech Connect

    Roederer, Ian U.; Sneden, Christopher; Thompson, Ian B.; Preston, George W.; Shectman, Stephen A.

    2010-03-10

    We present the results of a detailed abundance analysis of one of the confirmed building blocks of the Milky Way stellar halo, a kinematically coherent metal-poor stellar stream. We have obtained high-resolution and high signal-to-noise spectra of 12 probable stream members using the Magellan Inamori Kyocera Echelle spectrograph on the Magellan-Clay Telescope at Las Campanas Observatory and the 2dCoude spectrograph on the Smith Telescope at McDonald Observatory. We have derived abundances or upper limits for 51 species of 46 elements in each of these stars. The stream members show a range of metallicity (-3.4 < [Fe/H] <-1.5) but are otherwise chemically homogeneous, with the same star-to-star dispersion in [X/Fe] as the rest of the halo. This implies that, in principle, a significant fraction of the Milky Way stellar halo could have formed from accreted systems like the stream. The stream stars show minimal evolution in the alpha or Fe-group elements over the range of metallicity. This stream is enriched with material produced by the main and weak components of the rapid neutron-capture process and shows no evidence for enrichment by the slow neutron-capture process.

  11. A survey of molecular details in the human pineal gland in the light of phylogeny, structure, function and chronobiological diseases.

    PubMed

    Stehle, Jörg H; Saade, Anastasia; Rawashdeh, Oliver; Ackermann, Katrin; Jilg, Antje; Sebestény, Tamás; Maronde, Erik

    2011-08-01

    The human pineal gland is a neuroendocrine transducer that forms an integral part of the brain. Through the nocturnally elevated synthesis and release of the neurohormone melatonin, the pineal gland encodes and disseminates information on circadian time, thus coupling the outside world to the biochemical and physiological internal demands of the body. Approaches to better understand molecular details behind the rhythmic signalling in the human pineal gland are limited but implicitly warranted, as human chronobiological dysfunctions are often associated with alterations in melatonin synthesis. Current knowledge on melatonin synthesis in the human pineal gland is based on minimally invasive analyses, and by the comparison of signalling events between different vertebrate species, with emphasis put on data acquired in sheep and other primates. Together with investigations using autoptic pineal tissue, a remnant silhouette of premortem dynamics within the hormone's biosynthesis pathway can be constructed. The detected biochemical scenario behind the generation of dynamics in melatonin synthesis positions the human pineal gland surprisingly isolated. In this neuroendocrine brain structure, protein-protein interactions and nucleo-cytoplasmic protein shuttling indicate furthermore a novel twist in the molecular dynamics in the cells of this neuroendocrine brain structure. These findings have to be seen in the light that an impaired melatonin synthesis is observed in elderly and/or demented patients, in individuals affected by Alzheimer's disease, Smith-Magenis syndrome, autism spectrum disorder and sleep phase disorders. Already, recent advances in understanding signalling dynamics in the human pineal gland have significantly helped to counteract chronobiological dysfunctions through a proper restoration of the nocturnal melatonin surge.

  12. Assembly dynamics and detailed structure of 1-propanethiol monolayers on Au(111) surfaces observed real time by in situ STM.

    PubMed

    Zhang, Jingdong; Chi, Qijin; Ulstrup, Jens

    2006-07-04

    1-Propanethiol is chosen as a model alkanethiol to probe detailed mechanisms of the self-assembled monolayer (SAM) formation at aqueous/Au(111) interfaces. The assembly processes, including initial physi- and chemisorption, pit formation, and domain growth, were recorded into movies in real-time with high resolution by in situ scanning tunneling microscopy (STM) under potential control. Two major adsorption steps were disclosed in the propanethiol SAM formation. The first step involves weak interactions accompanied by the lift of the Au(111) surface reconstruction, which depends reversibly on the electrochemical potentials. The second step is chemisorption to form a dense monolayer, accompanied by formation of pits as well as structural changes in the terrace edges. Pits emerged at the stage of the reconstruction lift and increased to a maximum surface coverage of 4.0 +/- 0.4% at the completion of the SAM formation. Well-defined triangular pits in the SAM were found on the large terraces (more than 300 nm wide), whereas few and small pinholes appeared at the terrace edge areas. Smooth edges were converted into saw-like structural features during the SAM formation, primarily along the Au(111) atomic rows. These observations suggest that shrinking and rearrangement of gold atoms are responsible for both formation of the pits and the shape changes of the terrace edges. STM images disclose a (2 square root 3 x 3)R30 degrees periodic lattice within the ordered domains. Along with electrochemical measurements, each lattice unit is assigned to contain four propanethiol molecules exhibiting different electronic contrasts, which might originate in different surface orientations of the adsorbed molecules.

  13. The use of calorimetry in the biophysical characterization of small molecule alkaloids binding to RNA structures.

    PubMed

    Kumar, Gopinatha Suresh; Basu, Anirban

    2016-05-01

    RNA has now emerged as a potential target for therapeutic intervention. RNA targeted drug design requires detailed thermodynamic characterization that provides new insights into the interactions and this together with structural data, may be used in rational drug design. The use of calorimetry to characterize small molecule-RNA interactions has emerged as a reliable and sensitive tool after the recent advancements in biocalorimetry. This review summarizes the recent advancements in thermodynamic characterization of small molecules, particularly some natural alkaloids binding to various RNA structures. Thermodynamic characterization provides information that can supplement structural data leading to more effective drug development protocols. This review provides a concise report on the use of isothermal titration calorimetry (ITC) and differential scanning calorimetry (DSC) techniques in characterizing small molecules, mostly alkaloids-RNA interactions with particular reference to binding of tRNA, single stranded RNA, double stranded RNA, poly(A), triplex RNA. It is now apparent that a combination of structural and thermodynamic data is essential for rational design of specific RNA targeted drugs. Recent advancements in biocalorimetry instrumentation have led to detailed understanding of the thermodynamics of small molecules binding to various RNA structures paving the path for the development of many new natural and synthetic molecules as specific binders to various RNA structures. RNA targeted drug design, that remained unexplored, will immensely benefit from the calorimetric studies leading to the development of effective drugs for many diseases. Copyright © 2015 Elsevier B.V. All rights reserved.

  14. 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.

  15. 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.

  16. Detailed immunohistochemical characterization of temporal and spatial progression of Alzheimer's disease-related pathologies in male triple-transgenic mice

    PubMed Central

    Mastrangelo, Michael A; Bowers, William J

    2008-01-01

    Background Several transgenic animal models genetically predisposed to develop Alzheimer's disease (AD)-like pathology have been engineered to facilitate the study of disease pathophysiology and the vetting of potential disease-modifying therapeutics. The triple transgenic mouse model of AD (3xTg-AD) harbors three AD-related genetic loci: human PS1M146V, human APPswe, and human tauP301L. These mice develop both amyloid plaques and neurofibrillary tangle-like pathology in a progressive and age-dependent manner, while these pathological hallmarks are predominantly restricted to the hippocampus, amygdala, and the cerebral cortex the main foci of AD neuropathology in humans. This model represents, at present, one of the most advanced preclinical tools available and is being employed ever increasingly in the study of mechanisms underlying AD, yet a detailed regional and temporal assessment of the subtleties of disease-related pathologies has not been reported. Methods and results In this study, we immunohistochemically documented the evolution of AD-related transgene expression, amyloid deposition, tau phosphorylation, astrogliosis, and microglial activation throughout the hippocampus, entorhinal cortex, primary motor cortex, and amygdala over a 26-month period in male 3xTg-AD mice. Intracellular amyloid-beta accumulation is detectable the earliest of AD-related pathologies, followed temporally by phospho-tau, extracellular amyloid-beta, and finally paired helical filament pathology. Pathology appears to be most severe in medial and caudal hippocampus. While astrocytic staining remains relatively constant at all ages and regions assessed, microglial activation appears to progressively increase temporally, especially within the hippocampal formation. Conclusion These data fulfill an unmet need in the ever-widening community of investigators studying 3xTg-AD mice and provide a foundation upon which to design future experiments that seek to examine stage-specific disease

  17. Th-substituted SmFeAsO: Structural details and superconductivity with Tc above 50 K

    NASA Astrophysics Data System (ADS)

    Zhigadlo, N. D.; Katrych, S.; Weyeneth, S.; Puzniak, R.; Moll, P. J. W.; Bukowski, Z.; Karpinski, J.; Keller, H.; Batlogg, B.

    2010-08-01

    We report structural, magnetic, and transport properties of polycrystalline samples and single crystals of superconducting Sm1-xThxFeAsO with maximal Tc above 50 K, prepared under high pressure. Bulk superconducting samples do not undergo a structural phase transition from tetragonal to orthorhombic symmetry at low temperatures. The unit-cell parameters a and c shrink with Th substitution and the fractional atomic coordinate of the As site zAs remains almost unchanged while that of Sm/Th zSm/Th increases. Upon warming from 5 to 295 K the increase in the FeAs layer thickness is dominant, while the changes in the other structural building blocks are minor, and they compensate each other, since the As-Sm/Th distance contracts by about the same amount as the O-Sm/Th expands. The polycrystalline and single-crystalline samples are characterized by a full diamagnetic response in low magnetic field, by a high intergrain critical current density for polycrystalline samples, and by a critical current density on the order of 8×105A/cm2 for single crystals at 2 K in fields up to 7 T. The magnetic penetration depth anisotropy γλ increases with decreasing temperature, in a similar way to that of SmFeAsO1-xFy single crystals. The upper critical field estimated from resistance measurements is anisotropic with slopes of ˜5.4T/K ( H∥ab plane) and ˜2.7T/K ( H∥c axis), at temperatures sufficiently far below Tc . The low-temperature upper critical field anisotropy γH is in the range of ˜2 , consistent with the tendency of a decreasing γH with decreasing temperature, previously reported for SmFeAsO1-xFy single crystals.

  18. 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

  19. 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.

  20. 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

  1. Detailed characterization of multiple myeloma circulating tumor cells shows unique phenotypic, cytogenetic, functional, and circadian distribution profile.

    PubMed

    Paiva, Bruno; Paino, Teresa; Sayagues, Jose-Maria; Garayoa, Mercedes; San-Segundo, Laura; Martín, Montserrat; Mota, Ines; Sanchez, María-Luz; Bárcena, Paloma; Aires-Mejia, Irene; Corchete, Luis; Jimenez, Cristina; Garcia-Sanz, Ramon; Gutierrez, Norma C; Ocio, Enrique M; Mateos, Maria-Victoria; Vidriales, Maria-Belen; Orfao, Alberto; San Miguel, Jesús F

    2013-11-21

    Circulating myeloma tumor cells (CTCs) as defined by the presence of peripheral blood (PB) clonal plasma cells (PCs) are a powerful prognostic marker in multiple myeloma (MM). However, the biological features of CTCs and their pathophysiological role in MM remains unexplored. Here, we investigate the phenotypic, cytogenetic, and functional characteristics as well as the circadian distribution of CTCs vs paired bone marrow (BM) clonal PCs from MM patients. Our results show that CTCs typically represent a unique subpopulation of all BM clonal PCs, characterized by downregulation (P < .05) of integrins (CD11a/CD11c/CD29/CD49d/CD49e), adhesion (CD33/CD56/CD117/CD138), and activation molecules (CD28/CD38/CD81). Fluorescence in situ hybridization analysis of fluorescence-activated cell sorter-sorted CTCs also unraveled different cytogenetic profiles vs paired BM clonal PCs. Moreover, CTCs were mostly quiescent and associated with higher clonogenic potential when cocultured with BM stromal cells. Most interestingly, CTCs showed a circadian distribution which fluctuates in a similar pattern to that of CD34(+) cells, and opposite to stromal cell-derived factor 1 plasma levels and corresponding surface expression of CXC chemokine receptor 4 on clonal PCs, suggesting that in MM, CTCs may egress to PB to colonize/metastasize other sites in the BM during the patients' resting period.

  2. A Detailed Protocol for Characterizing the Murine C1498 Cell Line and its Associated Leukemia Mouse Model

    PubMed Central

    Mopin, Alexia; Driss, Virginie; Brinster, Carine

    2016-01-01

    The intravenous injection of C1498 cells into syngeneic or congenic mice has been performed since 1941. These injections result in the development of acute leukemia. However, the nature of this disease has not been well documented in the literature. Here, we provide a technical protocol for characterizing C1498 cells in vitro and for determining the nature of the induced leukemia in vivo. The first part of this procedure is focused on determining the hematopoietic lineage and the stage of differentiation of cultured C1498 cells. To achieve this, multi-parametric flow cytometric staining is used to detect hematopoietic cell markers. Immunofluorescence microscopy, cytochemistry and a May-Grünwald Giemsa staining are then performed to assess the expression of myeloperoxidase, the activity of esterases and cellular morphology, respectively. The second part of this protocol is dedicated to describing the leukemia disease that is induced in vivo. The latter can be achieved by determining the frequencies of leukemic and inherent cells in the blood, hematopoietic organs (e.g., bone marrow and spleen) and non-lymphoid tissues (e.g., the liver and lungs) using specific staining and flow cytometry analyses. The nature of the leukemia is then confirmed using May-Grünwald Giemsa staining and staining for specific esterases in the bone marrow. Here, we present the results that were obtained using this protocol in age-matched C1498- and PBS-injected mice. PMID:27768040

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

    USDA-ARS?s Scientific Manuscript database

    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. Characterization of genomic imbalances in diffuse large B-cell lymphoma by detailed SNP-chip analysis.

    PubMed

    Scholtysik, René; Kreuz, Markus; Hummel, Michael; Rosolowski, Maciej; Szczepanowski, Monika; Klapper, Wolfram; Loeffler, Markus; Trümper, Lorenz; Siebert, Reiner; Küppers, Ralf

    2015-03-01

    The pathogenesis of diffuse large B-cell lymphomas (DLBCL) is only partly understood. We analyzed 148 DLBCL by single nucleotide polymorphism (SNP)-chips to characterize genomic imbalances. Seventy-nine cases were of the germinal center B-cell like (GCB) type of DLBCL, 49 of the activated B-cell like (ABC) subtype and 20 were unclassified DLBCL. Twenty-four regions of recurrent genomic gains and 38 regions of recurrent genomic losses were identified over the whole cohort, with a median of 25 imbalances per case for ABC-DLBCL and 19 per case for GCB-DLBCL. Several recurrent copy number changes showed differential frequencies in the GCB- and ABC-DLBCL subgroups, including gains of HDAC7A predominantly in GCB-DLBCL (38% of cases) and losses of BACH2 and CASP8AP2 predominantly in ABC-DLBCL (35%), hinting at disparate pathogenetic mechanisms in these entities. Correlating gene expression and copy number revealed a strong gene dosage effect in all tumors, with 34% of probesets showing a concordant expression change in affected regions. Two new potential tumor suppressor genes emerging from the analysis, CASP3 and IL5RA, were sequenced in ten and 16 candidate cases, respectively. However, no mutations were found, pointing to a potential haploinsufficiency effect of these genes, considering their reduced expression in cases with deletions. Our study thus describes differences and similarities in the landscape of genomic aberrations in the DLBCL subgroups in a large collection of cases, confirming already known targets, but also discovering novel copy number changes with possible pathogenetic relevance. © 2014 UICC.

  5. Detailed crustal structure in the area of the southern Apennines-Calabrian Arc border from local earthquake tomography

    NASA Astrophysics Data System (ADS)

    Totaro, C.; Koulakov, I.; Orecchio, B.; Presti, D.

    2014-12-01

    We present a new seismic velocity model for the southern Apennines-Calabrian Arc border region with the aim to better define the crustal structures at the northern edge of the Ionian subduction zone. This sector also includes the Pollino Mts. area, where a seismic sequence of thousands of small to moderate earthquakes has been recorded between spring 2010 and 2013. In this sector a seismic gap was previously hypothesized by paleoseismological evidences associated with the lack of major earthquakes in historical catalogs. To perform the tomographic inversion we selected ca. 3600 earthquakes that have occurred in the last thirty years and recorded by permanent and temporary networks managed by INGV and Calabria University. Using for the first time the Local Tomography Software for passive tomography inversion (LOTOS hereinafter) to crustal analysis in southern Italy, we have computed the distribution of Vp, Vs, and the Vp/Vs ratio. The obtained velocity model, jointly evaluated with results of synthetic modeling, as well as with the hypocenter distribution and geological information, gives us new constraints on the geodynamical and structural knowledge of the study area. The comparison between the shallow tomography sections and surface geology shows good correlation between velocity patterns and the main geological features of the study area. In the upper crust a low-velocity anomaly of P- and S-waves is detectable beneath the Pollino Mts. area and seems to separate the Calabrian and southern Apennines domains, characterized by higher velocities. The distributions of high Vp/Vs ratio, representing strongly fractured rocks with likely high fluid content, clearly correlate with areas of significant seismicity. In the lower crust we detect a clear transition from high to low seismic velocities in correspondence with the Tyrrhenian coast of the study area, which may represent the transition from the thinner Tyrrhenian crust to the thicker one beneath Calabria. In this

  6. Detailed characterization of the kinetic performance of first and second generation silica monolithic columns for reversed-phase chromatography separations.

