Palytoxins and cytoskeleton: An overview.

PubMed

Louzao, M Carmen; Ares, Isabel R; Cagide, Eva; Espiña, Begoña; Vilariño, Natalia; Alfonso, Amparo; Vieytes, Mercedes R; Botana, Luis M

2011-03-01

Cytoskeleton is a dynamic structure essential for a wide variety of normal cellular processes, including the maintenance of cell shape and morphology, volume regulation, membrane dynamics and signal transduction. Cytoskeleton is organized into microtubules, actin meshwork and intermediate filaments. Actin has been identified as a major target for destruction during apoptosis and is also important under pathological conditions such as cancers. Several natural compounds actively modulate actin organization by specific signaling cascades being useful tools to study cytoskeleton dynamics. Palytoxin is a large bioactive compound, first isolated from zoanthids, with a complex structure and different analogs such as ostreocin-D or ovatoxin-a. This toxin has been identified as a potent tumor promoter and cytotoxic molecule, which leads to actin filament distortion and triggers cell death or apoptosis. In this review we report the findings on the involvement of palytoxin and analogues modulating the actin cytoskeleton within different cellular models. Copyright © 2010 Elsevier Ltd. All rights reserved.

Two-photon absorption by spectrally shaped entangled photons

NASA Astrophysics Data System (ADS)

Oka, Hisaki

2018-03-01

We theoretically investigate two-photon excitation by spectrally shaped entangled photons with energy anticorrelation in terms of how the real excitation of an intermediate state affects two-photon absorption by entangled photons. Spectral holes are introduced in the entangled photons around the energy levels of an intermediate state so that two-step excitation via the real excitation of the intermediated state can be suppressed. Using a three-level atomic system as an example, we show that the spectral holes well suppress the real excitation of the intermediate state and recover two-photon absorption via a virtual state. Furthermore, for a short pulse close to a monocycle, we show that the excitation efficiency by the spectrally shaped entangled photons can be enhanced a thousand times as large as that by uncorrelated photons.

Majorana spin liquids, topology, and superconductivity in ladders

NASA Astrophysics Data System (ADS)

Le Hur, Karyn; Soret, Ariane; Yang, Fan

2017-11-01

We theoretically address spin chain analogs of the Kitaev quantum spin model on the honeycomb lattice. The emergent quantum spin-liquid phases or Anderson resonating valence-bond (RVB) states can be understood, as an effective model, in terms of p -wave superconductivity and Majorana fermions. We derive a generalized phase diagram for the two-leg ladder system with tunable interaction strengths between chains allowing us to vary the shape of the lattice (from square to honeycomb ribbon or brickwall ladder). We evaluate the winding number associated with possible emergent (topological) gapless modes at the edges. In the Az phase, as a result of the emergent Z2 gauge fields and π -flux ground state, one may build spin-1/2 (loop) qubit operators by analogy to the toric code. In addition, we show how the intermediate gapless B phase evolves in the generalized ladder model. For the brick-wall ladder, the B phase is reduced to one line, which is analyzed through perturbation theory in a rung tensor product states representation and bosonization. Finally, we show that doping with a few holes can result in the formation of hole pairs and leads to a mapping with the Su-Schrieffer-Heeger model in polyacetylene; a superconducting-insulating quantum phase transition for these hole pairs is accessible, as well as related topological properties.

Analog pulse processor

DOEpatents

Wessendorf, Kurt O.; Kemper, Dale A.

2003-06-03

A very low power analog pulse processing system implemented as an ASIC useful for processing signals from radiation detectors, among other things. The system incorporates the functions of a charge sensitive amplifier, a shaping amplifier, a peak sample and hold circuit, and, optionally, an analog to digital converter and associated drivers.

Immune Function Changes during a Spaceflight-Analog Undersea Mission

NASA Technical Reports Server (NTRS)

Crucian, Brian; Stowe, Raymond; Mehta, Satish; Quiniarte, Heather; Yetman, Deborah; Pierson, Duane; Sams, Clarence

2008-01-01

There is ample evidence to suggest that space flight leads to immune system dysregulation. This may be a result of microgravity, confinement, physiological stress, radiation, environment or other mission-associated factors. It is attractive to utilize ground-based spaceflight analogs as appropriate to investigate this phenomenon. For spaceflight-associated immune dysregulation (SAID), the authors believe the most appropriate analogs might be NEEMO (short duration, Shuttle analog), Antarctic winter-over (long-duration, ISS analog) and the Haughton Mars Project in the Canadian Arctic (intermediate-duration). Each of these analogs replicate isolation, mission-associated stress, disrupted circadian rhythms, and other aspects of flight thought to contribute to SAID. To validate NEEMO as a flight analog with respect to SAID, a pilot study was conducted during the NEEMO-12 and 13 missions during 2007. Assays were performed that assessed immune status, physiological stress and latent viral reactivation. Blood and saliva samples were collected at pre-, mid-, and post-mission timepoints.

Molecular moment similarity between several nucleoside analogs of thymidine and thymidine. sil@watson.ibm.com.

PubMed

Silverman, B D; Pitman, M C; Platt, D E

1999-06-01

Molecular moment descriptors of the shape and charge distributions of twenty five nucleoside structures have been examined. The structures include thymidine as well as the difluorotoluene nucleoside analog which has been found to pair efficiently with adenine by polymerase catalysis. The remaining twenty three structures have been chosen to be as structurally similar to thymidine and to the difluorotoluene nucleoside analog as possible. The moment descriptors which include a description of the relationship of molecular charge to shape show the difluorotoluene nucleoside to be one of the most proximate molecules to thymidine in the space of the molecular moments. The calculations, therefore, suggest that polymerase specificity might be not only a consequence of molecular steric features alone but also of the molecular electrostatic environment and its registration with molecular shape.

L2 Irregular Verb Morphology: Exploring Behavioral Data from Intermediate English Learners of German as a Foreign Language Using Generalized Mixed Effects Models

ERIC Educational Resources Information Center

Wagner, Thomas

2017-01-01

This paper examines possible psycholinguistic mechanisms governing stem vowel changes of irregular verbs in intermediate English learners of German as a foreign language (GFL). In Experiment 1, nonce-infinitives embedded in an authentic fictional text had to be inflected for German preterite, thus testing possible analogy-driven pattern…

Markus Alahuhta | NREL

Science.gov Websites

) "Atomic resolution crystallography of a complex of triosephosphate isomerase with a reaction -intermediate analog: New insight in the proton transfer reaction mechanism," Proteins (2010) View all NREL

Synthesis of Novel 1,4- Dihydropyridine Derivatives Bearing Biphenyl-2'-Tetrazole Substitution as Potential Dual Angiotensin II Receptors and Calcium Channel Blockers

PubMed Central

Shahbazi Mojarrad, Javid; Zamani, Zahra; Nazemiyeh, Hossein; Ghasemi, Saeed; Asgari, Davoud

2011-01-01

Introduction: We report the synthesis of novel 1,4-dihydropyridine derivatives containing biphenyl-2'-tetrazole moieties. We hypothesized that merging the key structural elements present in an AT1 receptor antagonist with key structural elements in 1,4-dihydropyridine calcium channel blockers would yield novel analogs with potential dual activity for both receptors. This strategy led to the design and synthesis of dialkyl 1,4-dihydro-2,6-dimethyl-4-[2-n-alkyl-1-[2΄-(1H-tetrazole-5-yl) biphenyl -4-yl] methyl] imidazole-4(or 5)-yl]- 3, 5-pyridinedicarboxylate analogs. Methods: These compounds were obtained by two methods starting from biphenyltetrazolyl-4-(or 5)-imidazolecarboxaldehyde intermediates employing in classical Hantzsch condensation reaction. In the first method, triphenylmethyl protecting group of 4- or 5-carboxaldehyde intermediate was first removed in acidic media and then classical Hantzsch reaction was employed in order to obtain the final products. In the second method, without further deprotection process, protected 4- or 5-carboxaldehyde intermediate directly was used in Hantzsch reaction. Results: The second method was more efficient than the first method since the deprotection and ring closure reaction occurs simultaneously in one pot. Conclusion: Eight novel dihydropridines analogs were synthesized using classic Hantzsch condensation reaction. Chemical structures of the compounds were characterized by 1H NMR, infrared and mass spectroscopy. PMID:24312750

Acyl silicates and acyl aluminates as activated intermediates in peptide formation on clays

NASA Technical Reports Server (NTRS)

White, D. H.; Kennedy, R. M.; Macklin, J.

1984-01-01

Glycine reacts with heating on dried clays and other minerals to give peptides in much better yield than in the absence of mineral. This reaction was proposed to occur by way of an activated intermediate such as an acyl silicate or acyl aluminate analogous to acyl phosphates involved in several biochemical reactions including peptide bond synthesis. The proposed mechanism has been confirmed by trapping the intermediate, as well as by direct spectroscopic observation of a related intermediate. The reaction of amino acids on periodically dried mineral surfaces represents a widespead, geologically realistic setting for prebiotic peptide formation via in situ activation.

Uniform magnetic fields in density-functional theory

NASA Astrophysics Data System (ADS)

Tellgren, Erik I.; Laestadius, Andre; Helgaker, Trygve; Kvaal, Simen; Teale, Andrew M.

2018-01-01

We construct a density-functional formalism adapted to uniform external magnetic fields that is intermediate between conventional density functional theory and Current-Density Functional Theory (CDFT). In the intermediate theory, which we term linear vector potential-DFT (LDFT), the basic variables are the density, the canonical momentum, and the paramagnetic contribution to the magnetic moment. Both a constrained-search formulation and a convex formulation in terms of Legendre-Fenchel transformations are constructed. Many theoretical issues in CDFT find simplified analogs in LDFT. We prove results concerning N-representability, Hohenberg-Kohn-like mappings, existence of minimizers in the constrained-search expression, and a restricted analog to gauge invariance. The issue of additivity of the energy over non-interacting subsystems, which is qualitatively different in LDFT and CDFT, is also discussed.

Uniform magnetic fields in density-functional theory.

PubMed

Tellgren, Erik I; Laestadius, Andre; Helgaker, Trygve; Kvaal, Simen; Teale, Andrew M

2018-01-14

We construct a density-functional formalism adapted to uniform external magnetic fields that is intermediate between conventional density functional theory and Current-Density Functional Theory (CDFT). In the intermediate theory, which we term linear vector potential-DFT (LDFT), the basic variables are the density, the canonical momentum, and the paramagnetic contribution to the magnetic moment. Both a constrained-search formulation and a convex formulation in terms of Legendre-Fenchel transformations are constructed. Many theoretical issues in CDFT find simplified analogs in LDFT. We prove results concerning N-representability, Hohenberg-Kohn-like mappings, existence of minimizers in the constrained-search expression, and a restricted analog to gauge invariance. The issue of additivity of the energy over non-interacting subsystems, which is qualitatively different in LDFT and CDFT, is also discussed.

Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints.

PubMed

Awale, Mahendra; Jin, Xian; Reymond, Jean-Louis

2015-01-01

Tools to explore large compound databases in search for analogs of query molecules provide a strategically important support in drug discovery to help identify available analogs of any given reference or hit compound by ligand based virtual screening (LBVS). We recently showed that large databases can be formatted for very fast searching with various 2D-fingerprints using the city-block distance as similarity measure, in particular a 2D-atom pair fingerprint (APfp) and the related category extended atom pair fingerprint (Xfp) which efficiently encode molecular shape and pharmacophores, but do not perceive stereochemistry. Here we investigated related 3D-atom pair fingerprints to enable rapid stereoselective searches in the ZINC database (23.2 million 3D structures). Molecular fingerprints counting atom pairs at increasing through-space distance intervals were designed using either all atoms (16-bit 3DAPfp) or different atom categories (80-bit 3DXfp). These 3D-fingerprints retrieved molecular shape and pharmacophore analogs (defined by OpenEye ROCS scoring functions) of 110,000 compounds from the Cambridge Structural Database with equal or better accuracy than the 2D-fingerprints APfp and Xfp, and showed comparable performance in recovering actives from decoys in the DUD database. LBVS by 3DXfp or 3DAPfp similarity was stereoselective and gave very different analogs when starting from different diastereomers of the same chiral drug. Results were also different from LBVS with the parent 2D-fingerprints Xfp or APfp. 3D- and 2D-fingerprints also gave very different results in LBVS of folded molecules where through-space distances between atom pairs are much shorter than topological distances. 3DAPfp and 3DXfp are suitable for stereoselective searches for shape and pharmacophore analogs of query molecules in large databases. Web-browsers for searching ZINC by 3DAPfp and 3DXfp similarity are accessible at www.gdb.unibe.ch and should provide useful assistance to drug discovery projects. Graphical abstractAtom pair fingerprints based on through-space distances (3DAPfp) provide better shape encoding than atom pair fingerprints based on topological distances (APfp) as measured by the recovery of ROCS shape analogs by fp similarity.

Activity of the pterophyllins 2 and 4 against postharvest fruit pathogenic fungi. Comparison with a synthetic analog and related intermediates.

PubMed

Pergomet, Jorgelina L; Di Liberto, Melina G; Derita, Marcos G; Bracca, Andrea B J; Kaufman, Teodoro S

2018-03-01

The antifungal activity of pterophyllin 2, pterophyllin 4, a 5-desmethyl analog of the latter and some of their synthetic intermediates, against three postharvest phytopathogenic fungi, was evaluated. The target fungi were Rhizopus stolonifer, Botrytis cinerea and Monilinia fructicola, which affect fruits worldwide, causing important economic losses. The tests were carried out with imazalil and carbendazim as positive controls. Minimum inhibitory concentrations and minimum fungicidal concentrations were determined, and the morphology of the colonies was examined microscopically. In liquid medium, it was found that pterophyllin 4 exhibited selective fungicidal activity toward M. fructicola, whereas its congener pterophyllin 2 proved to be less potent and not selective and the 5-desmethyl analog of pterophyllin 4 displayed a different activity profile. Morphological changes were observed in the colonies exposed to pterophyllin 4. The results highlighted the importance of small structural features for the antifungal behavior and also suggested that, in Nature, the pterophyllins may act as plant defenses against pathogens. Copyright © 2018 Elsevier B.V. All rights reserved.

Hybrid Analog/Digital Receiver

NASA Technical Reports Server (NTRS)

Brown, D. H.; Hurd, W. J.

1989-01-01

Advanced hybrid analog/digital receiver processes intermediate-frequency (IF) signals carrying digital data in form of phase modulation. Uses IF sampling and digital phase-locked loops to track carrier and subcarrier signals and to synchronize data symbols. Consists of three modules: IF assembly, signal-processing assembly, and test-signal assembly. Intended for use in Deep Space Network, but presumably basic design modified for such terrestrial uses as communications or laboratory instrumentation where signals weak and/or noise strong.

Trapping of intermediates with substrate analog HBOCoA in the polymerizations catalyzed by class III polyhydroxybutyrate (PHB) synthase from Allochromatium vinosum.

PubMed

Chen, Chao; Cao, Ruikai; Shrestha, Ruben; Ward, Christina; Katz, Benjamin B; Fischer, Christopher J; Tomich, John M; Li, Ping

2015-05-15

Polyhydroxybutyrate (PHB) synthases (PhaCs) catalyze the formation of biodegradable PHB polymers that are considered as an ideal alternative to petroleum-based plastics. To provide strong evidence for the preferred mechanistic model involving covalent and noncovalent intermediates, a substrate analog HBOCoA was synthesized chemoenzymatically. Substitution of sulfur in the native substrate HBCoA with an oxygen in HBOCoA enabled detection of (HB)nOCoA (n = 2-6) intermediates when the polymerization was catalyzed by wild-type (wt-)PhaECAv at 5.84 h(-1). This extremely slow rate is due to thermodynamically unfavorable steps that involve the formation of enzyme-bound PHB species (thioesters) from corresponding CoA oxoesters. Synthesized standards (HB)nOCoA (n = 2-3) were found to undergo both reacylation and hydrolysis catalyzed by the synthase. Distribution of the hydrolysis products highlights the importance of the penultimate ester group as previously suggested. Importantly, the reaction between primed synthase [(3)H]-sT-PhaECAv and HBOCoA yielded [(3)H]-sTet-O-CoA at a rate constant faster than 17.4 s(-1), which represents the first example that a substrate analog undergoes PHB chain elongation at a rate close to that of the native substrate (65.0 s(-1)). Therefore, for the first time with a wt-synthase, strong evidence was obtained to support our favored PHB chain elongation model.

Toward a Nonlinear Acoustic Analogy: Turbulence as a Source of Sound and Nonlinear Propagation

NASA Technical Reports Server (NTRS)

Miller, Steven A. E.

2015-01-01

An acoustic analogy is proposed that directly includes nonlinear propagation effects. We examine the Lighthill acoustic analogy and replace the Green's function of the wave equation with numerical solutions of the generalized Burgers' equation. This is justified mathematically by using similar arguments that are the basis of the solution of the Lighthill acoustic analogy. This approach is superior to alternatives because propagation is accounted for directly from the source to the far-field observer instead of from an arbitrary intermediate point. Validation of a numerical solver for the generalized Burgers' equation is performed by comparing solutions with the Blackstock bridging function and measurement data. Most importantly, the mathematical relationship between the Navier- Stokes equations, the acoustic analogy that describes the source, and canonical nonlinear propagation equations is shown. Example predictions are presented for nonlinear propagation of jet mixing noise at the sideline angle

Toward a Nonlinear Acoustic Analogy: Turbulence as a Source of Sound and Nonlinear Propagation

NASA Technical Reports Server (NTRS)

Miller, Steven A. E.

2015-01-01

An acoustic analogy is proposed that directly includes nonlinear propagation effects. We examine the Lighthill acoustic analogy and replace the Green's function of the wave equation with numerical solutions of the generalized Burgers' equation. This is justified mathematically by using similar arguments that are the basis of the solution of the Lighthill acoustic analogy. This approach is superior to alternatives because propagation is accounted for directly from the source to the far-field observer instead of from an arbitrary intermediate point. Validation of a numerical solver for the generalized Burgers' equation is performed by comparing solutions with the Blackstock bridging function and measurement data. Most importantly, the mathematical relationship between the Navier-Stokes equations, the acoustic analogy that describes the source, and canonical nonlinear propagation equations is shown. Example predictions are presented for nonlinear propagation of jet mixing noise at the sideline angle.

Identifying the proton transfer reaction mechanism via a proton-bound dimeric intermediate for esomeprazoles by a kinetic method combined with density functional theory calculations.