    PubMed

    Cabooter, Deirdre; Broeckhoven, Ken; Sterken, Roman; Vanmessen, Alison; Vandendael, Isabelle; Nakanishi, Kazuki; Deridder, Sander; Desmet, Gert

    2014-01-17

    The kinetic performance of commercially available first generation and prototype second generation silica monoliths has been investigated for 2.0mm and 3.0-3.2mm inner diameter columns. It is demonstrated that the altered sol-gel process employed for the production of second generation monoliths results in structures with a smaller characteristic size leading to an improved peak shape and higher efficiencies. The permeability of the columns however, decreases significantly due to the smaller throughpore and skeleton sizes. Scanning electron microscopy pictures suggest the first generation monoliths have cylindrical skeleton branches, whereas the second generation monoliths rather have skeleton branches that resemble a single chain of spherical globules. Using recently established correlations for the flow resistance of cylindrical and globule chain type monolithic structures, it is demonstrated that the higher flow resistance of the second generation monoliths can be entirely attributed to their smaller skeleton sizes, which is also evident from the external porosity that is largely the same for both monolith generations (ɛe∼0.65). The recorded van Deemter plots show a clear improvement in efficiency for the second generation monoliths (minimal plate heights of 13.6-14.1μm for the first and 6.5-8.2μm for the second generation, when assessing the plate count using the Foley-Dorsey method). The corresponding kinetic plots, however, indicate that the much reduced permeability of the second generation monoliths results in kinetic performances (time needed to achieve a given efficiency) which are only better than those of the first generation for plate counts up to N∼45,000. For more complex samples (N≥50,000), the first generation monoliths can intrinsically still provide faster analysis due to their high permeability. It is also demonstrated that - despite the improved efficiency of the second generation monoliths in the practical range of separations (N=10

  7. Structure and mutational analysis of the PhoN protein of Salmonella typhimurium provide insight into mechanistic details.

    PubMed

    Makde, Ravindra D; Mahajan, Suresh K; Kumar, Vinay

    2007-02-27

    The Salmonella typhimurium PhoN protein is a nonspecific acid phosphatase and belongs to the phosphatidic acid phosphatase type 2 (PAP2) superfamily. We report here the crystal structures of phosphate-bound PhoN, the PhoN-tungstate complex, and the T159D mutant of PhoN along with functional characterization of three mutants: L39T, T159D, and D201N. Invariant active site residues, Lys-123, Arg-130, Ser-156, Gly-157, His-158, and Arg-191, interact with phosphate and tungstate oxyanions. Ser-156 also accepts a hydrogen bond from Thr-159. The T159D mutation, surprisingly, severely diminishes phosphatase activity, apparently by disturbing the active site scaffold: Arg-191 is swung out of the active site resulting in conformational changes in His-158 and His-197 residues. Our results reveal a hitherto unknown functional role of Arg-191, namely, restricting the active conformation of catalytic His-158 and His-197 residues. Consistent with the conserved nature of Asp-201 in the PAP2 superfamily, the D201N mutation completely abolished phosphatase activity. On the basis of this observation and in silico analysis we suggest that the crucial mechanistic role of Asp-201 is to stabilize the positive charge on the phosphohistidine intermediate generated by the transfer of phosphoryl to the nucleophile, His-197, located within hydrogen bond distance to the invariant Asp-201. This is in contrast to earlier suggestions that Asp-201 stabilizes His-197 and the His197-Asp201 dyad facilitates formation of the phosphoenzyme intermediate through a charge-relay system. Finally, the L39T mutation in the conserved polyproline motif (39LPPPP43) of dimeric PhoN leads to a marginal reduction in activity, in contrast to the nearly 50-fold reduction observed for monomeric Prevotella intermedia acid phosphatase, suggesting that the varying quaternary structure of PhoN orthologues may have functional significance.

  8. Production and detailed characterization of biologically active olive pollen allergen Ole e 1 secreted by the yeast Pichia pastoris.

    PubMed

    Huecas, S; Villalba, M; González, E; Martínez-Ruiz, A; Rodríguez, R

    1999-04-01

    The glycoprotein Ole e 1 is a significant aeroallergen from the olive tree (Olea europaea) pollen, with great clinical relevance in the Mediterranean area. To produce a biologically active form of recombinant Ole e 1, heterologous expression in the methylotrophic yeast Pichia pastoris was carried out. A cDNA encoding Ole e 1, fused to a Saccharomyces cerevisiae alpha-mating factor prepropeptide using the pPIC9 vector, was inserted into the yeast genome under the control of the AOX1 promoter. After induction with methanol, the protein secreted into the extracellular medium was purified by ion-exchange and size-exclusion chromatography. The structure of the isolated recombinant Ole e 1 was determined by chemical and spectroscopic techniques, and its immunological properties analysed by blotting and ELISA inhibition with Ole e 1-specific monoclonal antibodies and IgE from sera of allergic patients. The allergen was produced at a yield of 60 mg per litre of culture as a homogeneous glycosylated protein of around 18.5 kDa. Recombinant Ole e 1 appears to be properly folded, as it displays spectroscopic properties (CD and fluorescence) and immunological reactivities (IgG binding to monoclonal antibodies sensitive to denaturation and IgE from sera of allergic patients) indistinguishable from those of the natural protein. This approach gives high-yield production of homogeneous and biologically active allergen, which should be useful for scientific and clinical purposes.

  9. Detailed characterization of cysteine-less P-glycoprotein reveals subtle pharmacological differences in function from wild-type protein

    PubMed Central

    Taylor, Andrew M; Storm, Janet; Soceneantu, Loredana; Linton, Kenneth J; Gabriel, Mark; Martin, Catherine; Woodhouse, James; Blott, Emma; Higgins, Christopher F; Callaghan, Richard

    2001-01-01

    Subtle alterations in the coupling of drug binding to nucleotide hydrolysis were observed following mutation of all seven endogenous cysteine residues to serines in the human multidrug resistance transporter, P-glycoprotein. Wild-type (wt) and the mutant (cys-less) forms of P-gp were expressed in Trichoplusia ni (High Five) cells and purified by metal affinity chromatography in order to undertake functional studies. No significant differences were observed in substrate ([3H]-azidopine) binding to wt or cys-less P-gp. Furthermore, neither the transported substrate vinblastine, nor the modulator nicardipine, differed in their respective potencies to displace [3H]-azidopine from the wt or cys-less P-gp. These results suggest that respective binding sites for these drugs were unaffected by the introduced cysteine to serine substitutions. The Michaelis-Menten characteristics of basal ATP hydrolysis of the two isoforms of P-gp were identical. The maximal ATPase activity in the presence of vinblastine was marginally reduced whilst the Km was unchanged in cys-less P-gp compared to control. However, cys-less P-gp displayed lower overall maximal ATPase activity (62%), a decreased Km and a lower degree of stimulation (76%) in the presence of the modulator nicardipine. Therefore, the serine to cysteine mutations in P-gp may suggest that vinblastine and nicardipine transduce their effects on ATP hydrolysis through distinct conformational pathways. The wt and cys-less P-gp isoforms display similarity in their fundamental kinetic properties thereby validating the use of cys-less P-gp as a template for future cysteine-directed structure/function analysis. PMID:11739236

  10. Structure-Based Characterization of Multiprotein Complexes

    PubMed Central

    Wiederstein, Markus; Gruber, Markus; Frank, Karl; Melo, Francisco; Sippl, Manfred J.

    2014-01-01

    Summary Multiprotein complexes govern virtually all cellular processes. Their 3D structures provide important clues to their biological roles, especially through structural correlations among protein molecules and complexes. The detection of such correlations generally requires comprehensive searches in databases of known protein structures by means of appropriate structure-matching techniques. Here, we present a high-speed structure search engine capable of instantly matching large protein oligomers against the complete and up-to-date database of biologically functional assemblies of protein molecules. We use this tool to reveal unseen structural correlations on the level of protein quaternary structure and demonstrate its general usefulness for efficiently exploring complex structural relationships among known protein assemblies. PMID:24954616

  11. Structure-based characterization of multiprotein complexes.

    PubMed

    Wiederstein, Markus; Gruber, Markus; Frank, Karl; Melo, Francisco; Sippl, Manfred J

    2014-07-08

    Multiprotein complexes govern virtually all cellular processes. Their 3D structures provide important clues to their biological roles, especially through structural correlations among protein molecules and complexes. The detection of such correlations generally requires comprehensive searches in databases of known protein structures by means of appropriate structure-matching techniques. Here, we present a high-speed structure search engine capable of instantly matching large protein oligomers against the complete and up-to-date database of biologically functional assemblies of protein molecules. We use this tool to reveal unseen structural correlations on the level of protein quaternary structure and demonstrate its general usefulness for efficiently exploring complex structural relationships among known protein assemblies.

  12. 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

  13. Structural, optical, and electrical characterization of improved amorphous hydrogenated germanium

    NASA Astrophysics Data System (ADS)

    Turner, W. A.; Jones, S. J.; Pang, D.; Bateman, B. F.; Chen, J. H.; Li, Y.-M.; Marques, F. C.; Wetsel, A. E.; Wickboldt, P.; Paul, W.; Bodart, J.; Norberg, R. E.; El Zawawi, I.; Theye, M. L.

    1990-06-01

    High-quality amorphous hydrogenated germanium has been deposited using the diode rf glow discharge method out of a gas plasma of GeH4 and H2. The optical, electrical, and structural properties of this material have been extensively characterized. The optical and electrical properties are all consistent with material containing a low density of defect related states in the energy gap. In particular, this material has an ημτ=3.2×10-7 cm2/V, ratio of photocurrent to dark current of 1.3×10-1, and flux dependence of the photocurrent with γ=0.79 at 1.25 eV measured using photoconductivity, a μτ=4×10-8 cm2/V measured using time of flight, an Urbach energy of 51 meV and α at 0.7 eV of 8.3 cm-1 measured using photothermal deflection spectroscopy, a dangling bond spin density of 5×1016 cm-3 measured using electron spin resonance, photoluminescence with a peak energy position of 0.81 eV and full width at half maximum of 0.19 eV, an activation energy of 0.52 eV and σ0 of 6.1×103 (Ω cm)-1 measured using dark conductivity, and an E04 band gap of 1.24 eV measured by optical absorption. The structural measurements indicate a homogeneous material lacking any island/tissue and columnar structure when investigated using transmission and scanning electron microscopy, respectively. Hydrogen concentrations calculated from infrared and gas evolution measurements can only by reconciled by postulating a large quantity of unbonded hydrogen whose presence is confirmed using deuteron magnetic resonance. The bonded deuterium component, as seen in this film using DMR, has a spin-lattice relaxation time of the order of 4000 s. The differential scanning calorimetry measurement shows crystallization occurring at 421 °C and the presence of large compressive stresses has been confirmed using a bending-beam method. The experimental details necessary to interpret the quantities quoted here are set out in the text which follows. It is considered that the very good optical and electrical

  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. Kinetic and Structural Characterization of Dihydrofolate Reductase from Streptococcus pneumoniae

    PubMed Central

    Lee, Jeeyeon; Yennawar, Neela H.; Gam, Jongsik; Benkovic, Stephen J.

    2013-01-01

    Drug resistance associated with dihydrofolate reductase (DHFR) has emerged as a critical issue in the treatment of bacterial infections. In our efforts to understand the mechanism of a drug-resistant dihydrofolate reductase (DHFR) from a pathogenic bacterial source, we report the first kinetic characterization of Streptococcus pneumoniae DHFR (spDHFR) along with its X-ray structure. This study revealed that the kinetic properties of spDHFR were significantly different from E. coli DHFR. The product (tetrahydrofolate) dissociation step that is the rate limiting step in the E. coli DHFR is significantly accelerated in spDHFR so that hydride transfer or a preceding step is rate limiting. Comparison of the binding parameters of this enzyme to a mutant spDHFR (Sp9) confirmed that the Leu100 residue in spDHFR is the critical element for the trimethoprim (TMP) resistance. Steady-state kinetics exhibited a pH dependence in kcat, which prompted us to elucidate the role of the new catalytic residue (His33) in the active site of spDHFR. Structural data of the Sp9 mutant in complex with NADPH and methotrexate confirmed the participation of His33 in a hydrogen bonding network involving a water molecule, the hydroxyl group of Thr119, and carboxylate ion of Glu30. Sequence analysis of the DHFR superfamily revealed that the His residue is the major amino acid component at this position and is found mostly in pathogenic bacterial DHFRs. A mutation of Val100 to Leu demonstrated a steric clash of the leucine side chain with the side chains of Ile8 and Phe34, rationalizing weaker binding of trimethoprim to Leu100 DHFR. Understanding the role of specific amino acids in the active site coupled with detailed structural analysis will inform us on how to better design inhibitors targeting drug resistant pathogenic bacterial DHFRs. PMID:19950924

  16. Development and Characterization of Multilayer Integrated Warhead Structure.

    DTIC Science & Technology

    1985-05-01

    the final concept. Steel castings ( 17 - 4PH ) were made and specimens were machined to characterize the structural properties of the concept. The pioperty...casting 17 - 4PH test specimens and characterizing these composite structures. It was anticipated that problem would occur in the transition . from...MULTILAYER Final Report INTEGRATED WARHEAD STRUCTURE 3/ 17 /83 to 9/30/84 G. PERFORMING ORG. REPORT NUMBER 7. AUTHOR(a) 0. CONTRACT OR GRANT NUMBER(s) D

  17. Soil structure characterized using computed tomographic images

    Treesearch

    Zhanqi Cheng; Stephen H. Anderson; Clark J. Gantzer; J. W. Van Sambeek

    2003-01-01

    Fractal analysis of soil structure is a relatively new method for quantifying the effects of management systems on soil properties and quality. The objective of this work was to explore several methods of studying images to describe and quantify structure of soils under forest management. This research uses computed tomography and a topological method called Multiple...

  18. Air Vehicle Integration and Technology Research (AVIATR). Delivery Order 0023: Predictive Capability for Hypersonic Structural Response and Life Prediction: Phase 2 - Detailed Design of Hypersonic Cruise Vehicle Hot-Structure

    DTIC Science & Technology

    2012-05-01

    AFRL-RQ-WP-TR-2012-0280 AIR VEHICLE INTEGRATION AND TECHNOLOGY RESEARCH (AVIATR) Delivery Order 0023: Predictive Capability for Hypersonic ...Structural Response and Life Prediction: Phase II - Detailed Design of Hypersonic Cruise Vehicle Hot-Structure Brian Zuchowski Lockheed Martin...Capability for Hypersonic Structural Response and Life Prediction: Phase II - Detailed Design of Hypersonic Cruise Vehicle Hot-Structure 5a. CONTRACT

  19. Effect of detailed cell structure on light scattering distribution: FDTD study of a B-cell with 3D structure constructed from confocal images

    NASA Astrophysics Data System (ADS)

    Brock, R. Scott; Hu, Xin-Hua; Weidner, Douglas A.; Mourant, Judith R.; Lu, Jun Q.

    2006-11-01

    Human B-cells play an important role in the immune system, and because of their relatively simple structures with a nearly spherically shaped cell membrane and a large nucleus, they provide a good case to study on how the details of cell structure affect light scattering properties. A finite-difference-time-domain (FDTD) method is used to calculate angle-resolved light scattering distributions from a B-cell. Published FDTD simulations to date have used a smooth shape with a certain degree of symmetry to approximate the actual cell shape. In contrast, for this work, the shapes of the cell and its nucleus were determined from confocal microscopy measurements. An automated procedure was developed to construct a realistic three-dimensional structure of a B-cell from a stack of two-dimensional confocal images. The angle-resolved Mueller matrix elements of the B-cell were calculated and averaged for 30 different angles of incidence using a parallel FDTD code. These results were compared with those from a homogeneous and a coated sphere. Scattering from the two sphere models and the B-cell were very similar for scattering angles less than 5°, and the coated sphere and B-cell agreed well for scattering angles up to 20°. However, at larger angles, the scattering from the B-cell was a much smoother function of angle than scattering from either sphere model. Additionally, the homogeneous sphere results were the most similar to the B-cell results for most angles between 120° and 150°, and at angles greater than 150°, the B-cell scattered more light than either of the spheres. These results yield strong evidence that accurate modeling of light scattering by biological cells requires not only the high accuracy of the employed numerical method but the realistic cellular structure as input information as well.