PubMed

Cao, Xiaoji; Zhang, Feifei; Zhu, Kundan; Ye, Xuemin; Shen, Lingxiao; Chen, Jiaoyu; Mo, Weimin

2014-05-15

Esomeprazole analogs are a class of important proton pump inhibitors for the treatment of gastro-esophageal reflux diseases. Understanding the fragmentation reaction mechanism of the protonated esomeprazole analogs will facilitate the characterization of their complex metabolic fate in humans. In this paper, the kinetic method and theoretical calculations were applied to evaluate the fragmentation of protonated esomeprazole analogs. All collision-induced dissociation (CID) mass spectrometry experiments were carried out using electrospray ionization (ESI) ion trap mass spectrometry in positive ion mode. Also the accurate masses of fragments were measured on by ESI quadrupole time-of-flight (QTOF) MS in positive ion mode. Theoretical calculations were carried out by the density functional theory (DFT) method with the 6-31G(d) basis set in the Gaussian 03 program. In the fragmentation of the protonated esomeprazole analogs, C-S bond breakage is observed, which gives rise to protonated 2-(sulfinylmethylene)pyridines and protonated benzimidazoles. DFT calculations demonstrate that the nitrogen atom of the pyridine part is the thermodynamically most favorable protonation site, and the C-S bond cleavage is triggered by the transfer of this ionizing proton from the nitrogen atom of the pyridine part to the carbon atom of the benzimidazole part to which the sulfinyl is attached. Moreover, with the kinetic plot, the intensity ratios of two protonated product ions yield a linear relationship with the differences in proton affinities of the corresponding neutral molecules, which provides strong experimental evidence that the reaction proceeds via proton-bound 2-(sulfinylmethylene)pyridine/benzimidazole complex intermediates. The kinetic method combined with theoretical calculations was successfully applied to probe the proton transfer reaction by proton-bound 2-(sulfinylmethylene)pyridine/benzimidazole complexes in the fragmentation of protonated esomeprazole analogs by ESI CID MS, which is a strong evidence that the kinetic method can be applied in identifying a proton-bound dimeric intermediate in the fragmentation of protonated ions. Copyright © 2014 John Wiley & Sons, Ltd.

Versatile analog pulse height computer performs real-time arithmetic operations

NASA Technical Reports Server (NTRS)

Brenner, R.; Strauss, M. G.

1967-01-01

Multipurpose analog pulse height computer performs real-time arithmetic operations on relatively fast pulses. This computer can be used for identification of charged particles, pulse shape discrimination, division of signals from position sensitive detectors, and other on-line data reduction techniques.

Shape transformation of viral capsids and HIV

NASA Astrophysics Data System (ADS)

Nguyen, Toan

2005-03-01

We present a continuum description of the shape transformation of viral capsids. The cone-like HIV virus is shown to be an thermodynamic stable shape, intermediate between icosahedral and sphero-cylinder capsid shapes. A generalized Caspar-Klug classification is introduced to describe spherical, conical and cylinderical shapes of virus.

Trait-fitness relationships determine how trade-off shapes affect species coexistence.

PubMed

Ehrlich, Elias; Becks, Lutz; Gaedke, Ursula

2017-12-01

Trade-offs between functional traits are ubiquitous in nature and can promote species coexistence depending on their shape. Classic theory predicts that convex trade-offs facilitate coexistence of specialized species with extreme trait values (extreme species) while concave trade-offs promote species with intermediate trait values (intermediate species). We show here that this prediction becomes insufficient when the traits translate non-linearly into fitness which frequently occurs in nature, e.g., an increasing length of spines reduces grazing losses only up to a certain threshold resulting in a saturating or sigmoid trait-fitness function. We present a novel, general approach to evaluate the effect of different trade-off shapes on species coexistence. We compare the trade-off curve to the invasion boundary of an intermediate species invading the two extreme species. At this boundary, the invasion fitness is zero. Thus, it separates trait combinations where invasion is or is not possible. The invasion boundary is calculated based on measurable trait-fitness relationships. If at least one of these relationships is not linear, the invasion boundary becomes non-linear, implying that convex and concave trade-offs not necessarily lead to different coexistence patterns. Therefore, we suggest a new ecological classification of trade-offs into extreme-favoring and intermediate-favoring which differs from a purely mathematical description of their shape. We apply our approach to a well-established model of an empirical predator-prey system with competing prey types facing a trade-off between edibility and half-saturation constant for nutrient uptake. We show that the survival of the intermediate prey depends on the convexity of the trade-off. Overall, our approach provides a general tool to make a priori predictions on the outcome of competition among species facing a common trade-off in dependence of the shape of the trade-off and the shape of the trait-fitness relationships. © 2017 by the Ecological Society of America.

Intermediate-coupling theory of the spin polaron in the {ital t}-{ital J} model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barentzen, H.

1996-03-01

The spin polaron in the {ital t-J} model, i.e., a hole dressed by a cloud of virtual magnons of the antiferromagnetic spin background, is treated within the framework of intermediate-coupling theory. The original {ital t}-{ital J} model is first reformulated in terms of spinless fermions and bosons by means of the generalized Dyson-Maleev representation (DMR). The latter may be regarded as the natural extension of the ordinary DMR of pure (undoped) spin systems to the case where holes are present, and is similar to the one originally proposed by Schmitt-Rink, Varma, and Ruckenstein. The reformulated {ital t}-{ital J} model, whichmore » is reminiscent of the Fr{umlt o}hlich Hamiltonian, is then subjected to a series of unitary transformations, analogous to those employed by Lee, Low, and Pines in their treatment of the Fr{umlt o}hlich polaron. Our approach yields an approximate quasiparticle energy {ital E}({ital k}{bold )} as well as the corresponding eigenvector. To explore the range of validity of our theory, the analytic expressions are then further analyzed for intermediate ({ital J}/{ital t}=0.4) and strong ({ital J}/{ital t}=0.08) coupling, where special attention is paid to the quasiparticle bandwidth {ital W}. The intermediate-coupling result for {ital E}({ital k}{bold )} is in excellent agreement with the dispersion curve recently obtained by Dagotto and co-workers by means of a Green function Monte Carlo method. Even in the strong-coupling range the bandshape remains qualitatively correct. The bandwidth {ital W} is rather accurate for weak coupling ({ital J}/{ital t}{approx_gt}3), and still reasonable in the intermediate range 0.4{approx_lt}{ital J}/{ital t}{le}3, where it deviates from the correct values by some 10-20%. Our theory fails, however, to describe the proper behavior of {ital W} in the strong-coupling regime. This shows that the limitations of our approach manifest themselves in the bandwidths rather than in the shapes of the dispersion curves.« less

An Experimental Approach to Understanding the Optical Effects of Space Weathering

NASA Technical Reports Server (NTRS)

Noble, Sarah K.; Keller, Lindsay P.; Pieters, Carle M.

2007-01-01

The creation and accumulation of nanophase iron (npFe(sup 0)) is the primary mechanism by which spectra of materials exposed to the space environment incur systematic changes referred to as "space weathering." The optical effects of this npFe(sup 0) on lunar soils are well documented. Space weathering though, should occur on the surface of any planetary body that is not protected by an atmosphere. There is no reason to assume that cumulative space weathering products throughout the solar system will be the same as those found in lunar soils. In fact, these products are likely to be very dependent on the specific environmental conditions under which they were produced. We have prepared a suite of analog soils to explore the optical effects of npFe(sup 0). By varying the size and concentration of npFe(sup 0) in the analogs we found significant systematic changes in the Vis/NIR spectral properties of the materials. Smaller npFe(sup 0) (<10 nm in diameter) dramatically reddens spectra in the visible wavelengths while leaving the infrared region largely unaffected. Larger npFe(sup 0) (>40 nm in diameter) lowers the albedo across the Vis/NIR range with little change in the overall shape of the continuum. Intermediate npFe(sup 0) sizes impact the spectra in a distinct pattern that changes with concentration. The products of these controlled experiments have implications for space-weathered material throughout the inner solar system. Our results indicate that the lunar soil continuum is best modeled by npFe(sup 0) particles with bulk properties in the approx.15-25 nm size range. Larger npFe0 grains result in spectra that are similar in shape to the Mercury continuum. The continuum of S-type asteroid spectra appear to be best represented by small amounts of npFe(sup 0) that is similar to, but slightly smaller on average, than the npFe(sup 0) in lunar soils (approx.10-15 nm).

Human Preferences for Conformation Attributes and Head-And-Neck Positions in Horses

PubMed Central

2015-01-01

Human preferences for certain morphological attributes among domestic animals may be entirely individual or, more generally, may reflect evolutionary pressures that favor certain conformation. Artificial selection for attributes, such as short heads and crested necks of horses, may have functional and welfare implications because there is evidence from other species that skull shape co-varies with behaviour. Crested necks can be accentuated by flexion of the neck, a quality that is often manipulated in photographs vendors use when selling horses. Equine head-and-neck positions acquired through rein tension can compromise welfare. Our investigation was designed to identify conformations and postures that people are attracted to when choosing their ‘ideal’ horse. Participants of an internet survey were asked to rate their preference for horse silhouettes that illustrated three gradations of five variables: facial shape, crest height, ear length, ear position and head-and-neck carriage. There were 1,234 usable responses. The results show that overall preferences are for the intermediate, rather than extreme, morphological choices (p=<0.001). They also indicate that males are 2.5 times less likely to prefer thicker necks rather than the intermediate shape, and 4 times more likely to prefer the thinner neck shape. When compared to the novice participants, experienced participants were 1.9 times more likely to prefer a thicker neck shape than the intermediate neck shape and 2.8 times less likely to prefer a thinner neck shape than the intermediate neck shape. There was overall preference of 93% (n=939) for the category of head carriage ‘In front of the vertical’. However, novice participants were 1.8 times more likely to choose ‘behind the vertical’ than ‘in front of the vertical’. Our results suggest that people prefer a natural head carriage, concave facial profile (dished face), larger ears and thicker necks. From these survey data, it seems that some innate preferences may run counter to horse health and welfare. PMID:26126209

Externally-Modulated Electro-Optically Coupled Detector Architecture for Nuclear Physics Instrumentation

NASA Astrophysics Data System (ADS)

Xi, Wenze; McKisson, J. E.; Weisenberger, Andrew G.; Zhang, Shukui; Zorn, Carl

2014-06-01

A new laser-based externally-modulated electro-optically coupled detector (EOCD) architecture is being developed to enable high-density readout for radiation detectors with accurate analog radiation pulse shape and timing preservation. Unlike digital conversion before electro-optical modulation, the EOCD implements complete analog optical signal modulation and multiplexing in its detector front-end. The result is a compact, high performance detector readout that can be both radiation tolerant and immune to magnetic fields. In this work, the feasibility of EOCD was explored by constructing a two-wavelength laser-based externally-modulated EOCD, and testing analog pulse shape preservation and wavelength-division multiplexing (WDM) crosstalk. Comparisons were first made between the corresponding initial pulses and the electro-optically coupled analog pulses. This confirmed an excellent analog pulse preservation over 29% of the modulator's switching voltage range. Optical spectrum analysis revealed less than -14 dB crosstalk with 1.2 nm WDM wavelength bandgap, and provided insight on experimental conditions that could lead to increased inter-wavelength crosstalk. Further discussions and previous research on the radiation tolerance and magnetic field immunity of the candidate materials were also given, and quantitative device testing is proposed in the future.

Peroxo and Oxo Intermediates in Mononuclear Non-heme Iron Enzymes and Related Active Sites

PubMed Central

Wong, Shaun D.; Liu, Lei V.; Decker, Andrea; Chow, Marina S.

2009-01-01

Summary FeIII–OOH and FeIV=O intermediates have now been documented in a number of non-heme iron active sites. In this Opinion we use spectroscopy combined with electronic structure calculations to define the frontier molecular orbitals (FMOs) of these species and their contributions to reactivity. For the low-spin FeIII–OOH species in activated bleomycin we show that the reactivity of this non-heme iron intermediate is very different from that of the analogous Compound 0 of cytochrome P450. For FeIV=O S = 1 model species we experimentally define the electronic structure and its contribution to reactivity, and computationally evaluate how this would change for the FeIV=O S = 2 intermediates found in non-heme iron enzymes. PMID:19278895

Exploring Granular Flows at Intermediate Velocities

NASA Astrophysics Data System (ADS)

Brodsky, E. E.; van der Elst, N.

2012-12-01

Geophysical and geomorphological flows often encompass a wide range of strain rates. Landslides accelerate from nearly static conditions to velocities in the range of meters/seconds. The rheology of granular flows for the end-members is moderately well-understood, but the constitutive low at intermediate velocities is largely unexplored. Here we present evidence that granular flows transition through a regime in which internally generated acoustic waves play a critical role in controlling rheology. In laboratory experiments on natural sand under shear in a commercial rheometer, we observe that the steady-state flows at intermediate velocities are compacted relative to the end members. In a confined volume, this compaction results in a decrease in stress on the boundaries. We establish the key role of the acoustic waves by measuring the noise generated by the shear flows with an accelerometer and then exciting the flow with similar amplitude noise under lower shear rate conditions. The observed compaction for a given amplitude noise is the same in both cases, regardless of whether the noise is generated internally by the grains colliding or artificially applied externally. The boundaries of this acoustically controlled regime can be successfully predicted through non-dimensional analysis balancing the overburden, acoustic pressure and granular inertial terms. In our laboratory experiments, this regime corresponds to 0.1 to 10 cm/s. The controlling role of acoustic waves in intermediate velocities is significant because: (1) Geological systems must pass through this regime on their route to instability. (2) Acoustic waves are much more efficiently generated by angular particles, likely to be found in natural samples, than by perfectly spherical particles, which are more tractable for laboratory and theoretical studies. Therefore, this regime is likely to be missed in many analog and computational approaches. (3) Different mineralogies and shapes result in different noise generation. Therefore, there is a potential to extrapolate and predict rheological behavior of an active flow through studies of the recoverable granular products.Steady-state thickness vs. shear rate for angular sand and glass beads. Individual curves represent multiple up-going and down-going velocity ramps, and thick error bars show means and standard deviations between runs. Thickness is independent of shear rate at low shear rates, and strongly dependent on shear rate for intermediate and high shear rates. Compaction is observed at intermediate shear rates for angular sand, but not for smooth glass beads.

True and masked three-coordinate T-shaped platinum(II) intermediates.

PubMed

Ortuño, Manuel A; Conejero, Salvador; Lledós, Agustí

2013-01-01

Although four-coordinate square-planar geometries, with a formally 16-electron counting, are absolutely dominant in isolated Pt(II) complexes, three-coordinate, 14-electron Pt(II) complexes are believed to be key intermediates in a number of platinum-mediated organometallic transformations. Although very few authenticated three-coordinate Pt(II) complexes have been characterized, a much larger number of complexes can be described as operationally three-coordinate in a kinetic sense. In these compounds, which we have called masked T-shaped complexes, the fourth position is occupied by a very weak ligand (agostic bond, solvent molecule or counteranion), which can be easily displaced. This review summarizes the structural features of the true and masked T-shaped Pt(II) complexes reported so far and describes synthetic strategies employed for their formation. Moreover, recent experimental and theoretical reports are analyzed, which suggest the involvement of such intermediates in reaction mechanisms, particularly C-H bond-activation processes.

Quantitative CT analysis for the preoperative prediction of pathologic grade in pancreatic neuroendocrine tumors

NASA Astrophysics Data System (ADS)

Chakraborty, Jayasree; Pulvirenti, Alessandra; Yamashita, Rikiya; Midya, Abhishek; Gönen, Mithat; Klimstra, David S.; Reidy, Diane L.; Allen, Peter J.; Do, Richard K. G.; Simpson, Amber L.

2018-02-01

Pancreatic neuroendocrine tumors (PanNETs) account for approximately 5% of all pancreatic tumors, affecting one individual per million each year.1 PanNETs are difficult to treat due to biological variability from benign to highly malignant, indolent to very aggressive. The World Health Organization classifies PanNETs into three categories based on cell proliferative rate, usually detected using the Ki67 index and cell morphology: low-grade (G1), intermediate-grade (G2) and high-grade (G3) tumors. Knowledge of grade prior to treatment would select patients for optimal therapy: G1/G2 tumors respond well to somatostatin analogs and targeted or cytotoxic drugs whereas G3 tumors would be targeted with platinum or alkylating agents.2, 3 Grade assessment is based on the pathologic examination of the surgical specimen, biopsy or ne-needle aspiration; however, heterogeneity in the proliferative index can lead to sampling errors.4 Based on studies relating qualitatively assessed shape and enhancement characteristics on CT imaging to tumor grade in PanNET,5 we propose objective classification of PanNET grade with quantitative analysis of CT images. Fifty-five patients were included in our retrospective analysis. A pathologist graded the tumors. Texture and shape-based features were extracted from CT. Random forest and naive Bayes classifiers were compared for the classification of G1/G2 and G3 PanNETs. The best area under the receiver operating characteristic curve (AUC) of 0:74 and accuracy of 71:64% was achieved with texture features. The shape-based features achieved an AUC of 0:70 and accuracy of 78:73%.

Experimental observation of the asymmetric instability of intermediate-reduced-volume vesicles in extensional flow.

PubMed

Dahl, Joanna B; Narsimhan, Vivek; Gouveia, Bernardo; Kumar, Sanjay; Shaqfeh, Eric S G; Muller, Susan J

2016-04-20

Vesicles provide an attractive model system to understand the deformation of living cells in response to mechanical forces. These simple, enclosed lipid bilayer membranes are suitable for complementary theoretical, numerical, and experimental analysis. A recent study [Narsimhan, Spann, Shaqfeh, J. Fluid Mech., 2014, 750, 144] predicted that intermediate-aspect-ratio vesicles extend asymmetrically in extensional flow. Upon infinitesimal perturbation to the vesicle shape, the vesicle stretches into an asymmetric dumbbell with a cylindrical thread separating the two ends. While the symmetric stretching of high-aspect-ratio vesicles in extensional flow has been observed and characterized [Kantsler, Segre, Steinberg, Phys. Rev. Lett., 2008, 101, 048101] as well as recapitulated in numerical simulations by Narsimhan et al., experimental observation of the asymmetric stretching has not been reported. In this work, we present results from microfluidic cross-slot experiments observing this instability, along with careful characterization of the flow field, vesicle shape, and vesicle bending modulus. The onset of this shape transition depends on two non-dimensional parameters: reduced volume (a measure of vesicle asphericity) and capillary number (ratio of viscous to bending forces). We observed that every intermediate-reduced-volume vesicle that extends forms a dumbbell shape that is indeed asymmetric. For the subset of the intermediate-reduced-volume regime we could capture experimentally, we present an experimental phase diagram for asymmetric vesicle stretching that is consistent with the predictions of Narsimhan et al.

Digital Baseband Architecture For Transponder

NASA Technical Reports Server (NTRS)

Nguyen, Tien M.; Yeh, Hen-Geul

1995-01-01

Proposed advanced transponder for long-distance radio communication system with turnaround ranging contains carrier-signal-tracking loop including baseband digital "front end." For reduced cost, transponder includes analog intermediate-frequency (IF) section and analog automatic gain control (AGC) loop at first of two IF mixers. However, second IF mixer redesigned to ease digitization of baseband functions. To conserve power and provide for simpler and smaller transponder hardware, baseband digital signal-processing circuits designed to implement undersampling scheme. Furthermore, sampling scheme and sampling frequency chosen so redesign involves minimum modification of command-detector unit (CDU).

Optimization of L-shaped tunneling field-effect transistor for ambipolar current suppression and Analog/RF performance enhancement

NASA Astrophysics Data System (ADS)

Li, Cong; Zhao, Xiaolong; Zhuang, Yiqi; Yan, Zhirui; Guo, Jiaming; Han, Ru

2018-03-01

L-shaped tunneling field-effect transistor (LTFET) has larger tunnel area than planar TFET, which leads to enhanced on-current ION . However, LTFET suffers from severe ambipolar behavior, which needs to be further optimized for low power and high-frequency applications. In this paper, both hetero-gate-dielectric (HGD) and lightly doped drain (LDD) structures are introduced into LTFET for suppression of ambipolarity and improvement of analog/RF performance of LTFET. Current-voltage characteristics, the variation of energy band diagrams, distribution of band-to-band tunneling (BTBT) generation and distribution of electric field are analyzed for our proposed HGD-LDD-LTFET. In addition, the effect of LDD on the ambipolar behavior of LTFET is investigated, the length and doping concentration of LDD is also optimized for better suppression of ambipolar current. Finally, analog/RF performance of HGD-LDD-LTFET are studied in terms of gate-source capacitance, gate-drain capacitance, cut-off frequency, and gain bandwidth production. TCAD simulation results show that HGD-LDD-LTFET not only drastically suppresses ambipolar current but also improves analog/RF performance compared with conventional LTFET.

A sub-1-volt analog metal oxide memristive-based synaptic device with large conductance change for energy-efficient spike-based computing systems

NASA Astrophysics Data System (ADS)

Hsieh, Cheng-Chih; Roy, Anupam; Chang, Yao-Feng; Shahrjerdi, Davood; Banerjee, Sanjay K.

2016-11-01

Nanoscale metal oxide memristors have potential in the development of brain-inspired computing systems that are scalable and efficient. In such systems, memristors represent the native electronic analogues of the biological synapses. In this work, we show cerium oxide based bilayer memristors that are forming-free, low-voltage (˜|0.8 V|), energy-efficient (full on/off switching at ˜8 pJ with 20 ns pulses, intermediate states switching at ˜fJ), and reliable. Furthermore, pulse measurements reveal the analog nature of the memristive device; that is, it can directly be programmed to intermediate resistance states. Leveraging this finding, we demonstrate spike-timing-dependent plasticity, a spike-based Hebbian learning rule. In those experiments, the memristor exhibits a marked change in the normalized synaptic strength (>30 times), when the pre- and post-synaptic neural spikes overlap. This demonstration is an important step towards the physical construction of high density and high connectivity neural networks.

Neutron/ γ-ray digital pulse shape discrimination with organic scintillators

NASA Astrophysics Data System (ADS)

Kaschuck, Y.; Esposito, B.

2005-10-01

Neutrons and γ-rays produce light pulses with different shapes when interacting with organic scintillators. This property is commonly used to distinguish between neutrons (n) and γ-rays ( γ) in mixed n/ γ fields as those encountered in radiation physics experiments. Although analog electronic pulse shape discrimination (PSD) modules have been successfully used for many years, they do not allow data reprocessing and are limited in count rate capability (typically up to 200 kHz). The performance of a n/ γ digital pulse shape discrimination (DPSD) system by means of a commercial 12-bit 200 MSamples/s transient recorder card is investigated here. Three organic scintillators have been studied: stilbene, NE213 and anthracene. The charge comparison method has been used to obtain simultaneous n/ γ discrimination and pulse height analysis. The importance of DPSD for high-intensity radiation field measurements and its advantages with respect to analog PSD are discussed. Based on post-experiment simulations with acquired data, the requirements for fast digitizers to provide DPSD with organic scintillators are also analyzed.

Shaping Smoking Cessation in Hard-to-Treat Smokers

ERIC Educational Resources Information Center

Lamb, R. J.; Kirby, Kimberly C.; Morral, Andrew R.; Galbicka, Greg; Iguchi, Martin Y.

2010-01-01

Objective: Contingency management (CM) effectively treats addictions by providing abstinence incentives. However, CM fails for many who do not readily become abstinent and earn incentives. Shaping may improve outcomes in these hard-to-treat (HTT) individuals. Shaping sets intermediate criteria for incentive delivery between the present behavior…

Active dynamics of colloidal particles in time-varying laser speckle patterns

PubMed Central

Bianchi, Silvio; Pruner, Riccardo; Vizsnyiczai, Gaszton; Maggi, Claudio; Di Leonardo, Roberto

2016-01-01

Colloidal particles immersed in a dynamic speckle pattern experience an optical force that fluctuates both in space and time. The resulting dynamics presents many interesting analogies with a broad class of non-equilibrium systems like: active colloids, self propelled microorganisms, transport in dynamical intracellular environments. Here we show that the use of a spatial light modulator allows to generate light fields that fluctuate with controllable space and time correlations and a prescribed average intensity profile. In particular we generate ring-shaped random patterns that can confine a colloidal particle over a quasi one-dimensional random energy landscape. We find a mean square displacement that is diffusive at both short and long times, while a superdiffusive or subdiffusive behavior is observed at intermediate times depending on the value of the speckles correlation time. We propose two alternative models for the mean square displacement in the two limiting cases of a short or long speckles correlation time. A simple interpolation formula is shown to account for the full phenomenology observed in the mean square displacement across the entire range from fast to slow fluctuating speckles. PMID:27279540

Equilibrium, metastability, and hysteresis in a model spin-crossover material with nearest-neighbor antiferromagnetic-like and long-range ferromagnetic-like interactions

NASA Astrophysics Data System (ADS)

Rikvold, Per Arne; Brown, Gregory; Miyashita, Seiji; Omand, Conor; Nishino, Masamichi

2016-02-01

Phase diagrams and hysteresis loops were obtained by Monte Carlo simulations and a mean-field method for a simplified model of a spin-crossover material with a two-step transition between the high-spin and low-spin states. This model is a mapping onto a square-lattice S =1 /2 Ising model with antiferromagnetic nearest-neighbor and ferromagnetic Husimi-Temperley (equivalent-neighbor) long-range interactions. Phase diagrams obtained by the two methods for weak and strong long-range interactions are found to be similar. However, for intermediate-strength long-range interactions, the Monte Carlo simulations show that tricritical points decompose into pairs of critical end points and mean-field critical points surrounded by horn-shaped regions of metastability. Hysteresis loops along paths traversing the horn regions are strongly reminiscent of thermal two-step transition loops with hysteresis, recently observed experimentally in several spin-crossover materials. We believe analogous phenomena should be observable in experiments and simulations for many systems that exhibit competition between local antiferromagnetic-like interactions and long-range ferromagnetic-like interactions caused by elastic distortions.

Comparative Positron-Emission Tomography (PET) Imaging and Phototherapeutic Potential of 124I- Labeled Methyl- 3-(1′-iodobenzyloxyethyl) pyropheophorbide-a vs. the Corresponding Glucose- and Galactose-Conjugates

PubMed Central

Pandey, Suresh K.; Sajjad, Munawwar; Chen, Yihui; Zheng, Xiang; Yao, Rutao; Missert, Joseph R.; Batt, Carrie; Nabi, Hani A.; Oseroff, Allan R.; Pandey, Ravindra K.

2009-01-01

In our present study, 3-(1′-m-iodobenzyloxyethyl) pyropheophorbide-a methyl ester 1, 3-(1′-m-iodobenzyloxyethyl)-172-{(2-deoxy)glucose} pyropheophorbide-a 2, and 3-(1′-m-iodo benzyloxyethyl)-172-{(1-deoxy)galactose} pyropheophorbide-a 3 were synthesized and converted into the corresponding 124I- labeled analogs by reacting the intermediate trimethyltin analogs with Na124I. Photosensitizers 1–3 were evaluated for the PDT efficacy in C3H mice bearing RIF tumors at variable doses and showed a significant long-term tumor cure. Among the compounds investigated, the non-carbohydrate analog 1 was most effective. These results were in contrast to the in vitro data, where compared to the parent analog the corresponding galactose-and glucose derivatives showed enhanced cell kill. Among the corresponding 124I-labeled in analogs, excellent tumor images were obtained from compound 1 both tumor models (RIF and Colon-26) and the best tumor contrast was observed at 72 h post injection. Conjugating a glucose moiety to photosensitizer 1 diminished its tumor uptake, whereas with time the corresponding galactose analog showed improved tumor contrast. PMID:19090663

Intermediate-valence state of the Sm and Eu in SmB6 and EuCu2Si2: neutron spectroscopy data and analysis

NASA Astrophysics Data System (ADS)

Savchenkov, P. S.; Alekseev, P. A.; Podlesnyak, A.; Kolesnikov, A. I.; Nemkovski, K. S.

2018-02-01

Magnetic neutron scattering data for Sm (SmB6, Sm(Y)S) and Eu (EuCu2Si2-x Ge x ) intermediate-valence compounds have been analysed in terms of a generalized model of the intermediate-radius exciton. Special attention is paid to the correlation between the average ion’s valence and parameters of the low-energy excitation in the neutron spectra, such as the resonance mode, including its magnetic form factor. Along with specific features of the formation of the intermediate-valence state for Sm and Eu ions, common physical mechanisms have been revealed for systems based on these elements from the middle of the rare-earth series. A consistent description of the existing experimental data has been obtained by using the concept of a loosely bound hole for the Eu f-electron shell in the intermediate-valence state, in analogy with the previously established loosely bound electron model for the Sm ion.

Analogies between the torque-free motion of a rigid body about a fixed point and light propagation in anisotropic media

NASA Astrophysics Data System (ADS)

Bellver-Cebreros, Consuelo; Rodriguez-Danta, Marcelo

2009-03-01

An apparently unnoticed analogy between the torque-free motion of a rotating rigid body about a fixed point and the propagation of light in anisotropic media is stated. First, a new plane construction for visualizing this torque-free motion is proposed. This method uses an intrinsic representation alternative to angular momentum and independent of the modulus of angular velocity ω. The equivalence between this plane construction and the well-known Poinsot's three-dimensional graphical procedure is also shown. From this equivalence, analogies have been found between the general plane wave equation (relation of dispersion) in anisotropic media and basic equations of torque-free motion of a rigid body about a fixed point. These analogies allow reciprocal transfer of results between optics and mechanics and, as an example, reinterpretation of the internal conical refraction phenomenon in biaxial media is carried out. This paper is intended as an interdisciplinary application of analogies for students and teachers in the context of intermediate physics courses at university level.

Programmable Analog Memory Resistors For Electronic Neural Networks

NASA Technical Reports Server (NTRS)

Ramesham, Rajeshuni; Thakoor, Sarita; Daud, Taher; Thakoor, Anilkumar P.

1990-01-01

Electrical resistance of new solid-state device altered repeatedly by suitable control signals, yet remains at steady value when control signal removed. Resistance set at low value ("on" state), high value ("off" state), or at any convenient intermediate value and left there until new value desired. Circuits of this type particularly useful in nonvolatile, associative electronic memories based on models of neural networks. Such programmable analog memory resistors ideally suited as synaptic interconnects in "self-learning" neural nets. Operation of device depends on electrochromic property of WO3, which when pure is insulator. Potential uses include nonvolatile, erasable, electronically programmable read-only memories.

If It's Resonance, What is Resonating?

ERIC Educational Resources Information Center

Kerber, Robert C.

2006-01-01

The phenomenon under the name "resonance," which, is based on the mathematical analogy between mechanical resonance and the behavior of wave functions in quantum mechanical exchange phenomena was described. The resonating system does not have a structure intermediate between those involved in the resonance, but instead a structure which is further…

Helping Students Put Shape on the Past: Systematic Use of Analogies to Accelerate Understanding

ERIC Educational Resources Information Center

Myson, Ian

2006-01-01

One of the challenges facing pupils in the history classroom is conceptual understanding. Pupils also find it difficult to recognise themes or patterns across different parts of time and space. Ian Myson has recognised the importance of analogy as a way to facilitate pupils' understanding. He is quick to recognise, however, that poor use of…

Adding a dimension to the infrared spectra of interfaces: 2D SFG spectroscopy via mid-IR pulse shaping

NASA Astrophysics Data System (ADS)

Zanni, Martin

2012-02-01

Sum-frequency generation spectroscopy provides an infrared spectrum of interfaces and thus has widespread use in the materials and chemical sciences. In this presentation, I will present our recent work in developing a 2D pulse sequence to generate 2D SFG spectra of interfaces, in analogy to 2D infrared spectra used to measure bulk species. To develop this spectroscopy, we have utilized many of the tricks-of-the-trade developed in the 2D IR and 2D Vis communities in the last decade, including mid-IR pulse shaping. With mid-IR pulse shaping, the 2D pulse sequence is manipulated by computer programming in the desired frequency resolution, rotating frame, and signal pathway. We believe that 2D SFG will become an important tool in the interfacial sciences in an analogous way that 2D IR is now being used in many disciplines.

Electron microscopic analysis of rotavirus assembly-replication intermediates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boudreaux, Crystal E.; Kelly, Deborah F.; McDonald, Sarah M., E-mail: mcdonaldsa@vtc.vt.edu

2015-03-15

Rotaviruses (RVs) replicate their segmented, double-stranded RNA genomes in tandem with early virion assembly. In this study, we sought to gain insight into the ultrastructure of RV assembly-replication intermediates (RIs) using transmission electron microscopy (EM). Specifically, we examined a replicase-competent, subcellular fraction that contains all known RV RIs. Three never-before-seen complexes were visualized in this fraction. Using in vitro reconstitution, we showed that ~15-nm doughnut-shaped proteins in strings were nonstructural protein 2 (NSP2) bound to viral RNA transcripts. Moreover, using immunoaffinity-capture EM, we revealed that ~20-nm pebble-shaped complexes contain the viral RNA polymerase (VP1) and RNA capping enzyme (VP3). Finally,more » using a gel purification method, we demonstrated that ~30–70-nm electron-dense, particle-shaped complexes represent replicase-competent core RIs, containing VP1, VP3, and NSP2 as well as capsid proteins VP2 and VP6. The results of this study raise new questions about the interactions among viral proteins and RNA during the concerted assembly–replicase process. - Highlights: • Rotaviruses replicate their genomes in tandem with early virion assembly. • Little is known about rotavirus assembly-replication intermediates. • Assembly-replication intermediates were imaged using electron microscopy.« less

Production of Putative Diterpene Carboxylic Acid Intermediates of Triptolide in Yeast

DOE Office of Scientific and Technical Information (OSTI.GOV)

Forman, Victor; Callari, Roberta; Folly, Christophe

The development of medical applications exploiting the broad bioactivities of the diterpene therapeutic triptolide from Tripterygium wilfordii is limited by low extraction yields from the native plant. Furthermore, the extraordinarily high structural complexity prevents an economically attractive enantioselective total synthesis. An alternative production route of triptolide through engineered Saccharomyces cerevisiae (yeast) could provide a sustainable source of triptolide. A potential intermediate in the unknown biosynthetic route to triptolide is the diterpene dehydroabietic acid. Here, we report a biosynthetic route to dehydroabietic acid by transient expression of enzymes from T. wilfordii and Sitka spruce (Picea sitchensis) in Nicotiana benthamiana. The combinationmore » of diterpene synthases TwTPS9, TwTPS27, and cytochromes P450 PsCYP720B4 yielded dehydroabietic acid and a novel analog, tentatively identified as ‘miltiradienic acid’. This biosynthetic pathway was reassembled in a yeast strain engineered for increased yields of the pathway intermediates, the diterpene olefins miltiradiene and dehydroabietadiene. Introduction in that strain of PsCYP720B4 in combination with two alternative NADPH-dependent cytochrome P450 reductases resulted in scalable in vivo production of dehydroabietic acid and its analog from glucose. Approaching future elucidation of the remaining biosynthetic steps to triptolide, our findings may provide an independent platform for testing of additional recombinant candidate genes, and ultimately pave the way to biotechnological production of the high value diterpenoid therapeutic.« less

Production of Putative Diterpene Carboxylic Acid Intermediates of Triptolide in Yeast

DOE PAGES

Forman, Victor; Callari, Roberta; Folly, Christophe; ...

2017-06-13

The development of medical applications exploiting the broad bioactivities of the diterpene therapeutic triptolide from Tripterygium wilfordii is limited by low extraction yields from the native plant. Furthermore, the extraordinarily high structural complexity prevents an economically attractive enantioselective total synthesis. An alternative production route of triptolide through engineered Saccharomyces cerevisiae (yeast) could provide a sustainable source of triptolide. A potential intermediate in the unknown biosynthetic route to triptolide is the diterpene dehydroabietic acid. Here, we report a biosynthetic route to dehydroabietic acid by transient expression of enzymes from T. wilfordii and Sitka spruce (Picea sitchensis) in Nicotiana benthamiana. The combinationmore » of diterpene synthases TwTPS9, TwTPS27, and cytochromes P450 PsCYP720B4 yielded dehydroabietic acid and a novel analog, tentatively identified as ‘miltiradienic acid’. This biosynthetic pathway was reassembled in a yeast strain engineered for increased yields of the pathway intermediates, the diterpene olefins miltiradiene and dehydroabietadiene. Introduction in that strain of PsCYP720B4 in combination with two alternative NADPH-dependent cytochrome P450 reductases resulted in scalable in vivo production of dehydroabietic acid and its analog from glucose. Approaching future elucidation of the remaining biosynthetic steps to triptolide, our findings may provide an independent platform for testing of additional recombinant candidate genes, and ultimately pave the way to biotechnological production of the high value diterpenoid therapeutic.« less

Noise-shaping gradient descent-based online adaptation algorithms for digital calibration of analog circuits.

PubMed

Chakrabartty, Shantanu; Shaga, Ravi K; Aono, Kenji

2013-04-01

Analog circuits that are calibrated using digital-to-analog converters (DACs) use a digital signal processor-based algorithm for real-time adaptation and programming of system parameters. In this paper, we first show that this conventional framework for adaptation yields suboptimal calibration properties because of artifacts introduced by quantization noise. We then propose a novel online stochastic optimization algorithm called noise-shaping or ΣΔ gradient descent, which can shape the quantization noise out of the frequency regions spanning the parameter adaptation trajectories. As a result, the proposed algorithms demonstrate superior parameter search properties compared to floating-point gradient methods and better convergence properties than conventional quantized gradient-methods. In the second part of this paper, we apply the ΣΔ gradient descent algorithm to two examples of real-time digital calibration: 1) balancing and tracking of bias currents, and 2) frequency calibration of a band-pass Gm-C biquad filter biased in weak inversion. For each of these examples, the circuits have been prototyped in a 0.5-μm complementary metal-oxide-semiconductor process, and we demonstrate that the proposed algorithm is able to find the optimal solution even in the presence of spurious local minima, which are introduced by the nonlinear and non-monotonic response of calibration DACs.