  20. Nearly complete rRNA genes from 371 Animalia: updated structure-based alignment and detailed phylogenetic analysis.

    PubMed

    Mallatt, Jon; Craig, Catherine Waggoner; Yoder, Matthew J

    2012-09-01

    This study presents a manually constructed alignment of nearly complete rRNA genes from most animal clades (371 taxa from ~33 of the ~36 metazoan phyla), expanded from the 197 sequences in a previous study. This thorough, taxon-rich alignment, available at http://www.wsu.edu/~jmallatt/research/rRNAalignment.html and in the Dryad Repository (doi: http://dx.doi.org/10.5061/dryad.1v62kr3q), is based rigidly on the secondary structure of the SSU and LSU rRNA molecules, and is annotated in detail, including labeling of the erroneous sequences (contaminants). The alignment can be used for future studies of the molecular evolution of rRNA. Here, we use it to explore if the larger number of sequences produces an improved phylogenetic tree of animal relationships. Disappointingly, the resolution did not improve, neither when the standard maximum-likelihood method was used, nor with more sophisticated methods that partitioned the rRNA into paired and unpaired sites (stem, loop, bulge, junction), or accounted for the evolution of the paired sites. For example, no doublet model of paired-site substitutions (16-state, 16A and 16B, 7A-F, or 6A-C models) corrected the placement of any rogue taxa or increased resolution. The following findings are from the simplest, standard, ML analysis. The 371-taxon tree only imperfectly supported the bilaterian clades of Lophotrochozoa and Ecdysozoa, and this problem remained after 17 taxa with unstably positioned sequences were omitted from the analysis. The problem seems to stem from base-compositional heterogeneity across taxa and from an overrepresentation of highly divergent sequences among the newly added taxa (e.g., sequences from Cephalopoda, Rotifera, Acoela, and Myxozoa). The rogue taxa continue to concentrate in two locations in the rRNA tree: near the base of Arthropoda and of Bilateria. The approximately uncertain (AU) test refuted the monophyly of Mollusca and of Chordata, probably due to long-branch attraction of the highly

  1. Structural and physiological characterization during wheat pericarp development.

    PubMed

    Xiong, F; Yu, X R; Zhou, L; Wang, F; Xiong, A S

    2013-08-01

    The cytological and physiological features of developing wheat pericarp were clearly characterized in this report. Our results may be helpful to articulate the functions of pericarp during the seed development. Although wheat pericarp has been well studied, knowledge of the sequence of events in the process of pericarp development is incomplete. In the present study, the structural development process of wheat (Triticum aestivum L.) pericarp was investigated in detail using resin microtomy and microscopy. Chlorophyll contents, and photosynthetic and respiratory rates, in pericarp were determined using spectrophotometer and an oxygen electrode, respectively. Mineral nutrient contents were also determined using scanning electron microscopy. The main results are as follows: (1) based on the structures and physiological characteristics observed, the developmental process of pericarp was divided into four stages, growth, formation, extinction and maturation stages, pericarp exhibited specific features at each stage. (2) Pericarp development differed in different parts, or varieties, of wheat. The dorsal pericarp had fewer starch grains and slower rates of apoptosis than the abdominal mesocarp. The cross cells in dorsal pericarp had an irregular outline. When compared with soft wheat cv. Yangmai 11, mesocarp cells in hard wheat cv. Xumai 30 had more starch grains, larger cell size and longer development duration. (3) The chlorophyll content, photosynthesis rate and respiratory rate in pericarp increased gradually, reaching a maximum about 16 days after anthesis, and later decreased continually. The photosynthetic rate in pericarp was lower than the respiration rate. (4) The contents of mineral elements in pericarp, such as calcium, zinc, iron and potassium were higher than those in the inner endosperm. The data indicate that wheat pericarp has many functions, e.g. protection, photosynthesis, mineral accumulation, synthesis and degradation of starch.

  2. 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.

  3. Structural and biochemical characterization of DSL ribozyme.

    PubMed

    Horie, Souta; Ikawa, Yoshiya; Inoue, Tan

    2006-01-06

    We recently reported on the molecular design and synthesis of a new RNA ligase ribozyme (DSL), whose active site was selected from a sequence library consisting of 30 random nucleotides set on a defined 3D structure of a designed RNA scaffold. In this study, we report on the structural and biochemical analyses of DSL. Structural analysis indicates that the active site, which consists of the selected sequence, attaches to the folded scaffold as designed. To see whether DSL resembles known ribozymes, a biochemical assay was performed. Metal-dependent kinetic studies suggest that the ligase requires Mg2+ ions. The replacement of Mg2+ with Co(NH3)6(3+) prohibits the reaction, indicating that DSL requires innersphere coordination of Mg2+ for a ligation reaction. The results show that DSL has requirements similar to those of previously reported catalytic RNAs.

  4. The Many Faces of Structure-Based Potentials: From Protein Folding Landscapes to Structural Characterization of Complex Biomolecules

    NASA Astrophysics Data System (ADS)

    Noel, Jeffrey K.; Onuchic, José N.

    Structural biology techniques, such as nuclear magnetic resonance (NMR), x-ray crystallography, and cryogenic electron microscopy (cryo-EM), have provided extraordinary insights into the details of the functional configurations of biomolecular systems. Recent advances in x-ray crystallography and cryo-EM have allowed for structural characterization of large molecular machines such as the ribosome, proteasome, and spliceosome. This deluge of structural data has been complemented by experimental techniques capable of probing dynamic information, such as Förster resonance energy transfer (FRET) and stopped flow spectrometry. While these experimental studies have provided tremendous insights into the dynamics of biomolecular systems, it is often difficult to combine the low resolution dynamical data with the high-resolution structural data into a consistent picture. Computer simulation of these biomolecular systems bridges static structural data with dynamic experiments at atomic resolution (Fig. 1).

  5. Spectroscopic and structural characterization of pascoite

    NASA Astrophysics Data System (ADS)

    Reddy, G. Udayabhaskara; Reddy, R. Ramasubba; Reddy, S. Lakshmi; Frost, Ray L.; Endo, Tamio

    2011-09-01

    Pascoite mineral having yellow-orange colour of Colorado, USA origin has been characterized by EPR, optical and NIR spectroscopy. The colour dark red-orange to yellow-orange colour of the pascoite indicates that the mineral contain mixed valency of vanadium. The optical spectrum exhibits a number of electronic bands due to presence of VO(II) ions in the mineral. From EPR studies, the parameters of g, A are evaluated and the data confirm that the ion is in distorted octahedron. Optical absorption studies reveal that two sets of VO(II) is in distorted octahedron. The bands in NIR spectra are due to the overtones and combinations of water molecules.

  6. Structural and spectroscopic characterization of potassium fluoroborohydrides.

    PubMed

    Heyn, Richard H; Saldan, Ivan; Sørby, Magnus H; Frommen, Christoph; Arstad, Bjørnar; Bougza, Aud M; Fjellvåg, Helmer; Hauback, Bjørn C

    2013-07-21

    Mechanochemical reactions between KBH4 and KBF4 result in the formation of potassium fluoroborohydrides K(BH(x)F(4-x)) (x = 0-4), as determined by (11)B and (19)F solid state NMR. The materials maintain the cubic KBH4 structure. Thermogravimetric (TG) data for a ball-milled sample with KBH4 : KBF4 = 3 : 1 are consistent with only desorption of hydrogen.

  7. Structural characterization of water-metal interfaces

    NASA Astrophysics Data System (ADS)

    Ryczko, Kevin; Tamblyn, Isaac

    2017-08-01

    We analyze and compare the structural, dynamical, and electronic properties of liquid water next to prototypical metals including Pt, graphite, and graphene. Our results are built on Born-Oppenheimer molecular dynamics (BOMD) generated using density functional theory (DFT) which explicitly include van der Waals (vdW) interactions within a first principles approach. All calculations reported use large simulation cells, allowing for an accurate treatment of the water-electrode interfaces. We have included vdW interactions through the use of the optB86b-vdW exchange correlation functional. Comparisons with the Perdew-Burke-Ernzerhof (PBE) exchange correlation functional are also shown. We find an initial peak, due to chemisorption, in the density profile of the liquid water-Pt interface not seen in the liquid water-graphite interface, liquid water-graphene interface, nor interfaces studied previously. To further investigate this chemisorption peak, we also report differences in the electronic structure of single water molecules on both Pt and graphite surfaces. We find that a covalent bond forms between the single water molecule and the Pt surface but not between the single water molecule and the graphite surface. We also discuss the effects that defects and dopants in the graphite and graphene surfaces have on the structure and dynamics of liquid water.

  8. Structural Characterization of Bacterioferritin from Blastochloris viridis

    PubMed Central

    Wahlgren, Weixiao Y.; Omran, Hadil; von Stetten, David; Royant, Antoine; van der Post, Sjoerd; Katona, Gergely

    2012-01-01

    Iron storage and elimination of toxic ferrous iron are the responsibility of bacterioferritins in bacterial species. Bacterioferritins are capable of oxidizing iron using molecular oxygen and import iron ions into the large central cavity of the protein, where they are stored in a mineralized form. We isolated, crystallized bacterioferritin from the microaerophilic/anaerobic, purple non-sulfur bacterium Blastochloris viridis and determined its amino acid sequence and X-ray structure. The structure and sequence revealed similarity to other purple bacterial species with substantial differences in the pore regions. Static 3- and 4-fold pores do not allow the passage of iron ions even though structural dynamics may assist the iron gating. On the other hand the B-pore is open to water and larger ions in its native state. In order to study the mechanism of iron import, multiple soaking experiments were performed. Upon Fe(II) and urea treatment the ferroxidase site undergoes reorganization as seen in bacterioferritin from Escherichia coli and Pseudomonas aeruginosa. When soaking with Fe(II) only, a closely bound small molecular ligand is observed close to Fe1 and the coordination of Glu94 to Fe2 changes from bidentate to monodentate. DFT calculations indicate that the bound ligand is most likely a water or a hydroxide molecule representing a product complex. On the other hand the different soaking treatments did not modify the conformation of other pore regions. PMID:23056552

  9. Mass spectrometry for structural characterization of therapeutic antibodies.

    PubMed

    Zhang, Zhongqi; Pan, Hai; Chen, Xiaoyu

    2009-01-01

    Antibodies, also known as immunoglobulins, have emerged as one of the most promising classes of therapeutics in the biopharmaceutical industry. The need for complete characterization of the quality attributes of these molecules requires sophisticated techniques. Mass spectrometry (MS) has become an essential analytical tool for the structural characterization of therapeutic antibodies, due to its superior resolution over other analytical techniques. It has been widely used in virtually all phases of antibody development. Structural features determined by MS include amino acid sequence, disulfide linkages, carbohydrate structure and profile, and many different post-translational, in-process, and in-storage modifications. In this review, we will discuss various MS-based techniques for the structural characterization of monoclonal antibodies. These techniques are categorized as mass determination of intact antibodies, and as middle-up, bottom-up, top-down, and middle-down structural characterizations. Each of these techniques has its advantages and disadvantages in terms of structural resolution, sequence coverage, sample consumption, and effort required for analyses. The role of MS in glycan structural characterization and profiling will also be discussed.

  10. Structural and electronic characterisation of π-extended tetrathiafulvalene derivatives as active components in field-effect transistors† †Electronic supplementary information (ESI) available: Experimental procedures, characterization data, XRD single crystal data, computational details and device fabrication. CCDC 1460868 and 1460869. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6ce01200k Click here for additional data file. Click here for additional data file.

    PubMed Central

    Campos, Antonio; Oxtoby, Neil; Galindo, Sergi; Pfattner, Raphael; Veciana, Jaume; Bromley, Stefan T.

    2016-01-01

    The electronic and structural properties of two tetrathiafulvalene derivatives bearing aromatic benzene rings are reported. Thin film transistors of these materials show p-type characteristics with comparable mobility values. It is found that the rigidification of the molecule is beneficial for reducing the reorganisation energy but also has an unfavorable impact on the electronic structure dimensionality. PMID:27774040

  11. Amplification and characterization of eukaryotic structural genes.

    PubMed

    Maniatis, T; Efstratiadis, A; Sim, G K; Kafatos, F

    1978-05-01

    An approach to the study of eukaryotic structural genes which are differentially expressed during development is described. This approach involves the isolation and amplification of mRNA sequences by in vitro conversion of mRNA to double-stranded cDNA followed by molecular cloning in bacterial plasmids. This procedure provides highly specific hybridization probes that can be used to identify genes and their contiguous DNA sequences in genomic DNA, and to detect specific RNA transcripts during development. The nature of the method allows the isolation of individual mRNA sequences from a complex population of molecules at different stages of development.

  12. An image-based model of the whole human heart with detailed anatomical structure and fiber orientation.

    PubMed

    Deng, Dongdong; Jiao, Peifeng; Ye, Xuesong; Xia, Ling

    2012-01-01

    Many heart anatomy models have been developed to study the electrophysiological properties of the human heart. However, none of them includes the geometry of the whole human heart. In this study, an anatomically detailed mathematical model of the human heart was firstly reconstructed from the computed tomography images. In the reconstructed model, the atria consisted of atrial muscles, sinoatrial node, crista terminalis, pectinate muscles, Bachmann's bundle, intercaval bundles, and limbus of the fossa ovalis. The atrioventricular junction included the atrioventricular node and atrioventricular ring, and the ventricles had ventricular muscles, His bundle, bundle branches, and Purkinje network. The epicardial and endocardial myofiber orientations of the ventricles and one layer of atrial myofiber orientation were then measured. They were calculated using linear interpolation technique and minimum distance algorithm, respectively. To the best of our knowledge, this is the first anatomically-detailed human heart model with corresponding experimentally measured fibers orientation. In addition, the whole heart excitation propagation was simulated using a monodomain model. The simulated normal activation sequence agreed well with the published experimental findings.

  13. Towards detailed knowledge of atomic nuclei—the past, present and future of nuclear structure investigations at GSI

    NASA Astrophysics Data System (ADS)

    Gerl, J.; Gorska, M.; Wollersheim, H. J.

    2016-10-01

    Selected experimental nuclear structure physics results are presented which have been obtained at GSI since the mid 70ties employing the UNILAC and the SIS/FRS accelerator facility. It is shown how stable heavy-ion beams as well as radioactive isotope beams of this facility together with state-of-the-art instrumentation produced many discoveries and led to a multitude of important results covering many aspects of nuclear structure. Finally, we discuss the future directions of nuclear structure research at GSI with the FAIR/NUSTAR project.

  14. Characterizing the Community Structure of Complex Networks

    PubMed Central

    Lancichinetti, Andrea; Kivelä, Mikko; Saramäki, Jari; Fortunato, Santo

    2010-01-01

    Background Community structure is one of the key properties of complex networks and plays a crucial role in their topology and function. While an impressive amount of work has been done on the issue of community detection, very little attention has been so far devoted to the investigation of communities in real networks. Methodology/Principal Findings We present a systematic empirical analysis of the statistical properties of communities in large information, communication, technological, biological, and social networks. We find that the mesoscopic organization of networks of the same category is remarkably similar. This is reflected in several characteristics of community structure, which can be used as “fingerprints” of specific network categories. While community size distributions are always broad, certain categories of networks consist mainly of tree-like communities, while others have denser modules. Average path lengths within communities initially grow logarithmically with community size, but the growth saturates or slows down for communities larger than a characteristic size. This behaviour is related to the presence of hubs within communities, whose roles differ across categories. Also the community embeddedness of nodes, measured in terms of the fraction of links within their communities, has a characteristic distribution for each category. Conclusions/Significance Our findings, verified by the use of two fundamentally different community detection methods, allow for a classification of real networks and pave the way to a realistic modelling of networks' evolution. PMID:20711338

  15. 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

  16. Multiscale Structure of UXO Site Characterization: Spatial Estimation and Uncertainty Quantification

    SciTech Connect

    Ostrouchov, George; Doll, William E.; Beard, Les P.; Morris, Max D.; Wolf, Dennis A

    2009-01-01

    Unexploded ordnance (UXO) site characterization must consider both how the contamination is generated and how we observe that contamination. Within the generation and observation processes, dependence structures can be exploited at multiple scales. We describe a conceptual site characterization process, the dependence structures available at several scales, and consider their statistical estimation aspects. It is evident that most of the statistical methods that are needed to address the estimation problems are known but their application-specific implementation may not be available. We demonstrate estimation at one scale and propose a representation for site contamination intensity that takes full account of uncertainty, is flexible enough to answer regulatory requirements, and is a practical tool for managing detailed spatial site characterization and remediation. The representation is based on point process spatial estimation methods that require modern computational resources for practical application. These methods have provisions for including prior and covariate information.

  17. Native Cellulose: Structure, Characterization and Thermal Properties

    PubMed Central

    Poletto, Matheus; Ornaghi Júnior, Heitor L.; Zattera, Ademir J.

    2014-01-01

    In this work, the relationship between cellulose crystallinity, the influence of extractive content on lignocellulosic fiber degradation, the correlation between chemical composition and the physical properties of ten types of natural fibers were investigated by FTIR spectroscopy, X-ray diffraction and thermogravimetry techniques. The results showed that higher extractive contents associated with lower crystallinity and lower cellulose crystallite size can accelerate the degradation process and reduce the thermal stability of the lignocellulosic fibers studied. On the other hand, the thermal decomposition of natural fibers is shifted to higher temperatures with increasing the cellulose crystallinity and crystallite size. These results indicated that the cellulose crystallite size affects the thermal degradation temperature of natural fibers. This study showed that through the methods used, previous information about the structure and properties of lignocellulosic fibers can be obtained before use in composite formulations. PMID:28788179

  18. Standardization of allergen products: 2. Detailed characterization of GMP-produced recombinant Phl p 5.0109 as European Pharmacopoeia reference standard.

    PubMed

    Himly, M; Nandy, A; Kahlert, H; Thilker, M; Steiner, M; Briza, P; Neubauer, A; Klysner, S; van Ree, R; Buchheit, K-H; Vieths, S; Ferreira, F

    2016-04-01

    The Biological Standardization Programme of the European Directorate for Quality of Medicines and Healthcare (EDQM) aims at the establishment of well-characterized reference standards based on recombinant allergens and validated assays for the quantification of major allergen content. The objective of this study was to examine the detailed physicochemical and immunological characterization of recombinant Phl p 5.0109, the second available allergen reference standard. Recombinant Phl p 5.0109 PP5ar06007 was produced under GMP conditions and analyzed by an array of physicochemical and immunological methods for identity, quantity, homogeneity, and folding stability in bulk solution, as well as thermal denaturation, aggregation state, and biological activity when formulated for long-time storage. PP5ar06007 revealed as a highly homogeneous, monomeric, well-folded preparation of rPhl p 5.0109, as documented by mass spectrometry, SDS-PAGE, isoelectric focusing, size-exclusion chromatography with light scattering, circular dichroism, and infrared spectroscopy. Upon storage at +4°C, PP5ar06007 retained the monomeric state for at least 2 months. A protein quantity of 1.56 ± 0.03 mg/ml was determined by amino acid analysis in PP5ar06007, and its biological activity was shown to be comparable to natural Phl p 5 in terms of basophil activation and T-cell reactivity. Recombinant Phl p 5.0109 PP5ar06007 was characterized extensively at the physicochemical and immunological level. It revealed to be a highly stable, monomeric, and immunologically equivalent of its natural counterpart. PP5ar06007 is now available as European Pharmacopoeia allergen reference standard for grass pollen products. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  19. Standardization of allergen products: 1. Detailed characterization of GMP-produced recombinant Bet v 1.0101 as biological reference preparation.

    PubMed

    Himly, M; Nony, E; Chabre, H; Van Overtvelt, L; Neubauer, A; van Ree, R; Buchheit, K-H; Vieths, S; Moingeon, P; Ferreira, F

    2009-07-01

    Standardization of allergen extracts requires the availability of well-characterized recombinant allergens, which can be used as reference standards provided by the European regulatory authorities. The objective of this study was the detailed physicochemical and immunological characterization of rBet v 1.0101, which shall be used in a ring trial within the framework of the Biological Standardization Programme BSP090 of the European Directorate for Quality of Medicines and Healthcare. Recombinant Bet v 1.0101 Y0487 was produced under good manufacturing practice conditions and analysed by an array of physicochemical and immunological methods for identity, quantity, homogeneity, folding and denaturation, aggregation state and stability in solution, as well as biological activity. Batch Y0487 was shown to contain monomeric and well-folded protein being identical with rBet v 1.0101, as determined by mass spectrometry. SDS-PAGE, isoelectric focusing, deamidation analysis and size-exclusion chromatography with light scattering revealed sample homogeneity of >99.9%. Upon storage at +4 degrees C batch Y0487 retained the monomeric state up to 3 months. Protein quantification determined by amino acid analysis was found coinciding with half-maximal inhibition of serum IgE in ELISA. Biological activity of batch Y0487 was shown to be comparable to natural Bet v 1 by IgG and IgE immunoblotting, as well as basophil and T-cell activation. Recombinant Bet v 1.0101 Y0487 was characterized extensively by physicochemical and immunological methods. It was shown highly stable, monomeric and immunologically equivalent to its natural counterpart. Thus, it represents an appropriate candidate reference standard for Bet v 1.

  20. Characterization of Fine Structure in Sprites

    NASA Astrophysics Data System (ADS)

    Gerken, E. A.; Inan, U. S.

    2001-12-01

    During the summer months of 1998-2000, Stanford University fielded campaigns to telescopically image sprites. The campaigns were conducted at Langmuir Laboratory (operated by New Mexico Institute of Mining and Technology) in Socorro NM and Yucca Ridge Observatory in Fort Collins CO. The experiment consisted of two intensified CCD cameras, two photometers, and crossed magnetic loop VLF antennas. One camera was mounted on a 16in diameter, 72in focal length Newtonian telescope with a field of view of 0.72x0.9 degrees and the other had a 50mm lens with a field of view of 9x12 degrees. Similarly one photometer was mounted on an 8in diameter, 1200mm focal length Newtonian telescope with a circular field of view of 1 degree and the second was red-filtered and had a wider field of view of 3x6 degrees. All four instruments were mounted on the same platform and were aligned. Video data was stored on VHS tapes with the photometer signals recorded on the audio channels. GPS video time-stamping and IRIG-B code were used for timing. Data from these campaigns reveal streamer structures within sprites ranging from 25m to 200m in width. Streamer morphologies are diverse ranging from single columns to multiply-forked structures to chains of beads. Faint downward branching is observed prior to some large sprite events. Streamers are seen to develop on time scales from less than 17ms to over 100ms. Streamer sizes and velocities are compared to existing models and charge moments for associated sferics are presented.

  1. 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

  2. Implications of Model Structure and Detail for Utility Planning: Scenario Case Studies Using the Resource Planning Model

    SciTech Connect

    Mai, Trieu; Barrows, Clayton; Lopez, Anthony; Hale, Elaine; Dyson, Mark; Eurek, Kelly

    2015-04-01

    In this report, we analyze the impacts of model configuration and detail in capacity expansion models, computational tools used by utility planners looking to find the least cost option for planning the system and by researchers or policy makers attempting to understand the effects of various policy implementations. The present analysis focuses on the importance of model configurations — particularly those related to capacity credit, dispatch modeling, and transmission modeling — to the construction of scenario futures. Our analysis is primarily directed toward advanced tools used for utility planning and is focused on those impacts that are most relevant to decisions with respect to future renewable capacity deployment. To serve this purpose, we develop and employ the NREL Resource Planning Model to conduct a case study analysis that explores 12 separate capacity expansion scenarios of the Western Interconnection through 2030.

  3. Predicted 3D structures of olfactory receptors with details of odorant binding to OR1G1

    NASA Astrophysics Data System (ADS)

    Kim, Soo-Kyung; Goddard, William A.

    2014-12-01

    Olfactory receptors (ORs) are responsible for mediating the sense of smell; they allow humans to recognize an enormous number of odors but the connection between binding and perception is not known. We predict the ensemble of low energy structures for the human OR1G1 (hOR1G1) and also for six other diverse ORs, using the G protein-coupled receptor Ensemble of Structures in Membrane BiLayer Environment complete sampling method that samples 13 trillion different rotations and tilts using four different templates to predict the 24 structures likely to be important in binding and activation. Our predicted most stable structures of hOR1G1 have a salt-bridge between the conserved D3.49 and K6.30 in the D(E)RY region, that we expect to be associated with an inactive form. The hOR1G1 structure also has specific interaction in transmembrane domains (TMD) 3-6 (E3.39 and H6.40), which is likely an important conformational feature for all hORs because of the 94 to 98 % conservation among all hOR sequences. Of the five ligands studied (nonanal, 9-decen-1-ol, 1-nonanol, camphor, and n-butanal), we find that the 4 expected to bind lead to similar binding energies with nonanol the strongest.

  4. Reflectron MALDI TOF and MALDI TOF/TOF mass spectrometry reveal novel structural details of native lipooligosaccharides.

    PubMed

    Sturiale, Luisa; Palmigiano, Angelo; Silipo, Alba; Knirel, Yuriy A; Anisimov, Andrei P; Lanzetta, Rosa; Parrilli, Michelangelo; Molinaro, Antonio; Garozzo, Domenico

    2011-11-01

    Lipooligosaccharides (LOS) are powerful Gram-negative glycolipids that evade the immune system and invade host animal and vegetal cells. The structural elucidation of LOS is pivotal to understanding the mechanisms of infection at the molecular level. The amphiphilic nature of LOS has been the main obstacle for structural analysis by matrix-assisted laser desorption/ionization (MALDI) mass spectrometry (MS). Our approach has resolved this important issue and has permitted us to obtain reflectron MALDI mass spectra of LOS to reveal the fine chemical structure with minimal structural variations. The high-quality MALDI mass spectra show LOS species characteristic of molecular ions and defined fragments due to decay in the ion source. The in-source decay yields B-type ions, which correspond to core oligosaccharide(s), and Y-type ions, which are related to lipid A unit(s). MALDI tandem time-of-flight (TOF/TOF) MS of lipid A allowed for the elucidation of its structure directly from purified intact LOS without the need for any chemical manipulations. These findings constitute a significant advancement in the analysis of such an important biomolecule by MALDI MS. Copyright © 2011 John Wiley & Sons, Ltd.

  5. 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.

  6. 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.

  7. Aromatase inhibitors: structural features and biochemical characterization.

    PubMed

    Hong, Yanyan; Chen, Shiuan

    2006-11-01

    Aromatase is the enzyme synthesizing estrogens from androgens. In estrogen-dependent breast tumors, estrogens induce the expression of growth factors responsible for cancer cell proliferation. In situ estrogen synthesis by aromatase "is thought to play a key role in the promotion of breast cancer growth. Aromatase inhibitors (AIs) provide new approaches for the prevention and treatment of breast cancer by inhibiting estrogen biosynthesis. Through reverse transcription polymerase chain reaction (RT-PCR) and immunohistochemical techniques, aromatase has been found to be expressed in many endocrine tissues and tumors originating from these tissues. Unexpectedly, this enzyme is now known to also be expressed in liver, lung, and colon cancers. Such findings suggest a potential role for endocrine manipulation of these types of cancer using AIs. Three Food and Drug Administration (FDA)-approved AIs, anastrozole (Arimidex), letrozole (Femara), and exemestane (Aromasin), effectively challenging tamoxifen, have been used as first-line drugs in the treatment of hormone-dependent breast cancer, and possibly other aromatase-expressing cancers. In addition, natural anti-aromatase chemicals, such as flavones and coumarins, have been identified. Efforts to develop new lines of AIs derived from these phytochemicals have been initiated in several laboratories. Finally, significant progress has been made in the understanding of the structure-function relationship of aromatase. Such information has helped the examination of binding characteristics of AIs, the evaluation of reaction mechanism of aromatase, and the explanation of the molecular basis for a low catalytic activity of the natural variant, M364T.

  8. Structure and characterization of AAT-1 isoforms.

    PubMed

    Matsuda, Eiko; Ishizaki, Ray; Taira, Takahiro; Iguchi-Ariga, Sanae M M; Ariga, Hiroyoshi

    2005-05-01

    A novel protein, AAT-1, was identified as a AMY-1-binding protein and three splicing variants of AAT-1, AAT-1alpha, -beta and -gamma were identified. The function of AAT-1 is thought to be related to spermatogenesis. In this study, we further identified other splicing isoforms of AAT-1, AAT-1L, AAT-1M and AAT-1S, consisting of 767, 603 and 252 amino acids, respectively. These isoforms were found to use a promoter different from that used by AAT-1alpha, -beta and -gamma in the aat-1 gene, which contains 20 exons. Only 60 amino acids in the C-terminal portion of AAT-1 derived from exons 15-17 are common among AAT-1L, AAT-1M, AAT-1S and AAT-1alpha. While AAT-1alpha is specifically expressed in the testis, AAT-1L, AAT-1M, AAT-1S were found to be differentially expressed in human tissues. All of the isoforms of AAT-1 were found to bind to and colocalized with AMY-1 in human cells. While AAT-1L and AAT-1M were found to be localized diffusely in the cytoplasm, AAT-1S, like AAT-1alpha, was found to be localized in the mitochondria-like structure, suggesting different roles of AAT-1 isoforms in cells.

  9. 10. DETAIL, CAB SIDE. DETAIL, END OF BOOM. DETAIL, LOWER ...

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

    10. DETAIL, CAB SIDE. DETAIL, END OF BOOM. DETAIL, LOWER PART OF TOWER, SHOWING METAL WHEELS AND CABLE SPOOLS. DETAIL, LOOKING UP AT THE UNDERSIDE OF THE REVOLVING PLATFORM ATOP THE TOWER. - United Engineering Company Shipyard, Crane, 2900 Main Street, Alameda, Alameda County, CA

  10. Nickel(II), copper(II) and zinc(II) metallo-intercalators: structural details of the DNA-binding by a combined experimental and computational investigation.

    PubMed

    Lauria, Antonino; Bonsignore, Riccardo; Terenzi, Alessio; Spinello, Angelo; Giannici, Francesco; Longo, Alessandro; Almerico, Anna Maria; Barone, Giampaolo

    2014-04-28

    We present a thorough characterization of the interaction of novel nickel(II) (1), copper(II) (2) and zinc(II) (3) Schiff base complexes with native calf thymus DNA (ct-DNA), in buffered aqueous solution at pH 7.5. UV-vis absorption, circular dichroism (CD) and viscometry titrations provided clear evidence of the intercalative mechanism of the three square-planar metal complexes, allowing us to determine the intrinsic DNA-binding constants (K(b)), equal to 1.3 × 10(7), 2.9 × 10(6), and 6.2 × 10(5) M(-1) for 1, 2 and 3, respectively. Preferential affinity, of one order of magnitude, toward AT compared to GC base pair sequences was detected by UV-vis absorption titrations of 1 with [poly(dG-dC)]2 and [poly(dA-dT)]2. Structural details of the intercalation site of the three metal complexes within [dodeca(dA-dT)]2 were obtained by molecular dynamics (MD) simulations followed by density functional theory/molecular mechanics (DFT/MM) calculations. The calculations revealed that three major intermolecular interactions contribute to the strong affinity between DNA and the three metal complexes: (1) the electrostatic attraction between the two positively charged triethylammoniummethyl groups of the metal complexes and the negatively charged phosphate groups of the DNA backbone; (2) the intercalation of the naphthalene moiety within the four nitrogen bases of the intercalation site; (3) the metal coordination by exocyclic donor atoms of the bases, specifically the carbonyl oxygen and amine nitrogen atoms. Remarkably, the Gibbs formation free energy calculated for the intercalation complexes of 1, 2 and 3 with [dodeca(dA-dT)]2 in the implicit water solution is in agreement with the experimental Gibbs free energy values obtained from the DNA-binding constants as ΔG° = -RT ln(K(b)). In particular, the DNA-binding affinity trend, 1 > 2 > 3, is reproduced. Finally, the first shell coordination distances calculated for the intercalation complex 3/[dodeca(dA-dT)]2 are in

  11. Detailed Gas Chimney Structures in Joetsu Area at Southeastern Margin of Japan Sea, Revealed by High-Resolution 3D Seismic Survey (HR3D)

    NASA Astrophysics Data System (ADS)

    Ohkawa, S.; Hiruta, A.; Yanagimoto, Y.; Matsumoto, R.; Asakawa, E.

    2016-12-01

    To delineate the detailed structure of the gas chimneys, a high-resolution three-dimensional seismic survey (HR3D) was carried out in Joetsu area, at the southeastern margin of Japan Sea where hydrate-related mound and pockmark systems with gas chimneys are widely developed. HR3D data have successfully revealed the fine structure of gas chimneys which were not clearly imaged by the existing seismic data, such as sub-bottom profilers and conventional large-scale 3D surveys for petroleum exploration. HR3D data are also useful to interpolate and extrapolate spatially the geological/geophysical information obtained at wells most of which were drilled into the gas hydrate concentrated zones (GHCZs.) In the areas of low hydrate concentration, the reflections show a parallel-stratified pattern and the bottom simulating reflector (BSR) is parallel to the sea floor reflections. On the other hand, GHCZs are seismologically characterized by (1) strong sea floor reflections on the chimney mounds, (2) chaotic reflection patterns in the chimneys, and (3) pull-up of bottom simulating reflector (BSR) as shown in the attached figure. Strong sea floor reflections suggest that solid hydrates deposit in the very shallow part beneath the sea floor and the chaotic reflections indicate the hydrates are not continuously layered but interspersedly distributed. The BSR pull-up phenomena as much as 70 80msec are caused by high-velocity materials existing between the sea floor and the BSR. The sonic logs acquired by LWD at wells drilled into GHCZs show high velocity up to 3,800 m/s in the massive hydrates. The pull-up times estimated from the sonic data are consistent in general with the observed pull-up times on HR3D sections, suggesting the pull-up times could be useful for a preliminary evaluation of hydrate zones before drilling and/or in the areas without well data. This study was conducted under the commission from AIST as a part of the methane hydrate research project funded by METI

  12. Structural outline of the detailed mechanism for elongation factor Ts-mediated guanine nucleotide exchange on elongation factor Tu.