Activated dynamics in dense fluids of attractive nonspherical particles. II. Elasticity, barriers, relaxation, fragility, and self-diffusion

NASA Astrophysics Data System (ADS)

Tripathy, Mukta; Schweizer, Kenneth S.

2011-04-01

In paper II of this series we apply the center-of-mass version of Nonlinear Langevin Equation theory to study how short-range attractive interactions influence the elastic shear modulus, transient localization length, activated dynamics, and kinetic arrest of a variety of nonspherical particle dense fluids (and the spherical analog) as a function of volume fraction and attraction strength. The activation barrier (roughly the natural logarithm of the dimensionless relaxation time) is predicted to be a rich function of particle shape, volume fraction, and attraction strength, and the dynamic fragility varies significantly with particle shape. At fixed volume fraction, the barrier grows in a parabolic manner with inverse temperature nondimensionalized by an onset value, analogous to what has been established for thermal glass-forming liquids. Kinetic arrest boundaries lie at significantly higher volume fractions and attraction strengths relative to their dynamic crossover analogs, but their particle shape dependence remains the same. A limited universality of barrier heights is found based on the concept of an effective mean-square confining force. The mean hopping time and self-diffusion constant in the attractive glass region of the nonequilibrium phase diagram is predicted to vary nonmonotonically with attraction strength or inverse temperature, qualitatively consistent with recent computer simulations and colloid experiments.

System for testing properties of a network

DOEpatents

Rawle, Michael; Bartholomew, David B.; Soares, Marshall A.

2009-06-16

A method for identifying properties of a downhole electromagnetic network in a downhole tool sting, including the step of providing an electromagnetic path intermediate a first location and a second location on the electromagnetic network. The method further includes the step of providing a receiver at the second location. The receiver includes a known reference. The analog signal includes a set amplitude, a set range of frequencies, and a set rate of change between the frequencies. The method further includes the steps of sending the analog signal, and passively modifying the signal. The analog signal is sent from the first location through the electromagnetic path, and the signal is modified by the properties of the electromagnetic path. The method further includes the step of receiving a modified signal at the second location and comparing the known reference to the modified signal.

Chloramphenicol Biosynthesis: The Structure of CmlS, a Flavin-Dependent Halogenase Shwing a Covalent Flavin-Aspartate Bond

DOE Office of Scientific and Technical Information (OSTI.GOV)

Podzelinska, K.; Latimer, R; Bhattacharya, A

2010-01-01

Chloramphenicol is a halogenated natural product bearing an unusual dichloroacetyl moiety that is critical for its antibiotic activity. The operon for chloramphenicol biosynthesis in Streptomyces venezuelae encodes the chloramphenicol halogenase CmlS, which belongs to the large and diverse family of flavin-dependent halogenases (FDH's). CmlS was previously shown to be essential for the formation of the dichloroacetyl group. Here we report the X-ray crystal structure of CmlS determined at 2.2 {angstrom} resolution, revealing a flavin monooxygenase domain shared by all FDHs, but also a unique 'winged-helix' C-terminal domain that creates a T-shaped tunnel leading to the halogenation active site. Intriguingly, themore » C-terminal tail of this domain blocks access to the halogenation active site, suggesting a structurally dynamic role during catalysis. The halogenation active site is notably nonpolar and shares nearly identical residues with Chondromyces crocatus tyrosyl halogenase (CndH), including the conserved Lys (K71) that forms the reactive chloramine intermediate. The exception is Y350, which could be used to stabilize enolate formation during substrate halogenation. The strictly conserved residue E44, located near the isoalloxazine ring of the bound flavin adenine dinucleotide (FAD) cofactor, is optimally positioned to function as a remote general acid, through a water-mediated proton relay, which could accelerate the reaction of the chloramine intermediate during substrate halogenation, or the oxidation of chloride by the FAD(C4{alpha})-OOH intermediate. Strikingly, the 8{alpha} carbon of the FAD cofactor is observed to be covalently attached to D277 of CmlS, a residue that is highly conserved in the FDH family. In addition to representing a new type of flavin modification, this has intriguing implications for the mechanism of FDHs. Based on the crystal structure and in analogy to known halogenases, we propose a reaction mechanism for CmlS.« less

High-yield production of herbicidal thaxtomins and analogs in a nonpathogenic Streptomyces strain.

PubMed

Jiang, Guangde; Zhang, Yucheng; Powell, Magan M; Zhang, Peilan; Zuo, Ran; Zhang, Yi; Kallifidas, Dimitrios; Tieu, Albert M; Luesch, Hendrik; Loria, Rosemary; Ding, Yousong

2018-03-30

Thaxtomins are virulence factors of most plant pathogenic Streptomyces strains. Due to their potent herbicidal activity, attractive environmental compatibility and inherent biodegradability, thaxtomins are key active ingredients of bioherbicides approved by the United States Environmental Protection Agency. However, the low yield of thaxtomins in native Streptomyces producers limits their wide agricultural applications. Here, we describe the high-yield production of thaxtomins in a heterologous host. The thaxtomin gene cluster from S. scabiei 87.22 was cloned and expressed in S. albus J1074 after chromosomal integration. The production of thaxtomins and nitro-tryptophan analogs were observed using LC-MS analysis. When culturing the engineered S. albus J1074 in the minimal medium TMDc, the yield of the most abundant and herbicidal analog, thaxtomin A, was 10 times higher than S. scabiei 87.22, and optimization of the medium resulted in the highest yield of thaxtomin analogs at about 222 mg/L. Further engineering of the thaxtomin biosynthetic gene cluster through gene deletion led to the production of multiple biosynthetic intermediates important to the chemical synthesis of new analogs. Additionally, the versatility of the thaxtomin biosynthetic system in S. albus J1074 was capitalized to produce one unnatural fluorinated analog 5-F-thaxtomin A, whose structure was elucidated by a combination of MS and 1D and 2D NMR analyses. Natural and unnatural thaxtomins demonstrated potent herbicidal activity in radish seedling assays. These results indicated that S. albus J1074 has the potential to produce thaxtomins and thereof with high yield, fostering their agricultural applications. IMPORTANCE Thaxtomins are agriculturally valuable herbicidal natural products but the productivity of native producers is limiting. Heterologous expression of thaxtomin gene cluster in S. albus J1074 resulted in the highest yield of thaxtomins ever reported, representing a significant leap forward in its wide agricultural use. Furthermore, current synthetic routes to thaxtomins and analogs are lengthy, and two thaxtomin biosynthetic intermediates produced at high yields in this work can provide precursors and building blocks to advanced synthetic routes. Importantly, the production of 5-F-thaxtomin A in engineered S. albus J1074 demonstrated a viable alternative to chemical methods in the synthesis of new thaxtomin analogs. Moreover, our work presents an attractive synthetic biology strategy to improve the supply of herbicidal thaxtomins, likely finding general applications in the discovery and production of many other bioactive natural products. Copyright © 2018 American Society for Microbiology.

A laboratory study of subjective response to sonic booms measured at White Sands Missile Range

NASA Technical Reports Server (NTRS)

Sullivan, Brenda M.; Leatherwood, Jack D.

1993-01-01

The Sonic Boom Simulator of the Langley Research Center was used to quantify subjective loudness response to boom signatures consisting of: (1) simulator reproductions of booms recently recorded at White Sands Missile Range; (2) idealized N-waves; and (3) idealized booms having intermediate shocks. The booms with intermediate shocks represented signatures derived from CFD predictions. The recorded booms represented those generated by F15 and T38 aircraft flyovers and represented a variety of waveforms reflecting the effects of propagation through a turbulent atmosphere. These waveforms included the following shape categories: N-waves, peaked, rounded, and U-shaped. Results showed that Perceived Level and Zwicker Loudness Level were good estimators of the loudness of turbulence modified sonic booms. No significant differences were observed between loudness responses for the several shape categories when expressed in terms of Perceived Level. Thus, Perceived Level effectively accounted for waveform differences due to turbulence. Idealized booms with intermediate shocks, however, were rated as being approximately 2.7 dB(PL) less loud than the recorded signatures. This difference was not accounted for by PL.

Computerized Experiments Using an A/D Converter.

ERIC Educational Resources Information Center

Karl, John H.

The indroduction of on-line data collection and data processing techniques into an intermediate physics laboratory is described. Using a minimum configuration PDP-8L and a Digital Equipment AD01 analog to digital converter, an interface is developed with two existing experiments. These are a microwave apparatus used to simulate Bragg diffraction…

Intermediate-valence state of the Sm and Eu in SmB 6 and EuCu 2 Si 2 : neutron spectroscopy data and analysis

DOE PAGES

Savchenkov, P. S.; Alekseev, P. A.; Podlesnyak, A.; ...

2018-01-11

For this study, magnetic neutron scattering data for Sm (SmB 6, Sm(Y)S) and Eu (EuCu 2Si 2- x Ge x ) intermediate-valence compounds have been analysed in terms of a generalized model of the intermediate-radius exciton. Special attention is paid to the correlation between the average ion's valence and parameters of the low-energy excitation in the neutron spectra, such as the resonance mode, including its magnetic form factor. Along with specific features of the formation of the intermediate-valence state for Sm and Eu ions, common physical mechanisms have been revealed for systems based on these elements from the middle ofmore » the rare-earth series. A consistent description of the existing experimental data has been obtained by using the concept of a loosely bound hole for the Eu f-electron shell in the intermediate-valence state, in analogy with the previously established loosely bound electron model for the Sm ion.« less

Control of Synchronization Regimes in Networks of Mobile Interacting Agents

NASA Astrophysics Data System (ADS)

Perez-Diaz, Fernando; Zillmer, Ruediger; Groß, Roderich

2017-05-01

We investigate synchronization in a population of mobile pulse-coupled agents with a view towards implementations in swarm-robotics systems and mobile sensor networks. Previous theoretical approaches dealt with range and nearest-neighbor interactions. In the latter case, a synchronization-hindering regime for intermediate agent mobility is found. We investigate the robustness of this intermediate regime under practical scenarios. We show that synchronization in the intermediate regime can be predicted by means of a suitable metric of the phase response curve. Furthermore, we study more-realistic K -nearest-neighbor and cone-of-vision interactions, showing that it is possible to control the extent of the synchronization-hindering region by appropriately tuning the size of the neighborhood. To assess the effect of noise, we analyze the propagation of perturbations over the network and draw an analogy between the response in the hindering regime and stable chaos. Our findings reveal the conditions for the control of clock or activity synchronization of agents with intermediate mobility. In addition, the emergence of the intermediate regime is validated experimentally using a swarm of physical robots interacting with cone-of-vision interactions.

Intermediate-valence state of the Sm and Eu in SmB 6 and EuCu 2 Si 2 : neutron spectroscopy data and analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Savchenkov, P. S.; Alekseev, P. A.; Podlesnyak, A.

For this study, magnetic neutron scattering data for Sm (SmB 6, Sm(Y)S) and Eu (EuCu 2Si 2- x Ge x ) intermediate-valence compounds have been analysed in terms of a generalized model of the intermediate-radius exciton. Special attention is paid to the correlation between the average ion's valence and parameters of the low-energy excitation in the neutron spectra, such as the resonance mode, including its magnetic form factor. Along with specific features of the formation of the intermediate-valence state for Sm and Eu ions, common physical mechanisms have been revealed for systems based on these elements from the middle ofmore » the rare-earth series. A consistent description of the existing experimental data has been obtained by using the concept of a loosely bound hole for the Eu f-electron shell in the intermediate-valence state, in analogy with the previously established loosely bound electron model for the Sm ion.« less

A CLASSICAL ANALOG FOR RELATIVISTIC CONTRACTION

DOE Office of Scientific and Technical Information (OSTI.GOV)

Epstein, L.

1963-12-01

It is possible to construct a mechanical model that demonstrates the Fitzgerald contraction. An equation is derived to describe the shape of a dimple moving across an elastic membrane, clearly showing the analogy to the field of a point charge in free space, including the relativistic contraction in the direction of motion. This model should suggest some reason to the inquiring mind that persists in wondering---- what really makes it shrink.'' (auth)

Particle in a box in PT-symmetric quantum mechanics and an electromagnetic analog

NASA Astrophysics Data System (ADS)

Dasarathy, Anirudh; Isaacson, Joshua P.; Jones-Smith, Katherine; Tabachnik, Jason; Mathur, Harsh

2013-06-01

In PT-symmetric quantum mechanics a fundamental principle of quantum mechanics, that the Hamiltonian must be Hermitian, is replaced by another set of requirements, including notably symmetry under PT, where P denotes parity and T denotes time reversal. Here we study the role of boundary conditions in PT-symmetric quantum mechanics by constructing a simple model that is the PT-symmetric analog of a particle in a box. The model has the usual particle-in-a-box Hamiltonian but boundary conditions that respect PT symmetry rather than Hermiticity. We find that for a broad class of PT-symmetric boundary conditions the model respects the condition of unbroken PT symmetry, namely, that the Hamiltonian and the symmetry operator PT have simultaneous eigenfunctions, implying that the energy eigenvalues are real. We also find that the Hamiltonian is self-adjoint under the PT-symmetric inner product. Thus we obtain a simple soluble model that fulfills all the requirements of PT-symmetric quantum mechanics. In the second part of this paper we formulate a variational principle for PT-symmetric quantum mechanics that is the analog of the textbook Rayleigh-Ritz principle. Finally we consider electromagnetic analogs of the PT-symmetric particle in a box. We show that the isolated particle in a box may be realized as a Fabry-Perot cavity between an absorbing medium and its conjugate gain medium. Coupling the cavity to an external continuum of incoming and outgoing states turns the energy levels of the box into sharp resonances. Remarkably we find that the resonances have a Breit-Wigner line shape in transmission and a Fano line shape in reflection; by contrast, in the corresponding Hermitian case the line shapes always have a Breit-Wigner form in both transmission and reflection.

How the creative use of analogies can shape medical practice.

PubMed

Prasad, G V Ramesh

2015-06-01

Analogical reasoning is central to medical progress, and is either creative or conservative. According to Hofmann et al., conservative analogy relates concepts from old technology to new technologies with emphasis on preservation of comprehension and conduct. Creative analogy however brings new understanding to new technology, brings similarities existing in the source domain to a target domain where they previously had no bearing, and imports something entirely different from the content of the analogy itself. I defend the claim that while conservative analogies are useful by virtue of being comfortable to use from familiarity and experience, and are more easily accepted by society, they only lead to incremental advances in medicine. However, creative analogies are more exciting and productive because they generate previously unexpected associations across widely separated domains, emphasize relations over physical similarities, and structure over superficiality. I use kidney transplantation and anti-rejection medication development as an exemplar of analogical reasoning used to improve medical practice. Anti-rejection medication has not helped highly sensitized patients because of their propensity to rejecting most organs. I outline how conservative analogical reasoning led to anti-rejection medication development, but creative analogical reasoning helped highly sensitized and blood type incompatible patients through domino transplants, by which they obtain a kidney to which they are not sensitized. Creative analogical reasoning is more likely than conservative analogical reasoning to lead to revolutionary progress. While these analogies overlap and creative analogies eventually become conservative, progress is best facilitated by combining conservative and creative analogical reasoning. © 2015 John Wiley & Sons, Ltd.

Defining Lipid Transport Pathways in Animal Cells

NASA Astrophysics Data System (ADS)

Pagano, Richard E.; Sleight, Richard G.

1985-09-01

A new technique for studying the metabolism and intracellular transport of lipid molecules in living cells based on the use of fluorescent lipid analogs is described. The cellular processing of various intermediates (phosphatidic acid and ceramide) and end products (phosphatidylcholine and phosphatidylethanolamine) in lipid biosynthesis is reviewed and a working model for compartmentalization during lipid biosynthesis is presented.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clark, D. S.; Milovich, J. L.; Hinkel, D. E.

Recent experimental results using the “high foot” pulse shape for inertial confinement fusion ignition experiments on the National Ignition Facility (NIF) [Moses et al., Phys. Plasmas 16, 041006 (2009)] have shown encouraging progress compared to earlier “low foot” experiments. These results strongly suggest that controlling ablation front instability growth can significantly improve implosion performance even in the presence of persistent, large, low-mode distortions. Simultaneously, hydrodynamic growth radiography experiments have confirmed that ablation front instability growth is being modeled fairly well in NIF experiments. It is timely then to combine these two results and ask how current ignition pulse shapes couldmore » be modified to improve one-dimensional implosion performance while maintaining the stability properties demonstrated with the high foot. This paper presents such a survey of pulse shapes intermediate between the low and high foot extremes in search of an intermediate foot optimum. Of the design space surveyed, it is found that a higher picket version of the low foot pulse shape shows the most promise for improved compression without loss of stability.« less

Success and failure of the plasma analogy for Laughlin states on a torus

NASA Astrophysics Data System (ADS)

Fremling, Mikael

2017-01-01

We investigate the nature of the plasma analogy for the Laughlin wave function on a torus describing the quantum Hall plateau at ν =\\frac{1}{q} . We first establish, as expected, that the plasma is screening if there are no short nontrivial paths around the torus. We also find that when one of the handles has a short circumference—i.e. the thin-torus limit—the plasma no longer screens. To quantify this we compute the normalization of the Laughlin state, both numerically and analytically. In the thin torus limit, the analytical form of the normalization simplify and we can reconstruct the normalization and analytically extend it back into the 2D regime. We find that there are geometry dependent corrections to the normalization, and this in turn implies that the plasma in the plasma analogy is not screening when in the thin torus limit. Despite the breaking of the plasma analogy in this limit, the analytical approximation is still a good description of the normalization for all tori, and also allows us to compute hall viscosity at intermediate thickness.

Iterative Chemical Engineering of Vancomycin Leads to Novel Vancomycin Analogs With a High in Vitro Therapeutic Index.

PubMed

Mishra, Nigam M; Stolarzewicz, Izabela; Cannaerts, David; Schuermans, Joris; Lavigne, Rob; Looz, Yannick; Landuyt, Bart; Schoofs, Liliane; Schols, Dominique; Paeshuyse, Jan; Hickenbotham, Peter; Clokie, Martha; Luyten, Walter; Van der Eycken, Erik V; Briers, Yves

2018-01-01

Vancomycin is a glycopeptide antibiotic that inhibits transpeptidation during cell wall synthesis by binding to the D-Ala-D-Ala termini of lipid II. For long, it has been used as a last resort antibiotic. However, since the emergence of the first vancomycin-resistant enterococci in 1987, vancomycin resistance has become widespread, especially in hospitals. We have synthesized and evaluated 110 vancomycin analogs modified at the C-terminal carboxyl group of the heptapeptide moiety with R 2 NHR 1 NH 2 substituents. Through iterative optimizations of the substituents, we identified vancomycin analogs that fully restore (or even exceed) the original inhibitory activity against vancomycin-resistant enterococci (VRE), vancomycin-intermediate (VISA) and vancomycin-resistant Staphylococcus aureus (VRSA) strains. The best analogs have improved growth inhibitory activity and in vitro therapeutic indices against a broad set of VRE and methicillin-resistant S. aureus (MRSA) isolates. They also exceed the activity of vancomycin against Clostridium difficile ribotypes. Vanc-39 and Vanc-42 have a low probability to provoke antibiotic resistance, and overcome different vancomycin resistance mechanisms (VanA, VanB, and VanC1).