    PubMed

    Thirup, Søren S; Van, Lan Bich; Nielsen, Tine K; Knudsen, Charlotte R

    2015-07-01

    Translation elongation factor EF-Tu belongs to the superfamily of guanine-nucleotide binding proteins, which play key cellular roles as regulatory switches. All G-proteins require activation via exchange of GDP for GTP to carry out their respective tasks. Often, guanine-nucleotide exchange factors are essential to this process. During translation, EF-Tu:GTP transports aminoacylated tRNA to the ribosome. GTP is hydrolyzed during this process, and subsequent reactivation of EF-Tu is catalyzed by EF-Ts. The reaction path of guanine-nucleotide exchange is structurally poorly defined for EF-Tu and EF-Ts. We have determined the crystal structures of the following reaction intermediates: two structures of EF-Tu:GDP:EF-Ts (2.2 and 1.8Å resolution), EF-Tu:PO4:EF-Ts (1.9Å resolution), EF-Tu:GDPNP:EF-Ts (2.2Å resolution) and EF-Tu:GDPNP:pulvomycin:Mg(2+):EF-Ts (3.5Å resolution). These structures provide snapshots throughout the entire exchange reaction and suggest a mechanism for the release of EF-Tu in its GTP conformation. An inferred sequence of events during the exchange reaction is presented.

  13. Geophysical characterization of the Chicxulub impact structure

    NASA Astrophysics Data System (ADS)

    Gulick, S. P.; Christeson, G. L.; Barton, P. J.; Grieve, R. A.; Morgan, J. V.; Fucugauchi, J. U.

    2013-05-01

    The Chicxulub impact structure, conclusively linked to the 65.5 Ma mass extinction, includes three sets of inward dipping, ring faults, between 70 and 130 km radially with a topographically elevated inner rim, at the inner edge of these faults except in the northeast where such a rim is absent. Slump blocks offset by large faults result in a terrace zone, that steps down from the inner rim into the annular trough. The inner blocks underlie the peak ring --an internal topographic ring of topography that exhibits variable relief due to target asymmetries and bounds the coherent melt sheet within the central basin. Impact breccias lie within the annular trough above the slump blocks and proximal ejecta and within the central basin above the melt sheet. Beneath the melt sheet is the top of the central uplift, displaced by >10 km vertically, and an upwarped Moho, displaced by 1-2 km. These interpretations and hydrocode models support the following working hypothesis for the formation of Chicxulub: a 50 km radius transient cavity, lined with melt and impact breccia, formed within 10s of seconds of the 65.5 Ma impact and within minutes, weakened rebounding crust rose above kilometers above the surface, the transient crater rim underwent localized, brittle deformation and collapsed into large slump blocks resulting in a inner rim being preserved 70-85 km from crater center, and ring faults forming farther outwards. The overheightened central uplift of weakened crust collapsed outwards forming the peak ring, and buried the inner slump blocks. Most impact melt that lined the transient cavity was transported on top of the central uplift, ultimately emplaced as a coherent <3-km thick melt sheet that shallows within the inner regions of the peak ring. Smaller pockets of melt flowed into the annular trough. During and likely for sometime after these events, slope collapse, proximal ejecta, ground surge, and tsunami waves infilled the annular trough with sediments up to 3 km

  14. Surface characterization of semiconductor photocathode structures

    NASA Astrophysics Data System (ADS)

    Liu, Zhi

    The need for a high performance photocathode in the electron beam lithography and microscopy is well established. Previous research demonstrated high brightness (1 x 108 A/cm2-sr at 3 KeV), and an energy spread as low as 50meV at room temperature for a GaAs based negative electron affinity (NEA) cathode in a sealed-off tube. However the GaAs cathodes suffer rapid decay in an open vacuum system. Achieving a clean, stoichiometric and repeatable GaAs(100) surface was the first step in this study. Based on the knowledge obtained from synchrotron radiation photoelectron spectroscopy, we successfully developed and optimized a reliable surface cleaning technique for our GaAs photocathodes. The fully activated photocathode and its decay under different vacuum conditions were investigated. The NEA activation layer is about 1 nm thick and was very vulnerable to oxygen in the system. A revised double dipole structural model was proposed to explain how the Cs/O co-deposition could produce a NEA surface. We found the chemical changes of oxygen species in the activation layer caused the initial quantum yield (QY) decay of the cathode. Further exposure to oxygen oxidized the substrate and permanently reduced the QY to zero. Energy distribution curve measurements of GaAs(100) and GaN(0001) NEA surfaces were performed under laser illumination. We found that the main contribution to the total emitted current of NEA GaAs and GaN surfaces was due to the electrons that were lost an average 140meV and 310 meV respectively in the near surface region prior to emission into vacuum. This energy loss is due not to the scattering through Cs or Cs/O layer; In GaN, it is probably due to a Gunn-like effect involving inter-valley phonon scattering within the band-bending region. We observed a highly directional emission profile from GaAs cathodes (electrons emitted within a semi-angle of 15° relative to the surface normal). In practice, it is expected that the highly directional photoemission

  15. 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.

  16. 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.

  17. Characterization and Prediction of Protein Flexibility Based on Structural Alphabets

    PubMed Central

    Liu, Bin

    2016-01-01

    Motivation. To assist efforts in determining and exploring the functional properties of proteins, it is desirable to characterize and predict protein flexibilities. Results. In this study, the conformational entropy is used as an indicator of the protein flexibility. We first explore whether the conformational change can capture the protein flexibility. The well-defined decoy structures are converted into one-dimensional series of letters from a structural alphabet. Four different structure alphabets, including the secondary structure in 3-class and 8-class, the PB structure alphabet (16-letter), and the DW structure alphabet (28-letter), are investigated. The conformational entropy is then calculated from the structure alphabet letters. Some of the proteins show high correlation between the conformation entropy and the protein flexibility. We then predict the protein flexibility from basic amino acid sequence. The local structures are predicted by the dual-layer model and the conformational entropy of the predicted class distribution is then calculated. The results show that the conformational entropy is a good indicator of the protein flexibility, but false positives remain a problem. The DW structure alphabet performs the best, which means that more subtle local structures can be captured by large number of structure alphabet letters. Overall this study provides a simple and efficient method for the characterization and prediction of the protein flexibility. PMID:27660756

  18. 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.

  19. 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 work 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.

  20. 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

  1. On the structure of amorphous calcium carbonate--a detailed study by solid-state NMR spectroscopy.

    PubMed

    Nebel, Holger; Neumann, Markus; Mayer, Christian; Epple, Matthias

    2008-09-01

    The calcium carbonate phases calcite, aragonite, vaterite, monohydrocalcite (calcium carbonate monohydrate), and ikaite (calcium carbonate hexahydrate) were studied by solid-state NMR spectroscopy ( (1)H and (13)C). Further model compounds were sodium hydrogencarbonate, potassium hydrogencarbonate, and calcium hydroxide. With the help of these data, the structure of synthetically prepared additive-free amorphous calcium carbonate (ACC) was analyzed. ACC contains molecular water (as H 2O), a small amount of mobile hydroxide, and no hydrogencarbonate. This supports the concept of ACC as a transient precursor in the formation of calcium carbonate biominerals.

  2. Structural Details of Ufd1 Binding to p97 and Their Functional Implications in ER-Associated Degradation

    PubMed Central

    Le, Oanh Thi Tu; Lee, Sang Yoon; Yang, Jin Kuk

    2016-01-01

    The hexameric ATPase p97 has been implicated in diverse cellular processes through interactions with many different adaptor proteins at its N-terminal domain. Among these, the Ufd1-Npl4 heterodimer is a major adaptor, and the p97-Ufd1-Npl4 complex plays an essential role in endoplasmic reticulum-associated degradation (ERAD), acting as a segregase that translocates the ubiquitinated client protein from the ER membrane into the cytosol for proteasomal degradation. We determined the crystal structure of the complex of the N-terminal domain of p97 and the SHP box of Ufd1 at a resolution of 1.55 Å. The 11-residue-long SHP box of Ufd1 binds at the far-most side of the Nc lobe of the p97 N domain primarily through hydrophobic interactions, such that F225, F228, N233 and L235 of the SHP box contact hydrophobic residues on the surface of the p97 Nc lobe. Mutating these key interface residues abolished the interactions in two different binding experiments, isothermal titration calorimetry and co-immunoprecipitation. Furthermore, cycloheximide chase assays showed that these same mutations caused accumulation of tyrosinase-C89R, a well-known ERAD substrate, thus implying decreased rate of protein degradation due to their defects in ERAD function. Together, these results provide structural and biochemical insights into the interaction between p97 N domain and Ufd1 SHP box. PMID:27684549

  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. Circulating human B and plasma cells. Age-associated changes in counts and detailed characterization of circulating normal CD138− and CD138+ plasma cells

    PubMed Central

    Caraux, Anouk; Klein, Bernard; Paiva, Bruno; Bret, Caroline; Schmitz, Alexander; Fuhler, Gwenny M.; Bos, Nico A.; Johnsen, Hans E; Orfao, Alberto; Perez-Andres, Martin

    2010-01-01

    Generation of B and plasma cells involves several organs with a necessary cell trafficking between them. A detailed phenotypic characterization of four circulating B-cell subsets (immature-, naïve-, memory- B-lymphocytes and plasma cells) of 106 healthy adults was realized by multiparametric flow cytometry. We show that CD10, CD27 and CD38 is the minimal combination of subsetting markers allowing unequivocal identification of immature (CD10+CD27−CD38+, 6±6 cells/μL), naïve (CD10−CD27−CD38−, 125±90 cells/μL), memory B lymphocytes (CD10−CD27+CD38−, 58±42 cells/μL), and plasma cells (CD10−CD27++CD38++, 2.1±2.1 cells/μL) within circulating CD19+ cells. From these four subsets, only memory B lymphocytes and plasma cells decreased with age, both in relative and absolute counts. Circulating plasma cells split into CD138− (57±12%) and CD138+ (43±12%) cells, the latter displaying a more mature phenotypic profile: absence of surface immunoglobulin, lower CD45 positivity and higher amounts of cytoplasmic immunoglobulin, CD38 and CD27. Unlike B lymphocytes, both populations of plasma cells are KI-67+ and show weak CXCR4 expression. PMID:20081059

  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. 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.

  7. Photodriven hydrogen evolution by molecular catalysts using Al2O3-protected perylene-3,4-dicarboximide on NiO electrodes† †Electronic supplementary information (ESI) available: Experimental details; additional electrochemical and photoelectrochemical characterization, UV-Vis spectra, and fsTA results; quantification of evolved hydrogen; and DFT-computed ground state structure of PMI diester. See DOI: 10.1039/c6sc02477g Click here for additional data file.

    PubMed Central

    Kamire, Rebecca J.; Majewski, Marek B.; Hoffeditz, William L.; Phelan, Brian T.; Farha, Omar K.; Hupp, Joseph T.

    2017-01-01

    The design of efficient hydrogen-evolving photocathodes for dye-sensitized photoelectrochemical cells (DSPECs) requires the incorporation of molecular light absorbing chromophores that are capable of delivering reducing equivalents to molecular proton reduction catalysts at rates exceeding those of charge recombination events. Here, we report the functionalization and kinetic analysis of a nanostructured NiO electrode with a modified perylene-3,4-dicarboximide chromophore (PMI) that is stabilized against degradation by atomic layer deposition (ALD) of thick insulating Al2O3 layers. Following photoinduced charge injection into NiO in high yield, films with Al2O3 layers demonstrate longer charge separated lifetimes as characterized via femtosecond transient absorption spectroscopy and photoelectrochemical techniques. The photoelectrochemical behavior of the electrodes in the presence of Co(ii) and Ni(ii) molecular proton reduction catalysts is examined, revealing reduction of both catalysts. Under prolonged irradiation, evolved H2 is directly observed by gas chromatography supporting the applicability of PMI embedded in Al2O3 as a photocathode architecture in DSPECs. PMID:28616134

  8. 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.

  9. A Detailed Developmental and Structural Study of the Transcriptional Effects of Insertion of the COPIA Transposon into the White Locus of DROSOPHILA MELANOGASTER

    PubMed Central

    Zachar, Zuzana; Davison, Dan; Garza, Dan; Bingham, Paul M.

    1985-01-01

    The copia insertion responsible for the wa mutation is 3' to the white promotor and in the same transcriptional orientation as white. First, we have analyzed the effects of the w a copia insertion on levels of polyadenylated white transcripts and find large, developmentally programmed effects. Second, we have isolated and sequenced an LTR-excision event involving the copia insertion at wa. This represents the first documented case of an LTR-excision event in Drosophila. This single copia LTR has developmentally programmed effects on white transcript levels qualitatively similar to the intact copia element. Third, we have characterized the structures of white transcripts from wa. We find polyadenylated white transcripts apparently having 3' termini in or near the 3' LTR of the wa copia insertion, as has been reported in limited studies of wa transcription in adults by others. These earlier studies also revealed wa transcripts apparently corresponding to polyadenylated terminus formation in the 5' LTR of the copia transposon; however, our more detailed studies reveal that these transcripts probably have other origins and that little, if any, polyadenylated terminus formation for white transcripts occurs in the 5' LTR of the wa copia insertion. Moreover, we find no polyadenylated terminus formation for white transcripts occurring in the single LTR of the wa LTR-excision product. Fourth, we find that each of three mutant alleles at su(wa) produces elevated levels of several classes of RNAs apparently corresponding to transcriptional readthrough of the wa copia transposon. Elevated levels of one presumptive readthrough transcript were observed previously in one su(w a)1 mutant strain. Fifth, we have confirmed the existence of a transcript initiated in the 3' LTR of the wa copia insertion and find the levels of this transcript to be strongly influenced by developmental stage and genetic background. Lastly, we have analyzed white transcripts produced by the whd81b11

  10. Mathematical model for characterizing noise transmission into finite cylindrical structures

    NASA Astrophysics Data System (ADS)

    Li, Deyu; Vipperman, Jeffrey S.

    2005-02-01

    This work presents a theoretical study of the sound transmission into a finite cylinder under coupled structural and acoustic vibration. Particular attention of this study is focused on evaluating a dimensionless quantity, ``noise reduction,'' for characterizing noise transmission into a small cylindrical enclosure. An analytical expression of the exterior sound pressure resulting from an oblique plane wave impinging upon the cylindrical shell is first presented, which is approximated from the exterior sound pressure for an infinite cylindrical structure. Next, the analytical solution of the interior sound pressure is computed using modal-interaction theory for the coupled structural acoustic system. These results are then used to derive the analytical formula for the noise reduction. Finally, the model is used to predict and characterize the sound transmission into a ChamberCore cylindrical structure, and the results are compared with experimental data. The effects of incidence angle and internal acoustic damping on the sound transmission into the cylinder are also parametrically studied. .

  11. 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. Copyright © 2016 Elsevier Ltd. All rights reserved.

  12. Carborane-based design of a potent vitamin D receptor agonist† †Accession number. The coordinates and structure factors are deposited in the Protein Data Bank under the accession code 5E7V. ‡ ‡Electronic supplementary information (ESI) available: Experimental procedures, computational details, spectroscopic data and copies of 1H and 13C NMR spectra and characterization data for all new compounds. See DOI: 10.1039/c5sc03084f Click here for additional data file.

    PubMed Central

    Otero, Rocio; Seoane, Samuel; Sigüeiro, Rita; Belorusova, Anna Y.; Maestro, Miguel A.; Pérez-Fernández, Roman

    2016-01-01

    The vitamin D nuclear receptor (VDR) is a potential target for cancer therapy. It is expressed in many tumors and its ligand shows anticancer actions. To combine these properties with the application of boron neutron capture therapy (BNCT), we design and synthesize a potent VDR agonist based on the skeleton of the hormone 1α,25-dihydroxyvitamin D3 (1,25D) and an o-carborane (dicarba-o-closo-1,2-dodecaborane) at the end of its side chain. The present ligand is the first secosteroidal analog with the carborane unit that efficiently binds to VDR and functions as an agonist with 1,25D-like potency in transcriptional assay on vitamin D target genes. Moreover it exhibits similar antiproliferative and pro-differentiating activities but is significantly less hypercalcemic than 1,25D. The crystal structure of its complex with VDR ligand binding domain reveals its binding mechanism involving boron-mediated dihydrogen bonds that mimic vitamin D hydroxyl interactions. In addition to the therapeutic interest, this study establishes the basis for the design of new unconventional vitamin D analogs containing carborane moieties for specific molecular recognition, and drug research and development. PMID:28808527

  13. Characterizing Thematized Derivative Schema by the Underlying Emergent Structures

    ERIC Educational Resources Information Center

    Garcia, Mercedes; Llinares, Salvador; Sanchez-Matamoros, Gloria

    2011-01-01

    This paper reports on different underlying structures of the derivative schema of three undergraduate students that were considered to be at the trans level of development of the derivative schema (action-process-object-schema). The derivative schema is characterized in terms of the students' ability to explicitly transfer the relationship between…

  14. Faculty Perceptions of Students: Structure of Faculty Characterizations, Part III.

    ERIC Educational Resources Information Center

    Davis, Junius A.