Nuclear quantum effects in electronically adiabatic quantum time correlation functions: Application to the absorption spectrum of a hydrated electron

NASA Astrophysics Data System (ADS)

Turi, László; Hantal, György; Rossky, Peter J.; Borgis, Daniel

2009-07-01

A general formalism for introducing nuclear quantum effects in the expression of the quantum time correlation function of an operator in a multilevel electronic system is presented in the adiabatic limit. The final formula includes the nuclear quantum time correlation functions of the operator matrix elements, of the energy gap, and their cross terms. These quantities can be inferred and evaluated from their classical analogs obtained by mixed quantum-classical molecular dynamics simulations. The formalism is applied to the absorption spectrum of a hydrated electron, expressed in terms of the time correlation function of the dipole operator in the ground electronic state. We find that both static and dynamic nuclear quantum effects distinctly influence the shape of the absorption spectrum, especially its high energy tail related to transitions to delocalized electron states. Their inclusion does improve significantly the agreement between theory and experiment for both the low and high frequency edges of the spectrum. It does not appear sufficient, however, to resolve persistent deviations in the slow Lorentzian-like decay part of the spectrum in the intermediate 2-3 eV region.

HPLC and HPLC/MS/MS Studies on Stress, Accelerated and Intermediate Degradation Tests of Antivirally Active Tricyclic Analog of Acyclovir.

PubMed

Lesniewska, Monika A; Dereziński, Paweł; Klupczyńska, Agnieszka; Kokot, Zenon J; Ostrowski, Tomasz; Zeidler, Joanna; Muszalska, Izabela

2015-01-01

The degradation behavior of a tricyclic analog of acyclovir [6-(4-MeOPh)-TACV] was determined in accordance with International Conference on Harmonization guidelines for good clinical practice under different stress conditions (neutral hydrolysis, strong acid/base degradation, oxidative decomposition, photodegradation, and thermal degradation). Accelerated [40±2°C/75%±5% relative humidity (RH)] and intermediate (30±2°C/65%±5% RH) stability tests were also performed. For observation of the degradation of the tested compound the RP-HPLC was used, whereas for the analysis of its degradation products HPLC/MS/MS was used. Degradation of the tested substance allowed its classification as unstable in neutral environment, acidic/alkaline medium, and in the presence of oxidizing agent. The tested compound was also light sensitive and was classified as photolabile both in solution and in the solid phase. However, the observed photodegradation in the solid phase was at a much lower level than in the case of photodegradation in solution. The study showed that both air temperature and RH had no significant effect on the stability of the tested substance during storage for 1 month at 100°C (dry heat) as well as during accelerated and intermediate tests. Based on the HPLC/MS/MS analysis, it can be concluded that acyclovir was formed as a degradation product of 6-(4-MeOPh)-TACV.

Globally Important Haptophyte Algae Use Exogenous Pyrimidine Compounds More Efficiently than Thiamin

PubMed Central

Gutowska, Magdalena A.; Shome, Brateen; Sudek, Sebastian; McRose, Darcy L.; Hamilton, Maria; Giovannoni, Stephen J.; Begley, Tadhg P.

2017-01-01

ABSTRACT Vitamin B1 (thiamin) is a cofactor for critical enzymatic processes and is scarce in surface oceans. Several eukaryotic marine algal species thought to rely on exogenous thiamin are now known to grow equally well on the precursor 4-amino-5-hydroxymethyl-2-methylpyrimidine (HMP), including the haptophyte Emiliania huxleyi. Because the thiamin biosynthetic capacities of the diverse and ecologically important haptophyte lineage are otherwise unknown, we investigated the pathway in transcriptomes and two genomes from 30 species representing six taxonomic orders. HMP synthase is missing in data from all studied taxa, but the pathway is otherwise complete, with some enzymatic variations. Experiments on axenic species from three orders demonstrated that equivalent growth rates were supported by 1 µM HMP or thiamin amendment. Cellular thiamin quotas were quantified in the oceanic phytoplankter E. huxleyi using the thiochrome assay. E. huxleyi exhibited luxury storage in standard algal medium [(1.16 ± 0.18) × 10−6 pmol thiamin cell−1], whereas quotas in cultures grown under more environmentally relevant thiamin and HMP supplies [(2.22 ± 0.07) × 10−7 or (1.58 ± 0.14) × 10−7 pmol thiamin cell−1, respectively] were significantly lower than luxury values and prior estimates. HMP and its salvage-related analog 4-amino-5-aminomethyl-2-methylpyrimidine (AmMP) supported higher growth than thiamin under environmentally relevant supply levels. These compounds also sustained growth of the stramenopile alga Pelagomonas calceolata. Together with identification of a salvage protein subfamily (TENA_E) in multiple phytoplankton, the results indicate that salvaged AmMP and exogenously acquired HMP are used by several groups for thiamin production. Our studies highlight the potential importance of thiamin pathway intermediates and their analogs in shaping phytoplankton community structure. PMID:29018119

Analysis and design of composite slab by varying different parameters

NASA Astrophysics Data System (ADS)

Lambe, Kedar; Siddh, Sharda

2018-03-01

Composite deck slabs are in demand because of its faster, lighter and economical construction work. Composite slab consists of cold formed deck profiled sheet and concrete either lightweight or normal. Investigation of shear behaviour of the composite slab is very complex. Shear bond strength depends on the various parameter such as a shape of sheeting, a thickness of the sheet, type of embossment and its frequency of use, shear stiffener or intermediate stiffener, type of load, an arrangement of load, length of shear span, the thickness of concrete and support friction etc. In present study finite element analysis is carried out with ABAQUS 6.13, a simply supported composite slab is considered for the investigation of the shear bond behaviour of the composite slab by considering variation in three different parameters, the shape of a sheet, thickness of sheet and shear span. Different shear spans of two different shape of cold formed deck profiled sheet i.e. with intermediate stiffeners and without intermediate stiffeners are considered with two different thicknesses (0.8 mm and 1.2 mm) for simulation. In present work, simulation of models has done for static loading with 20 mm mesh size is considered.

Modifying the lantibiotic mutacin 1140 for increased yield, activity and stability.

PubMed

Geng, Mengxin; Smith, Leif

2018-05-18

Mutacin 1140 belongs to the epidermin family of type AI lantibiotics. This family has a broad spectrum of activity against Gram-positive bacteria. The binding of mutacin 1140 to lipid II leads to the inhibition of cell wall synthesis. Pharmacokinetic experiments on type AI lantibiotics are generally discouraging for clinical applications due to their short half-life. The unprotected dehydrated and protease susceptible residues outside of the lanthionine rings may play a role in their short half-life in physiological settings. Previous mutagenesis work on mutacin 1140 has been limited to the lanthionine-forming residues, C-terminal decarboxylated residue, and single amino acid substitutions in positions Phe1, Trp4, Dha5, and Arg13. To study the importance of the dehydrated (Dha5 and Dhb14) and protease susceptible (Lys2 and Arg13) residues within mutacin 1140 for stability and bioactivity, each of these residues were evaluated for their impact on production and inhibitory activity. More than 15 analogs were purified, enabling the direct comparison of the activity against a select panel of Gram-positive bacteria. The efficiency of the post-translational modification (PTM) machinery of mutacin 1140 is highly restricted on its substrate. Analogs in the various intermediate stages of PTMs were observed as minor products following single point mutations at 2 nd , 5 th , 13 th , and 14 th positions. The combination of alanine substitutions at the Dha5 and Dhb14 positions abolished mutacin 1140 production, while the production was restored with the substitutions of a Gly residue at one of these positions. Analogs with improved activity, productivity and proteolytic stability were identified. IMPORTANCE Our findings show that the efficiency of the mutacin 1140 PTMs is highly dependent on the core peptide sequence. Analogs in various intermediate stages of PTMs can be transported by the bacterium, which indicates that PTMs and transport are finely tuned for the native mutacin 1140 core peptide. Only certain combinations of amino acid substitutions at the Dha5 and Dhb14 dehydrated residue positions were tolerated. Observation of glutamylated core peptide analogs show that dehydrations occur in a glutamate dependent manner. Interestingly, mutations in positions outside of rings A and B, the lipid II binding domain, would interfere with lipid II binding. Purified mutacin 1140 analogs have varying activity and selectivity against different genera of bacteria, supporting the effort to generate analogs with higher specificity against pathogenic bacteria. The discovery of analogs with improved inhibitory activity against pathogenic bacteria, increased protease stability, and higher product yields, may promote the clinical development of this unique antimicrobial compound. Copyright © 2018 American Society for Microbiology.

Triazolophostins: a library of novel and potent agonists of IP3 receptors.

PubMed

Vibhute, Amol M; Konieczny, Vera; Taylor, Colin W; Sureshan, Kana M

2015-06-28

IP3 receptors are channels that mediate the release of Ca(2+) from the intracellular stores of cells stimulated by hormones or neurotransmitters. Adenophostin A (AdA) is the most potent agonist of IP3 receptors, with the β-anomeric adenine contributing to the increased potency. The potency of AdA and its stability towards the enzymes that degrade IP3 have aroused interest in AdA analogs for biological studies. The complex structure of AdA poses problems that have necessitated optimization of synthetic conditions for each analog. Such lengthy one-at-a-time syntheses limit access to AdA analogs. We have addressed this problem by synthesizing a library of triazole-based AdA analogs, triazolophostins, by employing click chemistry. An advanced intermediate having all the necessary phosphates and a β-azide at the anomeric position was reacted with various alkynes under Cu(i) catalysis to yield triazoles, which upon deprotection gave triazolophostins. All eleven triazolophostins synthesized are more potent than IP3 and some are equipotent with AdA in functional analyses of IP3 receptors. We show that a triazole ring can replace adenine without compromising the potency of AdA and provide facile routes to novel AdA analogs.

U-SHAPED DOSE-RESPONSE CURVES: THEIR OCCURRENCE AND IMPLICATIONS FOR RISK ASSESSMENT

EPA Science Inventory

A class of curvilinear dose-response relationships in toxicological and epidemiological studies may be roughly described by "U-shaped curves. uch curves reflect an apparent reversal or inversion in the effect of an otherwise toxic agent at a low or intermediate region of the dose...

Mass production of shaped particles through vortex ring freezing

NASA Astrophysics Data System (ADS)

An, Duo; Warning, Alex; Yancey, Kenneth G.; Chang, Chun-Ti; Kern, Vanessa R.; Datta, Ashim K.; Steen, Paul H.; Luo, Dan; Ma, Minglin

2016-08-01

A vortex ring is a torus-shaped fluidic vortex. During its formation, the fluid experiences a rich variety of intriguing geometrical intermediates from spherical to toroidal. Here we show that these constantly changing intermediates can be `frozen' at controlled time points into particles with various unusual and unprecedented shapes. These novel vortex ring-derived particles, are mass-produced by employing a simple and inexpensive electrospraying technique, with their sizes well controlled from hundreds of microns to millimetres. Guided further by theoretical analyses and a laminar multiphase fluid flow simulation, we show that this freezing approach is applicable to a broad range of materials from organic polysaccharides to inorganic nanoparticles. We demonstrate the unique advantages of these vortex ring-derived particles in several applications including cell encapsulation, three-dimensional cell culture, and cell-free protein production. Moreover, compartmentalization and ordered-structures composed of these novel particles are all achieved, creating opportunities to engineer more sophisticated hierarchical materials.

Meat analog: a review.

PubMed

Malav, O P; Talukder, S; Gokulakrishnan, P; Chand, S

2015-01-01

The health-conscious consumers are in search of nutritious and convenient food item which can be best suited in their busy life. The vegetarianism is the key for the search of such food which resembles the meat in respect of nutrition and sensory characters, but not of animal origin and contains vegetable or its modified form, this is the point when meat analog evolved out and gets shape. The consumers gets full satisfaction by consumption of meat analog due to its typical meaty texture, appearance and the flavor which are being imparted during the skilled production of meat analog. The supplement of protein in vegetarian diet through meat alike food can be fulfilled by incorporating protein-rich vegetative food grade materials in meat analog and by adopting proper technological process which can promote the proper fabrication of meat analog with acceptable meat like texture, appearance, flavor, etc. The easily available vegetables, cereals, and pulses in India have great advantages and prospects to be used in food products and it can improve the nutritional and functional characters of the food items. The various form and functional characters of food items are available world over and attracts the meat technologists and the food processors to bring some innovativeness in meat analog and its presentation and marketability so that the acceptability of meat analog can be overgrown by the consumers.

Multifunctional Logic Gate Controlled by Temperature

NASA Technical Reports Server (NTRS)

Stoica, Adrian; Zebulum, Ricardo

2005-01-01

A complementary metal oxide/semiconductor (CMOS) electronic circuit has been designed to function as a NAND gate at a temperature between 0 and 80 deg C and as a NOR gate at temperatures from 120 to 200 C. In the intermediate temperature range of 80 to 120 C, this circuit is expected to perform a function intermediate between NAND and NOR with degraded noise margin. The process of designing the circuit and the planned fabrication and testing of the circuit are parts of demonstration of polymorphic electronics a technological discipline that emphasizes designing the same circuit to perform different analog and/or digital functions under different conditions. In this case, the different conditions are different temperatures.

Investigation and Manipulation of Different Analog Behaviors of Memristor as Electronic Synapse for Neuromorphic Applications.

PubMed

Wang, Changhong; He, Wei; Tong, Yi; Zhao, Rong

2016-03-14

Low-power and high-density electronic synapse is an important building block of brain-inspired systems. The recent advancement in memristor has provided an opportunity to advance electronic synapse design. However, a guideline on designing and manipulating the memristor's analog behaviors is still lacking. In this work, we reveal that compliance current (Icomp) of electroforming process played an important role in realizing a stable analog behavior, which is attributed to the generation of conical-type conductive filament. A proper Icomp could result in a large conductance window, good stability, and low voltage analog switching. We further reveal that different pulse conditions can lead to three analog behaviors, where the conductance changes in monotonic increase, plateau after initial jump, and impulse-like shape, respectively. These behaviors could benefit the design of electronic synapse with enriched learning capabilities. This work will provide a useful guideline for designing and manipulating memristor as electronic synapses for brain-inspired systems.

Investigation and Manipulation of Different Analog Behaviors of Memristor as Electronic Synapse for Neuromorphic Applications

NASA Astrophysics Data System (ADS)

Wang, Changhong; He, Wei; Tong, Yi; Zhao, Rong

2016-03-01

Low-power and high-density electronic synapse is an important building block of brain-inspired systems. The recent advancement in memristor has provided an opportunity to advance electronic synapse design. However, a guideline on designing and manipulating the memristor’s analog behaviors is still lacking. In this work, we reveal that compliance current (Icomp) of electroforming process played an important role in realizing a stable analog behavior, which is attributed to the generation of conical-type conductive filament. A proper Icomp could result in a large conductance window, good stability, and low voltage analog switching. We further reveal that different pulse conditions can lead to three analog behaviors, where the conductance changes in monotonic increase, plateau after initial jump, and impulse-like shape, respectively. These behaviors could benefit the design of electronic synapse with enriched learning capabilities. This work will provide a useful guideline for designing and manipulating memristor as electronic synapses for brain-inspired systems.

A virtual reconstruction and comparative analysis of the KNM-ER 42700 cranium.

PubMed

Bauer, Catherine C; Harvati, Katerina

2015-01-01

The taxonomic attribution of the 1.55 million year old young adult fossil calvaria KNM-ER 42700   from Ileret, Kenya, is subject to ongoing controversy. It has been attributed to H. erectus based on comparative description and linear measurements. However, 3-D geometric morphometric analysis found that this specimen fell outside the range of variation of H. erectus in its cranial shape, which was intermediate between H. erectus and modern humans. One problem is that analyses so far were conducted on the original specimen, which shows slight post-mortem distortion. Here we use a surface scan of a high resolution cast of KNM-ER 42700 to virtually reconstruct the calvaria and conduct a new 3D geometric morphometric analysis of both its original and its reconstructed shape. Our comparative sample included several specimens of H. erectus (s.l., including the subadult KNM-WT 15000), H. habilis, H. heidelbergenis (s.l.) and H. neanderthalensis, as well as early and Upper Paleolithic H. sapiens. Our principal component analysis results showed that, like the original specimen, our virtual reconstruction of KNM-ER 42700 is also intermediate in shape between fossil Homo and modern humans. Taphonomic distortion, therefore, appears to not have been a major factor affecting previous 3-D geometric morphometric analyses. The intermediate shape of KNM-ER 42700 might instead be related to the young developmental age of the specimen. Further work on reconstructing the original specimen or based on computed tomorgraphic scans is needed to confirm these results.

Theoretical Limits of Lunar Vision Aided Navigation with Inertial Navigation System

DTIC Science & Technology

2015-03-26

camera model. Light reflected or projected from objects in the scene of the outside world is taken in by the aperture (or opening) shaped as a double...model’s analog aspects with an analog-to-digital interface converting raw images of the outside world scene into digital information a computer can use to...Figure 2.7. Digital Image Coordinate System. Used with permission [30]. Angular Field of View. The angular field of view is the angle of the world scene

40 CFR 464.02 - General definitions.

Code of Federal Regulations, 2014 CFR

2014-07-01

... intermediate or final product by pouring or forcing the molten metal into a mold, except for ingots, pigs, or... product by pouring or forcing the molten metal into a mold, except for ingots, pigs, or other cast shapes... into a mold, except for ingots, pigs, or other cast shapes related to nonferrous (primary) metals...

40 CFR 464.02 - General definitions.

Code of Federal Regulations, 2012 CFR

2012-07-01

... intermediate or final product by pouring or forcing the molten metal into a mold, except for ingots, pigs, or... product by pouring or forcing the molten metal into a mold, except for ingots, pigs, or other cast shapes... into a mold, except for ingots, pigs, or other cast shapes related to nonferrous (primary) metals...

40 CFR 464.02 - General definitions.

Code of Federal Regulations, 2013 CFR

2013-07-01

... intermediate or final product by pouring or forcing the molten metal into a mold, except for ingots, pigs, or... product by pouring or forcing the molten metal into a mold, except for ingots, pigs, or other cast shapes... into a mold, except for ingots, pigs, or other cast shapes related to nonferrous (primary) metals...

Solar-assisted synthesis of ZnO nanoparticles using lime juice: a green approach

NASA Astrophysics Data System (ADS)

Hinge, Shruti P.; Pandit, Aniruddha B.

2017-12-01

Zinc oxide (ZnO) nanoparticles are those nanoparticles which have been synthesized in various morphologies and shapes. Their size and shape dependent properties and their applications in vivid sectors of science and technology make them interesting to synthesize. Present work reports a green method for ZnO nanoparticle synthesis using lime juice and sunlight. ZnO nanoparticles were also synthesized by conventionally used methods like heating, stirring or no heating and/or stirring. The nanoparticles were characterized using different techniques like UV-vis spectroscopy, scanning electron microscopy (SEM), x-ray diffraction (XRD) and dynamic light scattering (DLS). Thermo gravimetric analysis (TGA) was also carried out for the intermediate product to select the calcination temperature. Stoichiometric study reveals that the intermediate product formed is zinc citrate dihydrate. The synthesized calcined nanoparticles have good crystallinity, uniform shape, and high purity and were in the size range of 20-30 nm. These nanoparticles formed agglomerates of various shapes in the size range of 200-750 nm. This process is ecofriendly and is amiable for easy scale up.

Micro-structure and motion of two-dimensional dense short spherocylinder liquids

NASA Astrophysics Data System (ADS)

Wang, Wen; Lin, Jyun-Ting; Su, Yen-Shuo; I, Lin

2018-03-01

We numerically investigate the micro-structure and motion of 2D liquids composed of dense short spherocylinders, by reducing the shape aspect ratio from 3. It is found that reducing shape aspect ratio from 3 causes a smooth transition from heterogeneous structures composed of crystalline ordered domains with good tetratic alignment order to those with good hexagonal bond-orientational order at an aspect ratio equaling 1.35. In the intermediate regime, both structural orders are strongly deteriorated, and the translational hopping rate reaches a maximum due to the poor particle interlocking of the disordered structure. Shortening rod length allows easier rotation, induces monotonic increase of rotational hopping rates, and resumes the separation of rotational and translational hopping time scales at the small aspect ratio end, after the crossover of their rates in the intermediate regime. At the large shape aspect ratio end, the poor local tetratic order has the same positive effects on facilitating local rotational and translational hopping. In contrast, at the small shape aspect ratio end, the poor local bond orientational order has the opposite effects on facilitating local rotational and translational hopping.

Dispersal of Volcanic Ash on Mars: Ash Grain Shape Analysis

NASA Astrophysics Data System (ADS)

Langdalen, Z.; Fagents, S. A.; Fitch, E. P.

2017-12-01

Many ash dispersal models use spheres as ash-grain analogs in drag calculations. These simplifications introduce inaccuracies in the treatment of drag coefficients, leading to inaccurate settling velocities and dispersal predictions. Therefore, we are investigating the use of a range of shape parameters, calculated using grain dimensions, to derive a better representation of grain shape and effective grain cross-sectional area. Specifically, our goal is to apply our results to the modeling of ash deposition to investigate the proposed volcanic origin of certain fine-grained deposits on Mars. Therefore, we are documenting the dimensions and shapes of ash grains from terrestrial subplinian to plinian deposits, in eight size divisions from 2 mm to 16 μm, employing a high resolution optical microscope. The optical image capture protocol provides an accurate ash grain outline by taking multiple images at different focus heights prior to combining them into a composite image. Image composite mosaics are then processed through ImageJ, a robust scientific measurement software package, to calculate a range of dimensionless shape parameters. Since ash grains rotate as they fall, drag forces act on a changing cross-sectional area. Therefore, we capture images and calculate shape parameters of each grain positioned in three orthogonal orientations. We find that the difference between maximum and minimum aspect ratios of the three orientations of a given grain best quantifies the degree of elongation of that grain. However, the average aspect ratio calculated for each grain provides a good representation of relative differences among grains. We also find that convexity provides the best representation of surface irregularity. For both shape parameters, natural ash grains display notably different shape parameter values than sphere analogs. Therefore, Mars ash dispersal modeling that incorporates shape parameters will provide more realistic predictions of deposit extents because volcanic ash-grain morphologies differ substantially from simplified geometric shapes.

Internal wave scattering in continental slope canyons, part 1: Theory and development of a ray tracing algorithm

NASA Astrophysics Data System (ADS)

Nazarian, Robert H.; Legg, Sonya

2017-10-01

When internal waves interact with topography, such as continental slopes, they can transfer wave energy to local dissipation and diapycnal mixing. Submarine canyons comprise approximately ten percent of global continental slopes, and can enhance the local dissipation of internal wave energy, yet parameterizations of canyon mixing processes are currently missing from large-scale ocean models. As a first step in the development of such parameterizations, we conduct a parameter space study of M2 tidal-frequency, low-mode internal waves interacting with idealized V-shaped canyon topographies. Specifically, we examine the effects of varying the canyon mouth width, shape and slope of the thalweg (line of lowest elevation). This effort is divided into two parts. In the first part, presented here, we extend the theory of 3-dimensional internal wave reflection to a rotated coordinate system aligned with our idealized V-shaped canyons. Based on the updated linear internal wave reflection solution that we derive, we construct a ray tracing algorithm which traces a large number of rays (the discrete analog of a continuous wave) into the canyon region where they can scatter off topography. Although a ray tracing approach has been employed in other studies, we have, for the first time, used ray tracing to calculate changes in wavenumber and ray density which, in turn, can be used to calculate the Froude number (a measure of the likelihood of instability). We show that for canyons of intermediate aspect ratio, large spatial envelopes of instability can form in the presence of supercritical sidewalls. Additionally, the canyon height and length can modulate the Froude number. The second part of this study, a diagnosis of internal wave scattering in continental slope canyons using both numerical simulations and this ray tracing algorithm, as well as a test of robustness of the ray tracing, is presented in the companion article.

Nuclear pore assembly proceeds by an inside-out extrusion of the nuclear envelope

PubMed Central

Otsuka, Shotaro; Bui, Khanh Huy; Schorb, Martin; Hossain, M Julius; Politi, Antonio Z; Koch, Birgit; Eltsov, Mikhail; Beck, Martin; Ellenberg, Jan

2016-01-01

The nuclear pore complex (NPC) mediates nucleocytoplasmic transport through the nuclear envelope. How the NPC assembles into this double membrane boundary has remained enigmatic. Here, we captured temporally staged assembly intermediates by correlating live cell imaging with high-resolution electron tomography and super-resolution microscopy. Intermediates were dome-shaped evaginations of the inner nuclear membrane (INM), that grew in diameter and depth until they fused with the flat outer nuclear membrane. Live and super-resolved fluorescence microscopy revealed the molecular maturation of the intermediates, which initially contained the nuclear and cytoplasmic ring component Nup107, and only later the cytoplasmic filament component Nup358. EM particle averaging showed that the evagination base was surrounded by an 8-fold rotationally symmetric ring structure from the beginning and that a growing mushroom-shaped density was continuously associated with the deforming membrane. Quantitative structural analysis revealed that interphase NPC assembly proceeds by an asymmetric inside-out extrusion of the INM. DOI: http://dx.doi.org/10.7554/eLife.19071.001 PMID:27630123

Mining of the Pyrrolamide Antibiotics Analogs in Streptomyces netropsis Reveals the Amidohydrolase-Dependent “Iterative Strategy” Underlying the Pyrrole Polymerization

PubMed Central

Deng, Zixin; Zhao, Changming; Yu, Yi

2014-01-01

In biosynthesis of natural products, potential intermediates or analogs of a particular compound in the crude extracts are commonly overlooked in routine assays due to their low concentration, limited structural information, or because of their insignificant bio-activities. This may lead into an incomplete and even an incorrect biosynthetic pathway for the target molecule. Here we applied multiple compound mining approaches, including genome scanning and precursor ion scan-directed mass spectrometry, to identify potential pyrrolamide compounds in the fermentation culture of Streptomyces netropsis. Several novel congocidine and distamycin analogs were thus detected and characterized. A more reasonable route for the biosynthesis of pyrrolamides was proposed based on the structures of these newly discovered compounds, as well as the functional characterization of several key biosynthetic genes of pyrrolamides. Collectively, our results implied an unusual “iterative strategy” underlying the pyrrole polymerization in the biosynthesis of pyrrolamide antibiotics. PMID:24901640

Synthesis of a suite of click-compatible sugar analogs for probing carbohydrate metabolism.

PubMed

Wang, Bo; McClosky, Daniel D; Anderson, Charles T; Chen, Gong

2016-10-04

Metabolic labeling based on the click chemistry between alkynyl and azido groups offers a powerful tool to study the function of carbohydrates in living systems, including plants. Herein, we describe the chemical synthesis of six alkynyl-modified sugars designed as analogs to D-glucose, D-mannose, L-rhamnose and sucrose present in plant cell walls. Among these new alkynyl probes, four of them are the 6-deoxy-alkynyl analogs of the corresponding sugars and do not possess any 6-OH groups. The other two are based on a new structural design, in which an ethynyl group is incorporated at the C-6 position of the sugar and the 6-OH group remains. The synthetic routes for both types of probes share common aldehyde intermediates, which are derived from the corresponding 6-OH precursor with other hydroxy groups protected. The overall synthesis sequence of these probes is efficient, concise, and scalable. Copyright © 2016 Elsevier Ltd. All rights reserved.

Time-dependent slowly-reversible inhibition of monoamine oxidase A by N-substituted 1,2,3,6-tetrahydropyridines.

PubMed

Wichitnithad, Wisut; O'Callaghan, James P; Miller, Diane B; Train, Brian C; Callery, Patrick S

2011-12-15

A novel class of N-substituted tetrahydropyridine derivatives was found to have multiple kinetic mechanisms of monoamine oxidase A inhibition. Eleven structurally similar tetrahydropyridine derivatives were synthesized and evaluated as inhibitors of MAO-A and MAO-B. The most potent MAO-A inhibitor in the series, 2,4-dichlorophenoxypropyl analog 12, displayed time-dependent mixed noncompetitive inhibition. The inhibition was reversed by dialysis, indicating reversible enzyme inhibition. Evidence that the slow-binding inhibition of MAO-A with 12 involves a covalent bond was gained from stabilizing a covalent reversible intermediate product by reduction with sodium borohydride. The reduced enzyme complex was not reversible by dialysis. The results are consistent with slowly reversible, mechanism-based inhibition. Two tetrahydropyridine analogs that selectively inhibited MAO-A were characterized by kinetic mechanisms differing from the kinetic mechanism of 12. As reversible inhibitors of MAO-A, tetrahydropyridine analogs are at low risk of having an adverse effect of tyramine-induced hypertension. Copyright © 2011 Elsevier Ltd. All rights reserved.

Electron doped layered nickelates: Spanning the phase diagram of the cuprates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Botana, Antia S.; Pardo, Victor; Norman, Michael R.

2017-07-01

Pr4Ni3O8 is an overdoped analog of hole-doped layered cuprates. Here we show via ab initio calculations that Ce-doped Pr4Ni3O8 (Pr3CeNi3O8) has the same electronic structure as the antiferromagnetic insulating phase of parent cuprates.We find that substantial Ce doping should be thermodynamically stable and that other 4+ cations would yield a similar antiferromagnetic insulating state, arguing this configuration is robust for layered nickelates of low-enough valence. The analogies with cuprates at different d fillings suggest that intermediate Ce-doping concentrations near 1/8 should be an appropriate place to search for superconductivity in these low-valence Ni oxides.

33 Years of Continuous Solar Radio Flux Observations

NASA Astrophysics Data System (ADS)

Monstein, Christian

2015-10-01

In 1982, after development and testing of several analog receiver concepts, I started continuous solar radio flux observations at 230 MHz. My instruments for the observations were based on cheap commercial components out of consumer TV electronics. The main components included a TV-tuner (at that time analog), intermediate frequency (IF) amplifier and video-detector taken from used TV sets. The 5.5 MHz wide video signal was fed into an integrating circuit, in fact a low pass filter, followed by dc-offset circuit and dc-amplifier built with four ua741 and CA3140 operational amplifier integrated circuits. At that time the signal was recorded with a Heathkit stripchart recorder and ink pen; an example is shown in figure 1.

Deterministic quantum nonlinear optics with single atoms and virtual photons

NASA Astrophysics Data System (ADS)

Kockum, Anton Frisk; Miranowicz, Adam; Macrı, Vincenzo; Savasta, Salvatore; Nori, Franco

2017-06-01

We show how analogs of a large number of well-known nonlinear-optics phenomena can be realized with one or more two-level atoms coupled to one or more resonator modes. Through higher-order processes, where virtual photons are created and annihilated, an effective deterministic coupling between two states of such a system can be created. In this way, analogs of three-wave mixing, four-wave mixing, higher-harmonic and -subharmonic generation (i.e., up- and down-conversion), multiphoton absorption, parametric amplification, Raman and hyper-Raman scattering, the Kerr effect, and other nonlinear processes can be realized. In contrast to most conventional implementations of nonlinear optics, these analogs can reach unit efficiency, only use a minimal number of photons (they do not require any strong external drive), and do not require more than two atomic levels. The strength of the effective coupling in our proposed setups becomes weaker the more intermediate transition steps are needed. However, given the recent experimental progress in ultrastrong light-matter coupling and improvement of coherence times for engineered quantum systems, especially in the field of circuit quantum electrodynamics, we estimate that many of these nonlinear-optics analogs can be realized with currently available technology.

Copper-catalyzed oxidative Heck reactions between alkyltrifluoroborates and vinyl arenes.

PubMed

Liwosz, Timothy W; Chemler, Sherry R

2013-06-21

We report herein that potassium alkyltrifluoroborates can be utilized in oxidative Heck-type reactions with vinyl arenes. The reaction is catalyzed by a Cu(OTf)2/1,10-phenanthroline with MnO2 as the stoichiometric oxidant. In addition to the alkyl Heck, amination, esterification, and dimerization reactions of alkyltrifluoroborates are demonstrated under analogous reaction conditions. Evidence for an alkyl radical intermediate is presented.

Nonlinear Waves.

DTIC Science & Technology

1986-05-27

purposes will be the Korteweg-deVries (KdV) equation u, 6uu, u. , =0 (1) in one spatial dimension, and the Kadomtsev - Petviashvili (KP) equation (u, - 6uu...one temporal dimen- sion: the Modified Kadomtsev - Petviashvili II (MKPII), and Davey-Stewartson I (OSII) equation . The hyperoolic analogs of (1), (2...by introducing ’Ś an intermediate version of the equations associated with (1), an infinite family of conserva- Kadomtsev - Petviashvili equation

Synthesis of a Pilot Scale Library of 4-amino-2 (diethylaminomethyl) phenol (ADOC) Analogues for Testing of Organophosphate-Inhibited Acetylcholinesterase Reactivation Ability

DTIC Science & Technology

2018-02-01

deacetylation under acidic conditions worked poorly (discussed below). We were happy to find that boc-protected phenol 5 provided access to the title compounds...intermediate 5, which we were happy to discover was easily elaborated to furnish the desired compounds. Scheme 4. Synthesis of benzylamino analogs 6a-c. 4

Assembling oppositely charged lock and key responsive colloids: A mesoscale analog of adaptive chemistry

PubMed Central

Mihut, Adriana M.; Stenqvist, Björn; Lund, Mikael; Schurtenberger, Peter; Crassous, Jérôme J.

2017-01-01

We have seen a considerable effort in colloid sciences to copy Nature’s successful strategies to fabricate complex functional structures through self-assembly. This includes attempts to design colloidal building blocks and their intermolecular interactions, such as creating the colloidal analogs of directional molecular interactions, molecular recognition, host-guest systems, and specific binding. We show that we can use oppositely charged thermoresponsive particles with complementary shapes, such as spherical and bowl-shaped particles, to implement an externally controllable lock-and-key self-assembly mechanism. The use of tunable electrostatic interactions combined with the temperature-dependent size and shape and van der Waals interactions of these building blocks provides an exquisite control over the selectivity and specificity of the interactions and self-assembly process. The dynamic nature of the mechanism allows for reversibly cycling through various structures that range from weakly structured dense liquids to well-defined molecule-shaped clusters with different configurations through variations in temperature and ionic strength. We link this complex and dynamic self-assembly behavior to the relevant molecular interactions, such as screened Coulomb and van der Waals forces and the geometrical complementarity of the two building blocks, and discuss our findings in the context of the concepts of adaptive chemistry recently introduced to molecular systems. PMID:28929133

The shape of strings to come: How topological defects twist, bend, and wrinkle filament bundles

NASA Astrophysics Data System (ADS)

Bruss, Isaac; Grason, Gregory

2015-03-01

Topological defects are crucial to the thermodynamics and structure of condensed matter systems. For instance, when incorporated into crystalline membranes like graphene, 5- and 7-fold disclinations produce conical- and saddle-like geometries respectively. A recently discovered mapping between the inter-filament spacing within a deformed bundle and the metric properties of curved surfaces, suggests previously unexplored parallels between the two, specifically in regards to how 2D patterning promotes 3D shape transitions. This discovery is poised to describe the structure of a host of filamentous materials-both biological and microfabricated-that exhibit distinctive shapes and packings. Motivated by the filamentous analogs to the conical and saddles shapes found in thin membranes, we investigate for the first time the interplay between defects in the cross section of a bundle and its global structure, using a combination of continuum elasticity theory and numerical simulation of cohesive bundles with a fixed packing topology. Focusing primarily on the instability response to disclinations, we predict a host of new equilibria structures, some of which are without direct parallel to the analogous membrane, including torsional wrinkling, radial kinking, and helical winding. Center for Hierarchical Manufacturing-CMMI 10-25020, NSF CAREER Award-DMR 09-55760, & UMass MRSEC.

Sutural loosening and skeletal flexibility during growth: determination of drop-like shapes in sea urchins.

PubMed

Johnson, Amy S; Ellers, Olaf; Lemire, Jim; Minor, Melissa; Leddy, Holly A

2002-02-07

The shape of sea urchins may be determined mechanically by patterns of force analogous to those that determine the shape of a water droplet. This mechanical analogy implies skeletal flexibility at the time of growth. Although comprised of many rigid calcite plates, sutural collagenous ligaments could confer such flexibility if the sutures between plates loosened and acted as joints at the time of growth. We present experimental evidence of such flexibility associated with weight gain and growth. Over 13-, 4-, and 2-week periods, fed urchins (Strongylocentrotus droebachiensis) gained weight and developed looser sutures than unfed urchins that maintained or lost weight. Further, skeletons of fed urchins force-relaxed more than did those of unfed urchins and urchins with loose sutures force-relaxed more than those with tight sutures. Urchins (Strongylocentrotus franciscanus) fed for two and a half weeks, gained weight, also had looser skeletons and deposited calcite at sutural margins, whereas unfed ones did not. In field populations of S. droebachiensis the percentage having loose sutures varied with urchin diameter and reflected their size-specific growth rate. The association between feeding, weight gain, calcite deposition, force relaxation and sutural looseness supports the hypothesis that urchins deform flexibly while growing, thus determining their drop-like shapes.