    The structure of characterizations of college students by faculty members, particularly observable and significant dimensions or trait patterns, were investigated. Student ratings by faculty members on 80 bi-polar traits, together with Scholastic Aptitude Test (SAT) scores and high school and college freshman average grades, were obtained.…

  15. Characterizing Thematized Derivative Schema by the Underlying Emergent Structures

    ERIC Educational Resources Information Center

    Garcia, Mercedes; Llinares, Salvador; Sanchez-Matamoros, Gloria

    2011-01-01

    This paper reports on different underlying structures of the derivative schema of three undergraduate students that were considered to be at the trans level of development of the derivative schema (action-process-object-schema). The derivative schema is characterized in terms of the students' ability to explicitly transfer the relationship between…

  16. The GEISEIR Cruise: Detailed Investigation of the Southeast Indian Ridge Seeking for a Geochemical Scan of the Upper Mantle Structure

    NASA Astrophysics Data System (ADS)

    Hemond, C.; Albarede, F.

    2008-12-01

    Isotopic heterogeneities along mid-ocean ridges reflect the dynamics of the underlying mantle. Present studies on the Mid Atlantic Ridge obtained on a 50 km step sampling (nearly 500 isotopic analyses of Pb, Nd, Hf and Sr) have revealed that they are dominated by a range of wavelengths between 600 and 5 000 km, which we interpret as reflecting the stretching and refolding of ancient lithospheric plates by mantle convection. It is time to go back to the ridges to deepen our knowledge of the fine mantle source structure underneath them. Graham and Lyon coworkers (2006) recently discovered that, along the South-East Indian Ridge (SEIR), Hf isotope compositions of MORB toggle over some 3000 km between two groups of values separated by a prominent gap. We interpret this pattern as reflecting the presence of striations between isotopically distinct mantle sources. The cumulated number of "toggles" is proportional to the distance along the ridge, which demonstrates the Poissonian character of the striation occurrences (random mixing). This GEISEIR cruise aims at further exploring the hypothesis that the unique isotopic patterns observed along the SEIR reveal striations between ancient mantle sources and recycled material. The isotopic analysis of the 150 samples recovered by the cruises Boomerang 6 and Westward 10 between St Paul and the Australia- Antarctica Discordance is completed. We consider, however, that the present sampling (roughly at a 50 km step) is too crude for an efficient spectral analysis of the data set. In order to improve this, the GEISEIR cruise will allow us to fill up a few existing gaps at 50 km intervals between 82 et 89° E but also to sample the ridge with a step of 10 km between 89° et 96° E and a step of 5 km between 96 and 99° E. This will allow us to obtain statistical distributions for isotope compositions and to assess the effect of sample density by a local decimation of the data. This cruise is scheduled for January-February 2009 on

  17. A new method for the characterization of micro-/nano-periodic structures based on microscopic Moiré fringes.

    PubMed

    Wu, Dan; Xie, Huimin; Tang, Minjin; Hu, Zhenxing

    2014-01-01

    Linewidth and opening ratio (ratio of linewidth to period) are important parameters in characterizing micro-/nano-periodic and quasi-periodic structures. Periodic structures are conventionally characterized by the direct observation of specimens under a microscope. However, the field of view is relatively small, and only certain details can be acquired under a microscope. Moreover, the non-uniformity of the linewidth in quasi-periodic structures cannot be detected. This paper proposes a new characterization method for determining the linewidth and opening ratio of periodic structures based on Moiré fringe analysis. This method has the advantage of full-field characterization of the linewidth of micro-/nano-structures over a larger area than that afforded by direct observation. To validate the method, the linewidth of scanning electron microscope (SEM) scan lines was first calibrated with a standard grating. Next, a microperiodic structure with known geometry was characterized using this calibrated SEM system. The results indicate that the proposed method is simple and effective, indicating a potential approach for the characterization of gratings over large areas. This technique can be extended to various high-power scanning microscopes to characterize micro-/nano-structures.

  18. Structural characterization of GNNQQNY amyloid fibrils by magic angle spinning NMR.

    PubMed

    van der Wel, Patrick C A; Lewandowski, Józef R; Griffin, Robert G

    2010-11-09

    Several human diseases are associated with the formation of amyloid aggregates, but experimental characterization of these amyloid fibrils and their oligomeric precursors has remained challenging. Experimental and computational analysis of simpler model systems has therefore been necessary, for instance, on the peptide fragment GNNQQNY7−13 of yeast prion protein Sup35p. Expanding on a previous publication, we report here a detailed structural characterization of GNNQQNY fibrils using magic angle spinning (MAS) NMR. On the basis of additional chemical shift assignments we confirm the coexistence of three distinct peptide conformations within the fibrillar samples, as reflected in substantial chemical shift differences. Backbone torsion angle measurements indicate that the basic structure of these coexisting conformers is an extended β-sheet. We structurally characterize a previously identified localized distortion of the β-strand backbone specific to one of the conformers. Intermolecular contacts are consistent with each of the conformers being present in its own parallel and in-register sheet. Overall the MAS NMR data indicate a substantial difference between the structure of the fibrillar and crystalline forms of these peptides, with a clearly increased complexity in the GNNQQNY fibril structure. These experimental data can provide guidance for future work, both experimental and theoretical, and provide insights into the distinction between fibril growth and crystal formation.

  19. Is Neisseria gonorrhoeae Initiating a Future Era of Untreatable Gonorrhea?: Detailed Characterization of the First Strain with High-Level Resistance to Ceftriaxone ▿ †

    PubMed Central

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

    2011-01-01

    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

  20. Characterization of an In Vitro Differentiation Assay for Pancreatic-Like Cell Development from Murine Embryonic Stem Cells: Detailed Gene Expression Analysis

    PubMed Central

    Chen, Chialin; Chai, Jing; Singh, Lipi; Kuo, Ching-Ying; Jin, Liang; Feng, Tao; Marzano, Scott; Galeni, Sheetal; Zhang, Nan; Iacovino, Michelina; Qin, Lihui; Hara, Manami; Stein, Roland; Bromberg, Jonathan S.; Kyba, Michael

    2011-01-01

    Abstract Embryonic stem (ES) cell technology may serve as a platform for the discovery of drugs to treat diseases such as diabetes. However, because of difficulties in establishing reliable ES cell differentiation methods and in creating cost-effective plating conditions for the high-throughput format, screening for molecules that regulate pancreatic beta cells and their immediate progenitors has been limited. A relatively simple and inexpensive differentiation protocol that allows efficient generation of insulin-expressing cells from murine ES cells was previously established in our laboratories. In this report, this system is characterized in greater detail to map developmental cell stages for future screening experiments. Our results show that sequential activation of multiple gene markers for undifferentiated ES cells, epiblast, definitive endoderm, foregut, and pancreatic lineages was found to follow the sequence of events that mimics pancreatic ontogeny. Cells that expressed enhanced green fluorescent protein, driven by pancreatic and duodenal homeobox 1 or insulin 1 promoter, correctly expressed known beta cell lineage markers. Overexpression of Sox17, an endoderm fate-determining transcription factor, at a very early stage of differentiation (days 2–3) enhanced pancreatic gene expression. Overexpression of neurogenin3, an endocrine progenitor cell marker, induced glucagon expression at stages when pancreatic and duodenal homeobox 1 message was present (days 10–16). Forced expression (between days 16 and 25) of MafA, a pancreatic maturation factor, resulted in enhanced expression of insulin genes, glucose transporter 2 and glucokinase, and glucose-responsive insulin secretion. Day 20 cells implanted in vivo resulted in pancreatic-like cells. Together, our differentiation assay recapitulates the proceedings and behaviors of pancreatic development and will be valuable for future screening of beta cell effectors. PMID:21395400

  1. 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.

  2. Characterizing Canopy Structure Using Waveform LiDAR

    NASA Astrophysics Data System (ADS)

    Wang, K.; Kumar, P.

    2016-12-01

    The structure of light penetration through the canopy plays an important role in water, carbon, and energy fluxes between the biosphere and the atmosphere. Canopy clumping, a description of foliage distribution, is one of the major aspects of canopy structure that significantly influence light and vegetation interaction. Airborne full-waveform LiDAR data contains large amounts of vegetation structural information, and is a powerful tool for providing detailed foliage distribution information for large areas of vegetation. In this study, we present a method for describing physical canopy clumping structure for individual trees that can resolve fine scale variations in foliage distribution. We first utilize the K-means clustering algorithm to extract structure from the large amounts of vegetation data provided by full-waveform LiDAR. Then we find representative traits for data clusters and use them to classify the clusters into three groups. Based on these traits, we draw conclusions about physical representations of each group, and identify two groups to contain structurally significant clusters. This study demonstrates that large amounts of canopy structural information can be extracted from waveform LiDAR data. The fine resolution canopy clumping structure found by the method described in this work can be used as valuable input for ecological models.

  3. Preliminary Characterization and Classification Scheme for Tectonic Structures on Enceladus

    NASA Astrophysics Data System (ADS)

    Nahm, A.; Kattenhorn, S. A.

    2013-12-01

    The ice shell of Enceladus has experienced widespread and diverse tectonic deformation. Its leading and trailing hemispheres are pervasively fractured and these are separated by older cratered terrains on the sub- and anti-Saturnian hemispheres that exhibit relatively little tectonic deformation. The south polar terrain (SPT) is tectonically complex, geologically active, and is separated from the rest of Enceladus by the south polar dichotomy. The diversity of structures visible on the surface attests to a complicated and perhaps long-lived tectonic history. Currently, no fundamental classification scheme based on formation mechanisms exists for the tectonic structures on Enceladus, as does for Europa, which limits analysis and discussion of tectonic structures and the regional and global tectonic history. Characterization and classification of structures based on their formation mechanisms allows for the stress states (orientation, magnitude, and sense) responsible for their formation to be inferred. Thus, characterizing and classifying structures on Enceladus is a major first step in understanding its tectonic history. Here, we present a preliminary global classification scheme for tectonic structures on Enceladus. The basemap used for our preliminary structure classification was the global Imaging Science Subsystem (ISS) mosaic obtained from Ciclops (110 mpp; http://www.ciclops.org/view/7590/Map_of_Enceladus_-_December_2011?js=1). The structures observed on the surface have been divided into fifteen classes based on morphology. These classes represent the diversity of structure morphology on Enceladus and include the 'tiger stripes' in the SPT, the arcuate ridges that make up the south polar dichotomy, wide fracture complexes, several classes of narrow fractures, curvilinear subparallel fractures, rifts that extend north from the SPT boundary, terrain reminiscent of Ganymede's grooved terrain, and topographic ridges with multiple orientations. The preliminary

  4. Structural characterization of Zn-In-Se thin films

    NASA Astrophysics Data System (ADS)

    Güllü, H. H.; Parlak, M.

    2017-02-01

    In this study, structural properties of the Zn-In-Se (ZIS) thin films deposited by thermal evaporation method were investigated. The as-grown and annealed ZIS films were found in polycrystalline structure with the main orientation in (112) direction. The compositional analysis of the films showed that they were in Zn-rich behavior and there was a slight change in the elemental contribution to the structure with annealing process. Raman analysis was carried out to determine the crystalline structure and the different vibration modes of ZIS thin films. According to these measurements, the highest Raman intensity was in the LO mode which was directly proportional to the crystallinity of the samples. The atomic force microscopy (AFM) analyses were done in order to obtain detailed information about the morphology of the thin film surface. The surface of the films was observed as nearly-smooth and uniform in as-grown and annealed forms. X-ray photoelectron spectroscopy (XPS) measurements were analyzed to get detailed information about surface and near-surface characteristics of the films. The results from the surface and depth compositional analyses of the films showed quite good agreement with the energy dispersive X-ray spectroscopy (EDS) analysis.

  5. 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

  6. Synthesis and characterization of a new structure of gas hydrate.

    PubMed

    Yang, L; Tulk, C A; Klug, D D; Moudrakovski, I L; Ratcliffe, C I; Ripmeester, J A; Chakoumakos, B C; Ehm, L; Martin, C D; Parise, J B

    2009-04-14

    Atoms and molecules <0.9 nm in diameter can be incorporated in the cages formed by hydrogen-bonded water molecules making up the crystalline solid clathrate hydrates. For these materials crystallographic structures generally fall into 3 categories, which are 2 cubic forms and a hexagonal form. A unique clathrate hydrate structure, previously known only hypothetically, has been synthesized at high pressure and recovered at 77 K and ambient pressure in these experiments. These samples contain Xe as a guest atom and the details of this previously unobserved structure are described here, most notably the host-guest ratio is similar to the cubic Xe clathrate starting material. After pressure quench recovery to 1 atmosphere the structure shows considerable metastability with increasing temperature (T <160 K) before reverting back to the cubic form. This evidence of structural complexity in compositionally similar clathrate compounds indicates that the reaction path may be an important determinant of the structure, and impacts upon the structures that might be encountered in nature.

  7. Synthesis and characterization of a new structure of gas hydrate

    PubMed Central

    Yang, L.; Tulk, C. A.; Klug, D. D.; Moudrakovski, I. L.; Ratcliffe, C. I.; Ripmeester, J. A.; Chakoumakos, B. C.; Ehm, L.; Martin, C. D.; Parise, J. B.

    2009-01-01

    Atoms and molecules <0.9 nm in diameter can be incorporated in the cages formed by hydrogen-bonded water molecules making up the crystalline solid clathrate hydrates. For these materials crystallographic structures generally fall into 3 categories, which are 2 cubic forms and a hexagonal form. A unique clathrate hydrate structure, previously known only hypothetically, has been synthesized at high pressure and recovered at 77 K and ambient pressure in these experiments. These samples contain Xe as a guest atom and the details of this previously unobserved structure are described here, most notably the host-guest ratio is similar to the cubic Xe clathrate starting material. After pressure quench recovery to 1 atmosphere the structure shows considerable metastability with increasing temperature (T <160 K) before reverting back to the cubic form. This evidence of structural complexity in compositionally similar clathrate compounds indicates that the reaction path may be an important determinant of the structure, and impacts upon the structures that might be encountered in nature. PMID:19332791

  8. Structural Characterization of Carbohydrates by Fourier Transform Tandem Mass Spectrometry

    PubMed Central

    Zhou, Wen; Håkansson, Kristina

    2012-01-01

    Fourier transform tandem mass spectrometry (MS/MS) provides high mass accuracy, high sensitivity, and analytical versatility and has therefore emerged as an indispensable tool for structural elucidation of biomolecules. Glycosylation is one of the most common posttranslational modifications, occurring in ~50% of proteins. However, due to the structural diversity of carbohydrates, arising from non-template driven biosynthesis, achievement of detailed structural insight is highly challenging. This review briefly discusses carbohydrate sample preparation and ionization methods, and highlights recent developments in alternative high-resolution MS/MS strategies, including infrared multiphoton dissociation (IRMPD), electron capture dissociation (ECD), and electron detachment dissociation (EDD), for carbohydrates with a focus on glycans and proteoglycans from mammalian glycoproteins. PMID:22389641

  9. Review of Ship Structural Details

    DTIC Science & Technology

    1977-01-01

    piece may have to be tapered tc assure continuity. 3-103 -*. te *. ’ |g||i||g|j^g —i -■■ -— — ~ ■ - aMUjJwM DECK I- LATINO t SNIPE fi"*li. \\ z...7.1.2 Ail :- ingle bottom vessels are to have center keelsons formed of continuous .ir intercostal center girder plates with horizontal top plates

  10. 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

  11. Structural and functional characterization of the monomeric U-box domain from E4B†

    PubMed Central

    Nordquist, Kyle A.; Dimitrova, Yoana N.; Brzovic, Peter S.; Ridenour, Whitney B.; Munro, Kim A.; Soss, Sarah E.; Caprioli, Richard M.; Klevit, Rachel E.; Chazin, Walter J.