Functional Dissection of the Bipartite Active Site of the Class I Coenzyme A (CoA)-Transferase Succinyl-CoA:Acetate CoA-Transferase.

PubMed

Murphy, Jesse R; Mullins, Elwood A; Kappock, T Joseph

2016-01-01

Coenzyme A (CoA)-transferases catalyze the reversible transfer of CoA from acyl-CoA thioesters to free carboxylates. Class I CoA-transferases produce acylglutamyl anhydride intermediates that undergo attack by CoA thiolate on either the internal or external carbonyl carbon atoms, forming distinct tetrahedral intermediates <3 Å apart. In this study, crystal structures of succinyl-CoA:acetate CoA-transferase (AarC) from Acetobacter aceti are used to examine how the Asn347 carboxamide stabilizes the internal oxyanion intermediate. A structure of the active mutant AarC-N347A bound to CoA revealed both solvent replacement of the missing contact and displacement of the adjacent Glu294, indicating that Asn347 both polarizes and orients the essential glutamate. AarC was crystallized with the nonhydrolyzable acetyl-CoA (AcCoA) analog dethiaacetyl-CoA (1a) in an attempt to trap a closed enzyme complex containing a stable analog of the external oxyanion intermediate. One active site contained an acetylglutamyl anhydride adduct and truncated 1a, an unexpected result hinting at an unprecedented cleavage of the ketone moiety in 1a. Solution studies confirmed that 1a decomposition is accompanied by production of near-stoichiometric acetate, in a process that seems to depend on microbial contamination but not AarC. A crystal structure of AarC bound to the postulated 1a truncation product (2a) showed complete closure of one active site per dimer but no acetylglutamyl anhydride, even with acetate added. These findings suggest that an activated acetyl donor forms during 1a decomposition; a working hypothesis involving ketone oxidation is offered. The ability of 2a to induce full active site closure furthermore suggests that it subverts a system used to impede inappropriate active site closure on unacylated CoA.

Functional Dissection of the Bipartite Active Site of the Class I Coenzyme A (CoA)-Transferase Succinyl-CoA:Acetate CoA-Transferase

PubMed Central

Murphy, Jesse R.; Mullins, Elwood A.; Kappock, T. Joseph

2016-01-01

Coenzyme A (CoA)-transferases catalyze the reversible transfer of CoA from acyl-CoA thioesters to free carboxylates. Class I CoA-transferases produce acylglutamyl anhydride intermediates that undergo attack by CoA thiolate on either the internal or external carbonyl carbon atoms, forming distinct tetrahedral intermediates <3 Å apart. In this study, crystal structures of succinyl-CoA:acetate CoA-transferase (AarC) from Acetobacter aceti are used to examine how the Asn347 carboxamide stabilizes the internal oxyanion intermediate. A structure of the active mutant AarC-N347A bound to CoA revealed both solvent replacement of the missing contact and displacement of the adjacent Glu294, indicating that Asn347 both polarizes and orients the essential glutamate. AarC was crystallized with the nonhydrolyzable acetyl-CoA (AcCoA) analog dethiaacetyl-CoA (1a) in an attempt to trap a closed enzyme complex containing a stable analog of the external oxyanion intermediate. One active site contained an acetylglutamyl anhydride adduct and truncated 1a, an unexpected result hinting at an unprecedented cleavage of the ketone moiety in 1a. Solution studies confirmed that 1a decomposition is accompanied by production of near-stoichiometric acetate, in a process that seems to depend on microbial contamination but not AarC. A crystal structure of AarC bound to the postulated 1a truncation product (2a) showed complete closure of one active site per dimer but no acetylglutamyl anhydride, even with acetate added. These findings suggest that an activated acetyl donor forms during 1a decomposition; a working hypothesis involving ketone oxidation is offered. The ability of 2a to induce full active site closure furthermore suggests that it subverts a system used to impede inappropriate active site closure on unacylated CoA. PMID:27242998

Structure of Leishmania major Methionyl-tRNA Synthetase in Complex with Intermediate Products Methionyladenylate and Pyrophosphate

PubMed Central

Larson, Eric T.; Kim, Jessica E.; Zucker, Frank H.; Kelley, Angela; Mueller, Natascha; Napuli, Alberto J.; Verlinde, Christophe L.M.J.; Fan, Erkang; Buckner, Frederick S.; Van Voorhis, Wesley C.; Merritt, Ethan A.; Hol, Wim G.J.

2011-01-01

Leishmania parasites cause two million new cases of leishmaniasis each year with several hundreds of millions people at risk. Due to the paucity and shortcomings of available drugs, we have undertaken the crystal structure determination of a key enzyme from Leishmania major in hopes of creating a platform for the rational design of new therapeutics. Crystals of the catalytic core of methionyl-tRNA synthetase from L. major (LmMetRS) were obtained with the substrates MgATP and methionine present in the crystallization medium. These crystals yielded the 2.0 Å resolution structure of LmMetRS in complex with two products, methionyladenylate and pyrophosphate, along with a Mg2+ ion that bridges them. This is the first class I aminoacyl-tRNA synthetase (aaRS) structure with pyrophosphate bound. The residues of the class I aaRS signature sequence motifs, KISKS and HIGH, make numerous contacts with the pyrophosphate. Substantial differences between the LmMetRS structure and previously reported complexes of E. coli MetRS (EcMetRS) with analogs of the methionyladenylate intermediate product are observed, even though one of these analogs only differs by one atom from the intermediate. The source of these structural differences is attributed to the presence of the product pyrophosphate in LmMetRS. Analysis of the LmMetRS structure in light of the Aquifex aeolicus MetRS-tRNAMet complex shows that major rearrangements of multiple structural elements of enzyme and/or tRNA are required to allow the CCA acceptor triplet to reach the methionyladenylate intermediate in the active site. Comparison with sequences of human cytosolic and mitochondrial MetRS reveals interesting differences near the ATP- and methionine-binding regions of LmMetRS, suggesting that it should be possible to obtain compounds that selectively inhibit the parasite enzyme. PMID:21144880

Functional dissection of the bipartite active site of the class I coenzyme A (CoA)-transferase succinyl-CoA:acetate CoA-transferase

DOE PAGES

Murphy, Jesse R.; Mullins, Elwood A.; Kappock, T. Joseph

2016-05-23

Coenzyme A (CoA)-transferases catalyze the reversible transfer of CoA from acyl-CoA thioesters to free carboxylates. Class I CoA-transferases produce acylglutamyl anhydride intermediates that undergo attack by CoA thiolate on either the internal or external carbonyl carbon atoms, forming distinct tetrahedral intermediates <3 Å apart. Here in this study, crystal structures of succinyl-CoA:acetate CoA-transferase (AarC) from Acetobacter aceti are used to examine how the Asn347 carboxamide stabilizes the internal oxyanion intermediate. A structure of the active mutant AarC-N347A bound to CoA revealed both solvent replacement of the missing contact and displacement of the adjacent Glu294, indicating that Asn347 both polarizes andmore » orients the essential glutamate. AarC was crystallized with the nonhydrolyzable acetyl-CoA (AcCoA) analog dethiaacetyl-CoA (1a) in an attempt to trap a closed enzyme complex containing a stable analog of the external oxyanion intermediate. One active site contained an acetylglutamyl anhydride adduct and truncated 1a, an unexpected result hinting at an unprecedented cleavage of the ketone moiety in 1a. Solution studies confirmed that 1a decomposition is accompanied by production of near-stoichiometric acetate, in a process that seems to depend on microbial contamination but not AarC. A crystal structure of AarC bound to the postulated 1a truncation product (2a) showed complete closure of one active site per dimer but no acetylglutamyl anhydride, even with acetate added. These findings suggest that an activated acetyl donor forms during 1a decomposition; a working hypothesis involving ketone oxidation is offered. Finally, the ability of 2a to induce full active site closure furthermore suggests that it subverts a system used to impede inappropriate active site closure on unacylated CoA.« less

U-shaped Relation between Prestimulus Alpha-band and Poststimulus Gamma-band Power in Temporal Tactile Perception in the Human Somatosensory Cortex.

PubMed

Wittenberg, Marc André; Baumgarten, Thomas J; Schnitzler, Alfons; Lange, Joachim

2018-04-01

Neuronal oscillations are a ubiquitous phenomenon in the human nervous system. Alpha-band oscillations (8-12 Hz) have been shown to correlate negatively with attention and performance, whereas gamma-band oscillations (40-150 Hz) correlate positively. Here, we studied the relation between prestimulus alpha-band power and poststimulus gamma-band power in a suprathreshold tactile discrimination task. Participants received two electrical stimuli to their left index finger with different SOAs (0 msec, 100 msec, intermediate SOA, intermediate SOA ± 10 msec). The intermediate SOA was individually determined so that stimulation was bistable, and participants perceived one stimulus in half of the trials and two stimuli in the other half. We measured neuronal activity with magnetoencephalography (MEG). In trials with intermediate SOAs, behavioral performance correlated inversely with prestimulus alpha-band power but did not correlate with poststimulus gamma-band power. Poststimulus gamma-band power was high in trials with low and high prestimulus alpha-band power and low for intermediate prestimulus alpha-band power (i.e., U-shaped). We suggest that prestimulus alpha activity modulates poststimulus gamma activity and subsequent perception: (1) low prestimulus alpha-band power leads to high poststimulus gamma-band power, biasing perception such that two stimuli were perceived; (2) intermediate prestimulus alpha-band power leads to low gamma-band power (interpreted as inefficient stimulus processing), consequently, perception was not biased in either direction; and (3) high prestimulus alpha-band power leads to high poststimulus gamma-band power, biasing perception such that only one stimulus was perceived.

Flexible, reconfigurable, power efficient transmitter and method

NASA Technical Reports Server (NTRS)

Bishop, James W. (Inventor); Zaki, Nazrul H. Mohd (Inventor); Newman, David Childress (Inventor); Bundick, Steven N. (Inventor)

2011-01-01

A flexible, reconfigurable, power efficient transmitter device and method is provided. In one embodiment, the method includes receiving outbound data and determining a mode of operation. When operating in a first mode the method may include modulation mapping the outbound data according a modulation scheme to provide first modulation mapped digital data, converting the first modulation mapped digital data to an analog signal that comprises an intermediate frequency (IF) analog signal, upconverting the IF analog signal to produce a first modulated radio frequency (RF) signal based on a local oscillator signal, amplifying the first RF modulated signal to produce a first RF output signal, and outputting the first RF output signal via an isolator. In a second mode of operation method may include modulation mapping the outbound data according a modulation scheme to provide second modulation mapped digital data, converting the second modulation mapped digital data to a first digital baseband signal, conditioning the first digital baseband signal to provide a first analog baseband signal, modulating one or more carriers with the first analog baseband signal to produce a second modulated RF signal based on a local oscillator signal, amplifying the second RF modulated signal to produce a second RF output signal, and outputting the second RF output signal via the isolator. The digital baseband signal may comprise an in-phase (I) digital baseband signal and a quadrature (Q) baseband signal.

The Forest, the Trees, and the Leaves: Differences of Processing across Development

ERIC Educational Resources Information Center

Krakowski, Claire-Sara; Poirel, Nicolas; Vidal, Julie; Roëll, Margot; Pineau, Arlette; Borst, Grégoire; Houdé, Olivier

2016-01-01

To act and think, children and adults are continually required to ignore irrelevant visual information to focus on task-relevant items. As real-world visual information is organized into structures, we designed a feature visual search task containing 3-level hierarchical stimuli (i.e., local shapes that constituted intermediate shapes that formed…

Shape analysis of H II regions - I. Statistical clustering

NASA Astrophysics Data System (ADS)

Campbell-White, Justyn; Froebrich, Dirk; Kume, Alfred

2018-07-01

We present here our shape analysis method for a sample of 76 Galactic H II regions from MAGPIS 1.4 GHz data. The main goal is to determine whether physical properties and initial conditions of massive star cluster formation are linked to the shape of the regions. We outline a systematic procedure for extracting region shapes and perform hierarchical clustering on the shape data. We identified six groups that categorize H II regions by common morphologies. We confirmed the validity of these groupings by bootstrap re-sampling and the ordinance technique multidimensional scaling. We then investigated associations between physical parameters and the assigned groups. Location is mostly independent of group, with a small preference for regions of similar longitudes to share common morphologies. The shapes are homogeneously distributed across Galactocentric distance and latitude. One group contains regions that are all younger than 0.5 Myr and ionized by low- to intermediate-mass sources. Those in another group are all driven by intermediate- to high-mass sources. One group was distinctly separated from the other five and contained regions at the surface brightness detection limit for the survey. We find that our hierarchical procedure is most sensitive to the spatial sampling resolution used, which is determined for each region from its distance. We discuss how these errors can be further quantified and reduced in future work by utilizing synthetic observations from numerical simulations of H II regions. We also outline how this shape analysis has further applications to other diffuse astronomical objects.

Shape Analysis of HII Regions - I. Statistical Clustering

NASA Astrophysics Data System (ADS)

Campbell-White, Justyn; Froebrich, Dirk; Kume, Alfred

2018-04-01

We present here our shape analysis method for a sample of 76 Galactic HII regions from MAGPIS 1.4 GHz data. The main goal is to determine whether physical properties and initial conditions of massive star cluster formation is linked to the shape of the regions. We outline a systematic procedure for extracting region shapes and perform hierarchical clustering on the shape data. We identified six groups that categorise HII regions by common morphologies. We confirmed the validity of these groupings by bootstrap re-sampling and the ordinance technique multidimensional scaling. We then investigated associations between physical parameters and the assigned groups. Location is mostly independent of group, with a small preference for regions of similar longitudes to share common morphologies. The shapes are homogeneously distributed across Galactocentric distance and latitude. One group contains regions that are all younger than 0.5 Myr and ionised by low- to intermediate-mass sources. Those in another group are all driven by intermediate- to high-mass sources. One group was distinctly separated from the other five and contained regions at the surface brightness detection limit for the survey. We find that our hierarchical procedure is most sensitive to the spatial sampling resolution used, which is determined for each region from its distance. We discuss how these errors can be further quantified and reduced in future work by utilising synthetic observations from numerical simulations of HII regions. We also outline how this shape analysis has further applications to other diffuse astronomical objects.

Multifunctional Logic Gate Controlled by Supply Voltage

NASA Technical Reports Server (NTRS)

Stoica, Adrian; Zebulum, Ricardo

2005-01-01

A complementary metal oxide/semiconductor (CMOS) electronic circuit functions as a NAND gate at a power-supply potential (V(sub dd)) of 3.3 V and as NOR gate for V(sub dd) = 1.8 V. In the intermediate V(sub dd) range of 1.8 to 3.3 V, this circuit performs a function intermediate between NAND and NOR with degraded noise margin. Like the circuit of the immediately preceding article, this circuit serves as a demonstration of the evolutionary approach to design of polymorphic electronics -- a technological discipline that emphasizes evolution of the design of a circuit to perform different analog and/or digital functions under different conditions. In this instance, the different conditions are different values of V(sub dd).

Adaptive Hybrid Picture Coding. Volume 2.

DTIC Science & Technology

1985-02-01

ooo5 V.a Measurement Vector ..eho..............57 V.b Size Variable o .entroi* Vector .......... .- 59 V * c Shape Vector .Ř 0-60o oe 6 I V~d...the Program for the Adaptive Line of Sight Method .i.. 18.. o ... .... .... 1 B Details of the Feature Vector FormationProgram .. o ...oo..-....- .122 C ...shape recognition is analogous to recognition of curves in space. Therefore, well known concepts and theorems from differential geometry can be 34 . o

Studying Transonic Gases With a Hydraulic Analog

NASA Technical Reports Server (NTRS)

Wagner, W.; Lepore, F.

1986-01-01

Water table for hydraulic-flow research yields valuable information about gas flow at transonic speeds. Used to study fuel and oxidizer flow in high-pressure rocket engines. Method applied to gas flows in such equipment as furnaces, nozzles, and chemical lasers. Especially suitable when wall contours nonuniform, discontinuous, or unusually shaped. Wall shapes changed quickly for study and evaluated on spot. Method used instead of computer simulation when computer models unavailable, inaccurate, or costly to run.

Report of the Defense Science Board Task Force on Nuclear Deterrence Skills

DTIC Science & Technology

2008-09-01

entail modeling and simulation capability analogous to that for weapon design. A minimum “national” nuclear weapons effects simulator enterprise...systems programs (design, develop, produce, deploy, and sustain) relies 18 I C HA P TE R 3 upon a variety of management models . For example, the Air...entry vehicle design, modeling and simulation efforts, command and control, launch system infrastructure, intermediate-range missile concepts, advanced

Matter-antimatter Cosmology

NASA Technical Reports Server (NTRS)

Omnes, R.

1973-01-01

The possible existence of antimatter on a large scale in the universe is evaluated. As a starting point, an attempt was made to understand the origin of matter as being essentially analogous to the origin of backgound thermal radiation. Several theories and models are examined, with particular emphasis on nucleon-antinucleon interactions at intermediate energies. Data also cover annihilation interaction with the matter-antimatter boundary to produce the essential fluid motion known as coalesence.

Structural and functional characterization of Mycobacterium tuberculosis triosephosphate isomerase

DOE Office of Scientific and Technical Information (OSTI.GOV)

Connor, Sean E.; Capodagli, Glenn C.; Deaton, Michelle K.

Tuberculosis (TB) is a major infectious disease that accounts for over 1.7 million deaths every year. Mycobacterium tuberculosis, the causative agent of tuberculosis, enters the human host by the inhalation of infectious aerosols. Additionally, one third of the world's population is likely to be infected with latent TB. The incidence of TB is on the rise owing in part to the emergence of multidrug-resistant strains. As a result, there is a growing need to focus on novel M. tuberculosis enzyme targets. M. tuberculosis triosephosphate isomerase (MtTPI) is an essential enzyme for gluconeogenetic pathways, making it a potential target for futuremore » therapeutics. In order to determine its structure, the X-ray crystal structure of MtTPI has been determined, as well as that of MtTPI bound with a reaction-intermediate analog. As a result, two forms of the active site were revealed. In conjunction with the kinetic parameters obtained for the MtTPI-facilitated conversion of dihydroxyacetone phosphate (DHAP) to D-glyceraldehyde-3-phosphate (D-GAP), this provides a greater structural and biochemical understanding of this enzyme. Additionally, isothermal titration calorimetry was used to determine the binding constant for a reaction-intermediate analog bound to the active site of MtTPI.« less

In silico search for functionally similar proteins involved in meiosis and recombination in evolutionarily distant organisms.