    2009-01-01

    Substantial evidence has accumulated indicating a significant role for oligomerization in the function of E3 ubiquitin ligases. Among the many characterized E3 ligases, the yeast U-box protein Ufd2 and its mammalian homolog E4B appear to be unique in functioning as monomers. An E4B U-box domain construct (E4BU) has been sub-cloned, over-expressed in E. Coli and purified, which enabled determination of a high resolution NMR solution structure and detailed biophysical analysis. E4BU is a stable monomeric protein that folds into the same structure observed for other structurally characterized U-box domains, all of which are homodimers. Multiple sequence alignment combined with comparative structural analysis reveals substitutions in the sequence that inhibit dimerization. The interaction between E4BU and the E2 conjugating enzyme UbcH5c has been mapped using NMR and this data has been used to generate a structural model for the complex. The E2 binding site is found to be similar to that observed for dimeric U-box and RING domain E3 ligases. Despite the inability to dimerize, E4BU was found to be active in a standard autoubiquitination assay. The structure of E4BU and its ability to function as a monomer are discussed in light of the ubiquitous observation of U-box and RING domain oligomerization. PMID:20017557

  12. 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.

  13. Detailed analysis of the IL-5-IL-5R alpha interaction: characterization of crucial residues on the ligand and the receptor.

    PubMed Central

    Cornelis, S; Plaetinck, G; Devos, R; Van der Heyden, J; Tavernier, J; Sanderson, C J; Guisez, Y; Fiers, W

    1995-01-01

    The receptor for interleukin-5 (IL-5) is composed of two different subunits. The IL-5 receptor alpha (IL-5R alpha) is required for ligand-specific binding while association with the beta-chain results in increased binding affinity. Murine IL-5 (mIL-5) has similar activity on human and murine cells, whereas human IL-5 (hIL-5) has marginal activity on murine cells. We found that the combined substitution of K84 and N108 on hIL-5 by their respective murine counterpart yields a molecule which is as potent as mIL-5 for growth stimulation of a murine cell line. Since the unidirectional species specificity is due only to the interaction with the IL-5R alpha subunit, we have used chimeric IL-5R alpha molecules to define regions of hIL-5R alpha involved in species-specific hIL-5 ligand binding. We found that this property is largely determined by the NH2-terminal module of hIL-5R alpha, and detailed analysis defined D56 and to a lesser extent E58 as important for binding. Moreover, two additional residues, D55 and Y57, were identified by alanine scanning mutagenesis within the same region. Based on the observed homology between the NH2-terminal module and the membrane proximal (WSXWS-containing) module of hIL-5R alpha we located this stretch of four amino acid residues (D55, D56, Y57 and E58) in the loop region that connects the C and D beta-strands on the proposed tertiary structure of the NH2-terminal module.(ABSTRACT TRUNCATED AT 250 WORDS) Images PMID:7628440

  14. Detailed characterization of Act d 12 and Act d 13 from kiwi seeds: implication in IgE cross-reactivity with peanut and tree nuts.

    PubMed

    Sirvent, S; Cantó, B; Gómez, F; Blanca, N; Cuesta-Herranz, J; Canto, G; Blanca, M; Rodríguez, R; Villalba, M; Palomares, O

    2014-11-01

    Act d 12 (11S globulin) and Act d 13 (2S albumin) are two novel relevant allergens from kiwi seeds that might be useful to improve the diagnostic sensitivity and the management of kiwifruit-allergic patients. To perform a comprehensive structural and immunological characterization of purified Act d 12 and Act d 13 from kiwi seeds. Sera from 55 well-defined kiwifruit-allergic patients were used. Act d 12 and Act d 13 were purified by chromatographic procedures. Circular dichroism, mass spectrometry, concanavalin A detection, immunoblotting, enzyme-linked immunosorbent assays, basophil activation tests, and IgE-inhibition experiments were used. Act d 12 and Act d 13 were purified from kiwi seeds to homogeneity by combining size-exclusion, ion-exchange, and RP-HPLC chromatographies. Both purified allergens preserve the structural integrity and display typical features of their homologous counterparts from the 11S globulin and 2S albumin protein families, respectively. These allergens are released from kiwi seeds after oral and gastric digestion of whole kiwifruit, demonstrating their bioavailability after ingestion. The allergens retain the capacity to bind serum IgE from kiwifruit-allergic patients, induce IgE cross-linking in effector-circulating basophils, and display in vitro IgE cross-reactivity with homologous counterparts from peanut and tree nuts. Purified Act d 12 and Act d 13 from kiwi seeds are well-defined molecules involved in in vitro IgE cross-reactivity with peanut and tree nuts. Their inclusion in component-resolved diagnosis of kiwifruit allergy might well contribute to improve the diagnostic sensitivity and the management of kiwifruit-allergic patients. © 2014 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  15. 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.

  16. Better U-Pb Zircon Standards for SIMS and LA-ICPMS? Preliminary Results of Detailed Characterization and Pre-treatment using CA-TIMS

    NASA Astrophysics Data System (ADS)

    Mattinson, J. M.; Hourigan, J.; Wooden, J. L.

    2006-12-01

    U-Pb zircon dating using SIMS and LA-ICPMS requires calibrations against natural zircons of known age. Ideally, such zircons should be perfectly concordant -- free from Pb-loss, inheritance, or any other complications, and also accurately dated. In practice this can be problematic. Complexities can be difficult to detect by SIMS and LA-ICPMS analysis if they are at or below the level of precision of an individual analysis. In addition, conventional TIMS dating, used to date the standards, can be limited by residual minor Pb loss that has not been removed by conventional "pretreatments" such as air abrasion. CA-TIMS (Mattinson, 2005, Chem Geol 220, 47-66) utilizes high-T annealing of natural radiation damage, followed by partial dissolution in HF, and has proven highly successful at complete removal of zircon domains that have experienced Pb loss, both from the outer rims and also from the deep interiors of zircon grains. Thus, it is useful for detailed characterization of existing and potential zircon standards. Here, we also investigate the potential of CA-TIMS for pre-treating zircon standards prior to SIMS and LA-ICPMS analysis. Multi-step CA-TIMS analyses of Temora-2, R-33, and a possible new standard from the Klamath Mountains reveal minor Pb loss in the first few partial dissolution steps, then yield excellent 206Pb*/238 plateau ages, and concordant 207Pb*/206Pb* ages for the remaining steps. Additional aliquots of these zircons were then "pretreated" by CA-TIMS, with sufficient partial dissolution to remove all vestiges of Pb loss, based on the earlier experiments. A sample of AS-57 was pre-treated "blind" because it was received just prior to a scheduled SHRIMP session. All samples were then prepared in a single mount for SHRIMP analysis. Our preliminary results from a round-robin Stanford SHRIMP-RG session using Temora-2, R-33, AS-57, and the Klamath sample are very promising. The Temora-2 and Klamath zircons in particular yielded excellent reproducibility

  17. 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

  18. 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.

  19. Characterization of Slosh Damping for Ortho-Grid and Iso-Grid Internal Tank Structures

    NASA Technical Reports Server (NTRS)

    Westra, Douglas G.; Sansone, Marco D.; Eberhart, Chad J.; West, Jeffrey S.

    2016-01-01

    Grid stiffened tank structures such as Ortho-Grid and Iso-Grid are widely used in cryogenic tanks for providing stiffening to the tank while reducing mass, compared to tank walls of constant cross-section. If the structure is internal to the tank, it will positively affect the fluid dynamic behavior of the liquid propellant, in regard to fluid slosh damping. As NASA and commercial companies endeavor to explore the solar system, vehicles will by necessity become more mass efficient, and design margin will be reduced where possible. Therefore, if the damping characteristics of the Ortho-Grid and Iso-Grid structure is understood, their positive damping effect can be taken into account in the systems design process. Historically, damping by internal structures has been characterized by rules of thumb and for Ortho-Grid, empirical design tools intended for slosh baffles of much larger cross-section have been used. There is little or no information available to characterize the slosh behavior of Iso-Grid internal structure. Therefore, to take advantage of these structures for their positive damping effects, there is much need for obtaining additional data and tools to characterize them. Recently, the NASA Marshall Space Flight Center conducted both sub-scale testing and computational fluid dynamics (CFD) simulations of slosh damping for Ortho-Grid and Iso-Grid tanks for cylindrical tanks containing water. Enhanced grid meshing techniques were applied to the geometrically detailed and complex Ortho-Grid and Iso-Grid structures. The Loci-STREAM CFD program with the Volume of Fluid Method module for tracking and locating the water-air fluid interface was used to conduct the simulations. The CFD simulations were validated with the test data and new empirical models for predicting damping and frequency of Ortho-Grid and Iso-Grid structures were generated.

  20. Characterization of coherent structures in the cardiovascular system.

    PubMed

    Shadden, Shawn C; Taylor, Charles A

    2008-07-01

    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 understanding of flow features in large vessels beyond methods traditionally considered.

  1. 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.

  2. Characterization of Quadruplex DNA Structure by Circular Dichroism.

    PubMed

    Del Villar-Guerra, Rafael; Gray, Robert D; Chaires, Jonathan B

    2017-03-02

    Circular dichroism (CD) is a phenomenon that arises from the differential absorption of left- and right-handed circularly polarized light, and may be seen with optically active molecules. CD spectroscopy provides useful spectral signatures for biological macromolecules in solution, and provides low-resolution structural information about macromolecular conformation. CD spectroscopy is particularly useful for monitoring conformational changes in macromolecules upon environmental perturbations. G-quadruplex structures show unique CD spectral signatures, and CD is an important tool for characterizing their formation and global structure. This protocol offers step-by-step methods for determining reliable and reproducible CD spectra of quadruplex structures and normalizing the spectra for presentation. CD spectra properly normalized with respect to quadruplex concentration and path length are required to facilitate accurate comparison of results among laboratories. The standard operating procedures proposed are recommended to make such comparison accurate and informative. © 2017 by John Wiley & Sons, Inc. Copyright © 2017 John Wiley & Sons, Inc.

  3. Multiscale characterization of the hierarchical structure of Dynastes hercules elytra.

    PubMed

    Roux-Pertus, Charles; Oliviero, Erwan; Viguier, Véronique; Fernandez, Frédéric; Maillot, Frédéric; Ferry, Olivier; Fleutot, Solenne; Mano, João F; Cleymand, Franck

    2017-05-04

    Beetle elytra are thickened forewings, they are lightweight and tough to protect the hindwings without hindering flight capacities. Dynastes hercules elytra are known for their hygrochromic properties. However, the whole structure of the elytron remains to be characterized. Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM) and to our knowledge for the first time X-Ray tomography were undertaken on adult male Dynastes hercules to characterize their multi-scale structure. Trabeculae present a periodic arrangement over a short distance. Two inferred models describe the heights of plies in endocuticles of dorsal and ventral cuticles. We hypothesize that this study could provide inspiration for biomimetic materials. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. 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.

  5. [Structural characterization of an unknown metabolite of ciprofloxacin].

    PubMed

    Kees, F; Raasch, W; Grobecker, H

    1992-04-01

    The chemical structure of an unknown metabolite of ciprofloxacin (CAS 85721-33-1) is characterized by means of reversed phase ion pair liquid chromatography, absorption and fluorescence spectroscopy, partition coefficients as well as chemical and enzymatic hydrolytic degradation. A chemical structure of the unknown metabolite is proposed: N-formyl-desethylen-ciprofloxacin. It can be formed as an intermediate in the oxidative degradation of ciprofloxacin via oxociprofloxacin to desethylen-ciprofloxacin, or it may be formed by conjugation of desethylen-ciprofloxacin with formic acid. The amounts found in plasma and urine of patients were in the range of desethylen-ciprofloxacin, i.e. about 1% of the parent compound.

  6. Structural and functional characterization of synapse-associated protein-97

    NASA Astrophysics Data System (ADS)

    Wang, Lei

    Synapse-associated protein-97 (SAP97) as a scaffold protein plays an important role in regulating neural signal transmission in the central nervous system by coupling with activated membrane receptors, ion channels, and downstream signaling proteins. SAP97 consists of six functional domains: L27, PDZ1, PDZ2, PDZ3, SH3, and GK. Each of these domains mediates the interactions of SAP97 with other proteins. Understanding the molecular mechanism of these interactions in neural signal transmission is a goal of this study. Here high-resolution nuclear magnetic resonance spectroscopy and fluorescence anisotropy are employed towards the goal of the structural and functional characterization of SAP97; specifically, we (a) characterize the binding of the PDZ domains of SAP97 with the C-terminus of NR2B, and determine the structure of the PDZ1-NR2B; (b) characterize the binding of the PDZ domains with the C-terminus of stargazin and multiple mutants, and identify the perturbed amino acids in PDZ2 upon the binding of stargazin; (c) characterize the binding specificity carried by the beta2/beta3 loop of the PDZ3 domain. These results provide insight into the molecular mechanism for the binding specificities of the PDZ domains of SAP97, thereby furthering the development of drugs that target these domains to treat neurological diseases.

  7. 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.

  8. Aerobic Decomposition of Trialkylquercetins: Structure Characterization and Antiproliferative Effect.

    PubMed

    Al-Jabban, Sami M R; Zhang, Xiaojie; Chen, Guanglin; Rakotondraibe, Liva Harinantenaina; Chen, Qiao-Hong

    2016-04-01

    The aerobic decomposition of 3,4',7-O-trialkylquercetins was first reported in this paper. The structures of four new decomposed products were characterized by analyzing the 1D and 2D NMR data, as well as their high resolution mass spectroscopic data. Their antiproliferative activity toward human prostate cancer cells has been assessed through WST-l cell proliferation assay. The decomposition mechanism was also proposed.

  9. 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.

  10. Electrochemical and structural characterization of Azotobacter vinelandii flavodoxin II

    PubMed Central

    Segal, Helen M.; Spatzal, Thomas; Hill, Michael G.; Udit, Andrew K.

    2017-01-01

    Abstract Azotobacter vinelandii flavodoxin II serves as a physiological reductant of nitrogenase, the enzyme system mediating biological nitrogen fixation. Wildtype A. vinelandii flavodoxin II was electrochemically and crystallographically characterized to better understand the molecular basis for this functional role. The redox properties were monitored on surfactant‐modified basal plane graphite electrodes, with two distinct redox couples measured by cyclic voltammetry corresponding to reduction potentials of −483 ± 1 mV and −187 ± 9 mV (vs. NHE) in 50 mM potassium phosphate, 150 mM NaCl, pH 7.5. These redox potentials were assigned as the semiquinone/hydroquinone couple and the quinone/semiquinone couple, respectively. This study constitutes one of the first applications of surfactant‐modified basal plane graphite electrodes to characterize the redox properties of a flavodoxin, thus providing a novel electrochemical method to study this class of protein. The X‐ray crystal structure of the flavodoxin purified from A. vinelandii was solved at 1.17 Å resolution. With this structure, the native nitrogenase electron transfer proteins have all been structurally characterized. Docking studies indicate that a common binding site surrounding the Fe‐protein [4Fe:4S] cluster mediates complex formation with the redox partners Mo‐Fe protein, ferredoxin I, and flavodoxin II. This model supports a mechanistic hypothesis that electron transfer reactions between the Fe‐protein and its redox partners are mutually exclusive. PMID:28710816

  11. Structural characterization of membrane-bound human immunodeficiency virus-1 Gag matrix with neutron reflectometry

    PubMed Central

    Eells, Rebecca; Barros, Marilia; Scott, Kerry M.; Karageorgos, Ioannis; Heinrich, Frank; Lösche, Mathias

    2017-01-01

    The structural characterization of peripheral membrane proteins represents a tremendous challenge in structural biology due to their transient interaction with the membrane and the potential multitude of protein conformations during this interaction. Neutron reflectometry is uniquely suited to address this problem because of its ability to structurally characterize biological model systems nondestructively and under biomimetic conditions that retain full protein functionality. Being sensitive to only the membrane-bound fraction of a water-soluble peripheral protein, neutron reflectometry obtains a low-resolution average structure of the protein-membrane complex that is further refined using integrative modeling strategies. Here, the authors review the current technological state of biological neutron reflectometry exemplified by a detailed report on the structure determination of the myristoylated human immunodeficiency virus-1 (HIV-1) Gag matrix associated with phosphoserine-containing model membranes. The authors found that the HIV-1 Gag matrix is able to adopt different configurations at the membrane in a pH-dependent manner and that the myristate group orients the protein in a way that is conducive to PIP2-binding. PMID:28511544

  12. Statistical characterizations of rainfall structure over two tropical stations in southern India for microwave communication

    NASA Astrophysics Data System (ADS)

    Ojo, J. S.; Ajewole, M. O.; Sarkar, S. K.

    2010-08-01

    Statistical characterizations of rainfall structure over two tropical stations in southern India are reported in this paper based on the 2-year rainfall data. The statistical characterizations has been based on cumulative distribution function, exceedance of threshold values, dependence of the intensity of rainfall on the event duration, seasonal variability, and worst months concept as well as diurnal variability. These results are needed to give the detailed insights to the system designers for the development of communication gadgets needed for better service, serve as a vital tool to estimate signal outages in a year over the region and for proper planning of radio communication in the region. Finally, the study shows that the recent International Telecommunications Union Recommendations (ITU-R) value underestimated rain rate for 0.01% exceedance for the two locations.

  13. Air Vehicle Integration and Technology Research (AVIATR). Task Order 0023: Predictive Capability for Hypersonic Structural Response and Life Prediction: Phase 2 - Detailed Design of Hypersonic Cruise Vehicle Hot-Structure

    DTIC Science & Technology

    2012-02-01

    Structural Response and Life Prediction: Phase II – Detailed Design of Hypersonic Cruise Vehicle Hot-Structure Rob Quiroz , Jon Embler, Rich Jacobs...5a. CONTRACT NUMBER FA8650-08-D-3857-0023 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 62201F 6. AUTHOR(S) Rob Quiroz , Jon Embler, Rich...officer for the program has been Ms. Genet Stewart. The Boeing team was composed of a core group consisting of Rob Quiroz , Rick Jacobs, George

  14. 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

  15. 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.

  16. Structural characterization of terrestrial microbial Mn oxides from Pinal Creek, AZ

    USGS Publications Warehouse

    Bargar, J.R.; Fuller, C.C.; Marcus, M.A.; Brearley, A.J.; Perez De la Rosa, M.; Webb, S.M.; Caldwell, W.A.

    2009-01-01

    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 ?? 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-?? 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 Mn oxides 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. ?? 2008 Elsevier Ltd.

  17. 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.

  18. (abstract) Characterization of Structural Response for Systems with Loose Joints

    NASA Technical Reports Server (NTRS)

    Bruno, Robin J.

    1995-01-01

    This paper describes a technique to locate and characterize loose joints in a large truss structure to generate an accurate structural model. The joint looseness is modeled as a gap in the member that opens and closes depending on the loading. Arbitrarily placed actuators are used to prestress the structure to first linearize the response. Next the actuator displacements are systematically reduced while monitoring the displacement response. The gap locations are determined by comparing the measured displacements with sets of calculated displacements and the sizes are estimated by monitoring the gap member length changes using the appropriate linear force-displacement relationship for the load level. The effect of measurement error in the truss displacements and the actuator length changes are investigated.

  19. 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.

  20. 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.

  1. 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.

  2. Characterization of photonic amorphous structures with different characteristic lengths

    NASA Astrophysics Data System (ADS)

    Wen, Cheng-Chi; Hung, Yu-Chueh

    2016-04-01

    Photonic amorphous structure (PAS) has attracted increasing research attention due to their interesting characteristics, such as noniridescent structural colors and isotropic photonic band gap. In this work, we present PAS with different characteristic lengths and analyze their structural and topological properties. First, a Fourier spectral method was used to solve Cahn-Hilliard equation and generate a spinodal binary phase structure. By changing the time of the evolution of phase field, mobility, and standard deviation, the characteristic length of amorphous structures can be adjusted. We present the numerical analysis based on finite-difference time-domain (FDTD) method to characterize the density of state (DOS) of PAS based on different time of the evolution of phase field. The corresponding spatial Fourier spectrum of PAS is calculated to examine the characteristic length, and the photonic band gap properties will be discussed in association with the characteristic length. These results are crucial for design of new optical materials display devices base on dielectric amorphous photonic structures.

  3. 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

  4. Characterization of graphene-nanoplatelets structure via thermogravimetry.

    PubMed

    Shtein, Michael; Pri-Bar, Ilan; Varenik, Maxim; Regev, Oren

    2015-04-21

    The rapid increase in graphene-based applications has been accompanied by novel top-down manufacturing methods for graphene and its derivatives (e.g., graphene nanoplatelets (GnPs)). The characterization of the bulk properties of these materials by imaging and surface techniques (e.g., electron microscopy and Raman spectroscopy) is only possible through laborious and time-consuming statistical analysis, which precludes simple and efficient quality control during GnP production. We report that thermogravimetry (TG) may be utilized, beyond its conventional applications (e.g., quantification of impurities or surfactants, or labile functional groups) to characterize bulk GnP properties. We characterize the structural parameters of GnP (i.e., defect density, mean lateral dimension, and polydispersity) by imaging and surface techniques, on one hand, and by a systematic TG, on the other. The combined data demonstrate that the combustion temperature of commercially available and laboratory-prepared GnPs is correlated with their mean lateral dimension and defect density, while the combustion temperature range is proportional to their polydispersity index. Mapping all these parameters allows one to evaluate the GnPs' structure following a simple thermogravimetric experiment (without necessitating further statistical analysis). Finally, TG is also used to detect and quantify different GnP constituents in powder and to conduct rapid quality-control tests during GnP production.

  5. Synthesis and structural characterization of hydrolysis products within the uranyl iminodiacetate and malate systems.

    PubMed

    Unruh, Daniel K; Gojdas, Kyle; Flores, Erin; Libo, Anna; Forbes, Tori Z

    2013-09-03

    The interplay of hydrolysis and chelation by organic ligands results in the formation of novel uranium species in aqueous solutions. Many of these molecular complexes have been identified by spectroscopic and potentiometric techniques, but a detailed structural understanding of these species is lacking. Identification of possible uranyl hydrolysis products in the presence of organic functional groups has been achieved by the crystallization of molecular species into a solid-state compound, followed by structural and chemical characterization of the material. The structures of three novel molecular complexes containing either iminodiacetate (ida) (Na3[(UO2)3(OH)3(ida)3]·8H2O (1)) or malate (mal) (K(pip)2[(UO2)3O(mal)3]·6H2O (2a) (pip = C4N2H12), (2b) (pip)3[(UO2)3O(mal)3]·H2O, and (pip)6[(UO2)11(O)4(OH)4(mal)6(CO3)2]·23H2O (3)) ligands have been determined by single-crystal X-ray diffraction and have been chemically characterized by IR, Raman, and NMR spectroscopies. A major structural component in compounds 1 and 2 is a trimeric 3:3 uranyl ida or mal species, but different bridging groups between the metal centers create variations in the structural topologies of the molecular units. Compound 3 contains a large polynuclear cluster with 11 U atoms, which is composed of trimeric and pentameric building units chelated by mal ligands and linked through hydroxyl groups and carbonate anions. The characterized compounds represent novel structural topologies for U(6+) hydrolysis products that may be important molecular species in near-neutral aqueous systems.

  6. Ring Details on Display

    NASA Image and Video Library

    2016-11-07

    This view from NASA's Cassini spacecraft showcases some of the amazingly detailed structure of Saturn's rings. The rings are made up of many smaller ringlets that blur together when seen from a distance. But when imaged up close, the rings' structures display quite a bit of variation. Ring scientists are debating the nature of these features -- whether they have always appeared this way or if their appearance has evolved over time. This view looks toward the sunlit side of the rings from about 4 degrees above the ring plane. The image was taken in visible light with the Cassini spacecraft wide-angle camera on Sept. 24, 2016. The view was acquired at a distance of approximately 283,000 miles (456,000 kilometers) from Saturn and at a Sun-Saturn-spacecraft, or phase, angle of 32 degrees. Image scale is 17 miles (27 kilometers) per pixel. http://photojournal.jpl.nasa.gov/catalog/PIA20506

  7. Detailed transient heme structures of Mb-CO in solution after CO dissociation: an X-ray transient absorption spectroscopic study.

    PubMed

    Stickrath, Andrew B; Mara, Michael W; Lockard, Jenny V; Harpham, Michael R; Huang, Jier; Zhang, Xiaoyi; Attenkofer, Klaus; Chen, Lin X

    2013-04-25

    Although understanding the structural dynamics associated with ligand photodissociation is necessary in order to correlate structure and function in biological systems, few techniques are capable of measuring the ultrafast dynamics of these systems in solution-phase at room temperature. We present here a detailed X-ray transient absorption (XTA) study of the photodissociation of CO-bound myoglobin (Fe(II)CO-Mb) in room-temperature aqueous buffer solution with a time resolution of 80 ps, along with a general procedure for handling biological samples under the harsh experimental conditions that transient X-ray experiments entail. The XTA spectra of (Fe(II)CO-Mb) exhibit significant XANES and XAFS alterations following 527 nm excitation, which remain unchanged for >47 μs. These spectral changes indicate loss of the CO ligand, resulting in a five-coordinate, domed heme, and significant energetic reorganization of the 3d orbitals of the Fe center. With the current experimental setup, each X-ray pulse in the pulse train, separated by ~153 ns, can be separately discriminated, yielding snapshots of the myoglobin evolution over time. These methods can be easily applied to other biological systems, allowing for simultaneous structural and electronic measurements of any biological system with both ultrafast and slow time resolutions, effectively mapping out all of the samples' relevant physiological processes.

  8. 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

    2016-05-06

    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.

  9. Revealing the Detailed Structure of the Galactic Core-Collapse Supernova Remnant G292.0+1.8 with X-Ray Mapping

    NASA Astrophysics Data System (ADS)

    Bhalerao, Jayant; Park, Sangwook; Schenck, Andrew

    2017-01-01

    We present our results on the adaptive-mesh mapping of the chemical composition and thermodynamic parameters of the Galactic core-collapse supernova remnant G292.0+1.8 using our deep Chandra observation. Our maps cover the entire supernova remnant and show the detailed spatial distributions of the metal-rich ejecta, circumstellar medium, and the X-ray pulsar wind nebula-dominated regions. Our results suggest radial and azimuthal variations in the ejecta composition and the thermodynamic parameters, underscoring the rich and complex nature of this text book type supernova remnant. Combining our results from this study and our previous work on the ejecta radial velocity distribution (derived from our Chandra HETG data), we discuss the three dimensional structure of the remnant. Some implications on the nature of the progenitor star and explosion scenarios are discussed.

  10. High-density properties of integral-equation theories of fluids: Universal analytic structure and details for the one-component plasma

    NASA Astrophysics Data System (ADS)

    Rosenfeld, Yaakov

    1986-03-01

    We study the analytic properties of the hypernetted-chain (HNC) and soft-mean-spherical (SMSA) theories in the asymptotic high-density limit (AHDL). The scaling properties of the inverse power potentials lead to the introduction of the SMSA-Ewald functions, which correspond to the ``overlap-volume'' functions for hard spheres. The HNC and SMSA theories for soft interactions, as well as the Percus-Yevick theory for hard spheres, feature the same AHDL analytic structure of the pair correlation functions, which is dictated by the hard-sphere Ewald functions. The general discussion is supplemented by detailed results for the one-component plasma. Implications to the analysis of the density-functional theory, of dense matter, near its exact Thomas-Fermi limit are pointed out.

  11. Comparing the Performance of Three Land Models in Global C Cycle Simulations: A Detailed Structural Analysis: Structural Analysis of Land Models

    SciTech Connect

    Rafique, Rashid; Xia, Jianyang; Hararuk, Oleksandra; Leng, Guoyong; Asrar, Ghassem; Luo, Yiqi

    2016-04-01

    Land models are valuable tools to understand the dynamics of global carbon (C) cycle. Various models have been developed and used for predictions of future C dynamics but uncertainties still exist. Diagnosing the models’ behaviors in terms of structures can help to narrow down the uncertainties in prediction of C dynamics. In this study three widely used land surface models, namely CSIRO’s Atmosphere Biosphere Land Exchange (CABLE) with 9 C pools, Community Land Model (version 3.5) combined with Carnegie-Ames-Stanford Approach (CLM-CASA) with 12 C pools and Community Land Model (version 4) (CLM4) with 26 C pools were driven by the observed meteorological forcing. The simulated C storage and residence time were used for analysis. The C storage and residence time were computed globally for all individual soil and plant pools, as well as net primary productivity (NPP) and its allocation to different plant components’ based on these models. Remotely sensed NPP and statistically derived HWSD, and GLC2000 datasets were used as a reference to evaluate the performance of these models. Results showed that CABLE exhibited better agreement with referenced C storage and residence time for plant and soil pools, as compared with CLM-CASA and CLM4. CABLE had longer bulk residence time for soil C pools and stored more C in roots, whereas, CLM-CASA and CLM4 stored more C in woody pools due to differential NPP allocation. Overall, these results indicate that the differences in C storage and residence times in three models are largely due to the differences in their fundamental structures (number of C pools), NPP allocation and C transfer rates. Our results have implications in model development and provide a general framework to explain the bias/uncertainties in simulation of C storage and residence times from the perspectives of model structures.

  12. Characterization of localized transverse structures in wide-aperture lasers

    NASA Astrophysics Data System (ADS)

    Rosanov, N. N.; Fedorov, A. V.; Fedorov, S. V.; Khodova, G. V.

    The problem of characterization of spatio-temporal patterns is discussed for the case of wide-aperture lasers with nonlinear losses where variety of such patterns is especially rich. Laser autosolitons (LASs)-localized transverse structures representing “islands of lasing” on a background of the nonlasing mode on the laser aperture-are studied. Existence of stable single LASs which are motionless or moving in the transverse direction with constant linear velocity is shown. Described are also LASs with regular wavefronts, those with screw dislocations (defects) of wavefronts with different topological indices, and those with axially symmetric and asymmetric intensity distributions rotating with constant angular velocity around the LAS center. An approach is given for qualitative and quantitative characterization of a single LAS by its linear and angular velocities and frequency shift, based on a combination of analytical methods and computer simulations. Results of investigations of weak and strong interactions among the LASs are presented.

  13. Characterization of cuttlebone for a biomimetic design of cellular structures

    NASA Astrophysics Data System (ADS)

    Cadman, Joseph; Zhou, Shiwei; Chen, Yuhang; Li, Wei; Appleyard, Richard; Li, Qing

    2010-03-01

    Cuttlebone is a natural material possessing the multifunctional properties of high porosity, high flexural stiffness and compressive strength, making it a fine example of design optimization of cellular structures created by nature. Examination of cuttlebone using scanning electron microscopy (SEM) reveals an approximately periodic microstructure, appropriate for computational characterization using direct homogenization techniques. In this paper, volume fractions and stiffness tensors were determined based on two different unit cell models that were extracted from two different cuttlefish samples. These characterized results were then used as the target values in an inverse homogenization procedure aiming to re-generate microstructures with the same properties as cuttlebone. Unit cells with similar topologies to the original cuttlebone unit cells were achieved, attaining the same volume fraction (i.e. bulk density) and the same (or very close) stiffness tensor. In addition, a range of alternate unit cell topologies were achieved also attaining the target properties, revealing the non-unique nature of this inverse homogenization problem.

  14. 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.

  15. 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.

  16. 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

  17. Biophysical characterization of recombinant proteins: A key to higher structural genomics success

    PubMed Central

    Vedadi, Masoud; Arrowsmith, Cheryl H.; Allali-Hassani, Abdellah; Senisterra, Guillermo; Wasney, Gregory A.

    2010-01-01

    Hundreds of genomes have been successfully sequenced to date, and the data are publicly available. At the same time, the advances in large-scale expression and purification of recombinant proteins have paved the way for structural genomics efforts. Frequently, however, little is known about newly expressed proteins calling for large-scale protein characterization to better understand their biochemical roles and to enable structure–function relationship studies. In the Structural Genomics Consortium (SGC), we have established a platform to characterize large numbers of purified proteins. This includes screening for ligands, enzyme assays, peptide arrays and peptide displacement in a 384-well format. In this review, we describe this platform in more detail and report on how our approach significantly increases the success rate for structure determination. Coupled with high-resolution X-ray crystallography and structure-guided methods, this platform can also be used toward the development of chemical probes through screening families of proteins against a variety of chemical series and focused chemical libraries. PMID:20466062

  18. 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

  19. 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.

  20. Structural characterization of plant-derived hepatitis B surface antigen employed in oral immunization studies.

    PubMed

    Smith, Mark L; Richter, Lizabeth; Arntzen, Charles J; Shuler, Michael L; Mason, Hugh S

    2003-09-08

    Several subunit vaccine antigens have been successfully expressed in plants and recently the hepatitis B surface antigen (HBsAg), expressed in potatoes, was shown to be orally immunogenic in animal studies. However, to date, a detailed analysis of the plant-derived antigen is lacking. Herein, we comprehensively characterize the structure and post-translational processing of HBsAg from potato tuber and two plant cell suspension cultures. The HBsAg was found to accumulate intracellularly as tubular structures, with a complex size distribution, differing substantially from the virus-like particle (VLP) preparations of the current commercial vaccines. Extensive disulfide-bond cross-linking, which is important for immunogenicity, was evident and 21-37% of total HBsAg protein displayed epitopes which correlate with vaccine potency. The significance of these results with regard to the production of cost-effective orally delivered vaccines is discussed.