PubMed

Bogdanov, Yuri F; Dadashev, Sergei Y; Grishaeva, Tatiana M

2003-01-01

Evolutionarily distant organisms have not only orthologs, but also nonhomologous proteins that build functionally similar subcellular structures. For instance, this is true with protein components of the synaptonemal complex (SC), a universal ultrastructure that ensures the successful pairing and recombination of homologous chromosomes during meiosis. We aimed at developing a method to search databases for genes that code for such nonhomologous but functionally analogous proteins. Advantage was taken of the ultrastructural parameters of SC and the conformation of SC proteins responsible for these. Proteins involved in SC central space are known to be similar in secondary structure. Using published data, we found a highly significant correlation between the width of the SC central space and the length of rod-shaped central domain of mammalian and yeast intermediate proteins forming transversal filaments in the SC central space. Basing on this, we suggested a method for searching genome databases of distant organisms for genes whose virtual proteins meet the above correlation requirement. Our recent finding of the Drosophila melanogaster CG17604 gene coding for synaptonemal complex transversal filament protein received experimental support from another lab. With the same strategy, we showed that the Arabidopsis thaliana and Caenorhabditis elegans genomes contain unique genes coding for such proteins.

A novel type of ATP block on a Ca(2+)-activated K(+) channel from bullfrog erythrocytes.

PubMed

Shindo, M; Imai, Y; Sohma, Y

2000-07-01

Using the patch-clamp technique, we have identified an intermediate conductance Ca(2+)-activated K(+) channel from bullfrog (Rana catesbeiana) erythrocytes and have investigated the regulation of channel activity by cytosolic ATP. The channel was highly selective for K(+) over Na(+), gave a linear I-V relationship with symmetrical 117.5 mM K(+) solutions and had a single-channel conductance of 60 pS. Channel activity was dependent on Ca(2+) concentration (K(1/2) = 600 nM) but voltage-independent. These basic characteristics are similar to those of human and frog erythrocyte Ca(2+)-activated K(+) (Gardos) channels previously reported. However, cytoplasmic application of ATP reduced channel activity with block exhibiting a novel bell-shaped concentration dependence. The channel was inhibited most by approximately 10 microM ATP (P(0) reduced to 5% of control) but less blocked by lower and higher concentrations of ATP. Moreover, the novel type of ATP block did not require Mg(2+), was independent of PKA or PKC, and was mimicked by a nonhydrolyzable ATP analog, AMP-PNP. This suggests that ATP exerts its effect by direct binding to sites on the channel or associated regulatory proteins, but not by phosphorylation of either of these components.

Mass production of shaped particles through vortex ring freezing

PubMed Central

An, Duo; Warning, Alex; Yancey, Kenneth G.; Chang, Chun-Ti; Kern, Vanessa R.; Datta, Ashim K.; Steen, Paul H.; Luo, Dan; Ma, Minglin

2016-01-01

A vortex ring is a torus-shaped fluidic vortex. During its formation, the fluid experiences a rich variety of intriguing geometrical intermediates from spherical to toroidal. Here we show that these constantly changing intermediates can be ‘frozen' at controlled time points into particles with various unusual and unprecedented shapes. These novel vortex ring-derived particles, are mass-produced by employing a simple and inexpensive electrospraying technique, with their sizes well controlled from hundreds of microns to millimetres. Guided further by theoretical analyses and a laminar multiphase fluid flow simulation, we show that this freezing approach is applicable to a broad range of materials from organic polysaccharides to inorganic nanoparticles. We demonstrate the unique advantages of these vortex ring-derived particles in several applications including cell encapsulation, three-dimensional cell culture, and cell-free protein production. Moreover, compartmentalization and ordered-structures composed of these novel particles are all achieved, creating opportunities to engineer more sophisticated hierarchical materials. PMID:27488831

Hybrid ECG signal conditioner

NASA Technical Reports Server (NTRS)

Rinard, G. A.; Steffen, D. A.; Sturm, R. E.

1979-01-01

Circuit with high common-mode rejection has ability to filter and amplify accepted analog electrocardiogram (ECG) signals of varying amplitude, shape, and polarity. In addition, low power circuit develops standardized pulses that can be counted and averaged by heart/breath rate processor.

On Machine Capacitance Dimensional and Surface Profile Measurement System

NASA Technical Reports Server (NTRS)

Resnick, Ralph

1993-01-01

A program was awarded under the Air Force Machine Tool Sensor Improvements Program Research and Development Announcement to develop and demonstrate the use of a Capacitance Sensor System including Capacitive Non-Contact Analog Probe and a Capacitive Array Dimensional Measurement System to check the dimensions of complex shapes and contours on a machine tool or in an automated inspection cell. The manufacturing of complex shapes and contours and the subsequent verification of those manufactured shapes is fundamental and widespread throughout industry. The critical profile of a gear tooth; the overall shape of a graphite EDM electrode; the contour of a turbine blade in a jet engine; and countless other components in varied applications possess complex shapes that require detailed and complex inspection procedures. Current inspection methods for complex shapes and contours are expensive, time-consuming, and labor intensive.

In situ measurements of thunderstorm electrical properties

NASA Technical Reports Server (NTRS)

Marshall, T. C.

1982-01-01

An airplane sensor to measure the charge, size and two dimensional shape of precipitation particles and large cloud particles was developed. The basic design of the instrument includes: the transducers and analog electronics, the analog to digital conversion electronics and a microprocessor based system to run the electronics and load the digital data onto magnetic tape. Prototype instrumentation for the proposed lightning mapper satellite was tested by flying it in a U-2 aircraft over severe storms in Oklahoma. Flight data are compared to data from ground based instruments.

Shape transformation of bimetallic Au–Pd core–shell nanocubes to multilayered Au–Pd–Au core–shell hexagonal platelets

DOE PAGES

Bhattarai, Nabraj; Prozorov, Tanya

2015-11-05

Transformation of metallic or bimetallic (BM) nanoparticles (NPs) from one shape to another desired shape is of importance to nanoscience and nanotechnology, where new morphologies of NPs lead to enhancement of their exploitable properties. In this report, we present the shape transformation of Au octahedral NPs to Au–Pd core–shell nanocubes, followed by their transformation to nanostars and finally to multilayered Au–Pd–Au core–shell hexagonal platelets in the presence of T30 DNA. The weaker binding affinity of T30 DNA directs the growth to favor the formation of lower energy {111} facets, changing the morphology from nanocubes to nanostar. The nanostars, exhibiting unusualmore » intermediate morphologies, are comprised two sets of shell layers and have Au core, Pd intermediate shell, and Au outer shell. Similarly, the hexagonal platelets, which also have Au core and inner Pd shell, are encased in an external gold shell. As a result, the formation of multilayered Au–Pd–Au core–shell hexagonal platelets from Au–Pd core–shell nanocubes via the multilayered nanostars is monitored using scanning/transmission electron microscopy analysis.« less

Shape transformation of bimetallic Au–Pd core–shell nanocubes to multilayered Au–Pd–Au core–shell hexagonal platelets

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bhattarai, Nabraj; Prozorov, Tanya

Transformation of metallic or bimetallic (BM) nanoparticles (NPs) from one shape to another desired shape is of importance to nanoscience and nanotechnology, where new morphologies of NPs lead to enhancement of their exploitable properties. In this report, we present the shape transformation of Au octahedral NPs to Au–Pd core–shell nanocubes, followed by their transformation to nanostars and finally to multilayered Au–Pd–Au core–shell hexagonal platelets in the presence of T30 DNA. The weaker binding affinity of T30 DNA directs the growth to favor the formation of lower energy {111} facets, changing the morphology from nanocubes to nanostar. The nanostars, exhibiting unusualmore » intermediate morphologies, are comprised two sets of shell layers and have Au core, Pd intermediate shell, and Au outer shell. Similarly, the hexagonal platelets, which also have Au core and inner Pd shell, are encased in an external gold shell. As a result, the formation of multilayered Au–Pd–Au core–shell hexagonal platelets from Au–Pd core–shell nanocubes via the multilayered nanostars is monitored using scanning/transmission electron microscopy analysis.« less

Indentation tectonics in northern Taiwan: insights from field observations and analog models

NASA Astrophysics Data System (ADS)

Lu, Chia-Yu; Lee, Jian-Cheng; Malavieille, Jacques

2017-04-01

In northern Taiwan, contraction, extension, transcurrent shearing, and block rotation are four major tectonic deformation mechanisms involved in the progressive deformation of this arcuate mountain belt. The recent evolution of the orogen is controlled not only by the oblique convergence between the Eurasian plate and the Philippine Sea plate but also by the corner shape of the plate boundary. Based on field observations, analyses, geophysical data (mostly GPS) and results of experimental models, we interpret the curved shape of northern Taiwan as a result of contractional deformation (involving imbricate thrusting and folding, backthrusting and backfolding). The subsequent horizontal and vertical extrusion, combined with increasing transcurrent & rotational deformation (bookshelf-type strike-slip faulting and block rotation) induced transcurrent/ rotational extrusion and extrusion related extensional deformation. A special type of extrusional folds characterizes that complex deformation regime. The tectonics in northern Taiwan reflects a single, regional pattern of deformation. The crescent-shaped mountain belt develops in response to oblique indentation by an asymmetric wedge indenter, retreat of Ryukyu trench and opening of the Okinawa trough. Three sets of analog sandbox models are presented to illustrate the development of tectonic structures and their kinematic evolution

Rotating Saddle Paul Trap.

ERIC Educational Resources Information Center

Rueckner, Wolfgang; And Others

1995-01-01

Describes a demonstration in which a ball is placed in an unstable position on a saddle shape. The ball becomes stable when it is rotated above some threshold angular velocity. The demonstration is a mechanical analog of confining a particle in a "Paul Trap". (DDR)

Water levels shape fishing participation in flood-control reservoirs

USGS Publications Warehouse

Miranda, Leandro E.; Meals, K. O.

2013-01-01

We examined the relationship between fishing effort (hours fished) and average March–May water level in 3 flood control reservoirs in Mississippi. Fishing effort increased as water level rose, peaked at intermediate water levels, and decreased at high water levels. We suggest that the observed arched-shaped relationship is driven by the shifting influence of fishability (adequacy of the fishing circumstances from an angler's perspective) and catch rate along a water level continuum. Fishability reduces fishing effort during low water, despite the potential for higher catch rates. Conversely, reduced catch rates and fishability at high water also curtail effort. Thus, both high and low water levels seem to discourage fishing effort, whereas anglers seem to favor intermediate water levels. Our results have implications for water level management in reservoirs with large water level fluctuations.

The initial characterization of a revised 10-Gsps analog-to-digital converter board for radio telescopes

NASA Astrophysics Data System (ADS)

Jiango, Homin; Liuo, Howard; Guzzino, Kim

2016-07-01

In this study, the design of a 4 bit, 10-gigasamples-per-second analog-to-digital converter (ADC) printed circuit board assembly (PCBA) was revised, manufactured, and tested. It is used for digitizing radio telescopes. An Adsantec ANST7120-KMA flash ADC chip was used, as in the original design. Associated with the field-programmable gate array platform developed by the Collaboration for Astronomy Signal Processing and Electronics Research community, the developed PCBA provides data acquisition systems with a wider bandwidth and simplifies the intermediate frequency section. The current version of the PCBA exhibits an analog bandwidth of up to 10 GHz (3 dB loss), and the chip exhibits an analog bandwidth of up to 18 GHz. This facilitates second and third Nyquist sampling. The following worstcase performance parameters were obtained from the revised PCBA at over 5 GHz: spurious-free dynamic range of 12 dB, signal-to-noise and distortion ratio of 2 dB, and effective number of bits of 0.7. The design bugs in the ADC chip caused the poor performance. The vendor created a new batch run and confirmed that the ADC chips of the new batch will meet the specifications addressed in its data sheet.

SU-F-T-394: Impact of PTV Margins With Taking Into Account Shape Variation On IMRT Plans For Prostate Cancer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hirose, T; Arimura, H; Oga, S

2016-06-15

Purpose: The purpose of this study was to investigate the impact of planning target volume (PTV) margins with taking into consideration clinical target volume (CTV) shape variations on treatment plans of intensity modulated radiation therapy (IMRT) for prostate cancer. Methods: The systematic errors and the random errors for patient setup errors in right-left (RL), anterior-posterior (AP), and superior-inferior (SI) directions were obtained from data of 20 patients, and those for CTV shape variations were calculated from 10 patients, who were weekly scanned using cone beam computed tomography (CBCT). The setup error was defined as the difference in prostate centers betweenmore » planning CT and CBCT images after bone-based registrations. CTV shape variations of high, intermediate and low risk CTVs were calculated for each patient from variances of interfractional shape variations on each vertex of three-dimensional CTV point distributions, which were manually obtained from CTV contours on the CBCT images. PTV margins were calculated using the setup errors with and without CTV shape variations for each risk CTV. Six treatment plans were retrospectively made by using the PTV margins with and without CTV shape variations for the three risk CTVs of 5 test patients. Furthermore, the treatment plans were applied to CBCT images for investigating the impact of shape variations on PTV margins. Results: The percentages of population to cover with the PTV, which satisfies the CTV D98 of 95%, with and without the shape variations were 89.7% and 74.4% for high risk, 89.7% and 76.9% for intermediate risk, 84.6% and 76.9% for low risk, respectively. Conclusion: PTV margins taking into account CTV shape variation provide significant improvement of applicable percentage of population (P < 0.05). This study suggested that CTV shape variation should be taken consideration into determination of the PTV margins.« less

Impact Analysis of Flow Shaping in Ethernet-AVB/TSN and AFDX from Network Calculus and Simulation Perspective

PubMed Central

He, Feng; Zhao, Lin; Li, Ershuai

2017-01-01

Ethernet-AVB/TSN (Audio Video Bridging/Time-Sensitive Networking) and AFDX (Avionics Full DupleX switched Ethernet) are switched Ethernet technologies, which are both candidates for real-time communication in the context of transportation systems. AFDX implements a fixed priority scheduling strategy with two priority levels. Ethernet-AVB/TSN supports a similar fixed priority scheduling with an additional Credit-Based Shaper (CBS) mechanism. Besides, TSN can support time-triggered scheduling strategy. One direct effect of CBS mechanism is to increase the delay of its flows while decreasing the delay of other priority ones. The former effect can be seen as the shaping restriction and the latter effect can be seen as the shaping benefit from CBS. The goal of this paper is to investigate the impact of CBS on different priority flows, especially on the intermediate priority ones, as well as the effect of CBS bandwidth allocation. It is based on a performance comparison of AVB/TSN and AFDX by simulation in an automotive case study. Furthermore, the shaping benefit is modeled based on integral operation from network calculus perspective. Combing with the analysis of shaping restriction and shaping benefit, some configuration suggestions on the setting of CBS bandwidth are given. Results show that the effect of CBS depends on flow loads and CBS configurations. A larger load of high priority flows in AVB tends to a better performance for the intermediate priority flows when compared with AFDX. Shaping benefit can be explained and calculated according to the changing from the permitted maximum burst. PMID:28531158

Radar echo processing with partitioned de-ramp

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dubbert, Dale F.; Tise, Bertice L.

2013-03-19

The spurious-free dynamic range of a wideband radar system is increased by apportioning de-ramp processing across analog and digital processing domains. A chirp rate offset is applied between the received waveform and the reference waveform that is used for downconversion to the intermediate frequency (IF) range. The chirp rate offset results in a residual chirp in the IF signal prior to digitization. After digitization, the residual IF chirp is removed with digital signal processing.

A spectroscopic investigation of the Schiff base reprotonation mechanism of bacteriorhodopsin

NASA Astrophysics Data System (ADS)

Russell, Terence Stephen

This thesis reports time-resolved visible spectroscopy experiments performed on the light-driven proton pumping protein, bacteriorhodopsin (bR), and a number of artificially produced analogs. These analogs comprise a variety of single and double amino acid substitutions produced in several of the residues previously implicated in proton transport in bR. Also addressed are the results of resonance Raman and FTIR difference spectroscopy which provide information about the vibrational modes of the protein. The results from these experiments confirm aspects of both structural and functional models of bR based on previous electron diffraction and spectroscopic data. During a phase of the proton pumping photocycle in bR known as Schiff base reprotonation (also referred to as M intermediate decay), a proton is transferred over a 12 A distance from a proton donor residue (Asp-96) to the light-absorbing active site. The behavior of the M intermediate was monitored by time-resolved visible spectroscopy. In the single substitution known as D96N, the Asp-96 residue was replaced with a less efficient proton donor, asparagine. This mutant exhibited an M intermediate which decayed slowly in comparison to that of wild-type bR. However, this effect was reversed with the double substitution, T46D/D96N. This result indicates that the proton donor group can be moved to another nearby location and still yield a system functionally similar to the native protein. Replacement of the donor group with a histidine, His-96, resulted in a photocycle similar to D96N above pH 7. However, below this pH, the M intermediate is not detected. FTIR difference spectroscopy indicates that the protonation state of the substituted His-96 residue influences the structure of the active site of bR which suggests that a proton that is associated with His-96 may move towards the active site and thereby block M intermediate formation. Finally, the residue Thr-89 was replaced with an asparagine. This substitution altered not only the vibrational modes of the protein but also its visible absorption, which indicates that Thr-89 interacts directly with the active site of bR. These results are used to correct and extend an overall molecular model of the proton transport mechanism in bacteriorhodopsin.

Detecting peptidic drugs, drug candidates and analogs in sports doping: current status and future directions.

PubMed

Thevis, Mario; Thomas, Andreas; Schänzer, Wilhelm

2014-12-01

With the growing availability of mature systems and strategies in biotechnology and the continuously expanding knowledge of cellular processes and involved biomolecules, human sports drug testing has become a considerably complex field in the arena of analytical chemistry. Proving the exogenous origin of peptidic drugs and respective analogs at lowest concentration levels in biological specimens (commonly blood, serum and urine) of rather limited volume is required to pursue an action against cheating athletes. Therefore, approaches employing chromatographic-mass spectrometric, electrophoretic, immunological and combined test methods have been required and developed. These allow detecting the misuse of peptidic compounds of lower (such as growth hormone-releasing peptides, ARA-290, TB-500, AOD-9604, CJC-1295, desmopressin, luteinizing hormone-releasing hormones, synacthen, etc.), intermediate (e.g., insulins, IGF-1 and analogs, 'full-length' mechano growth factor, growth hormone, chorionic gonadotropin, erythropoietin, etc.) and higher (e.g., stamulumab) molecular mass with desired specificity and sensitivity. A gap between the technically possible detection and the day-to-day analytical practice, however, still needs to be closed.

A Low-cost 4 Bit, 10 Giga-samples-per-second Analog-to-digital Converter Printed Circuit Board Assembly for FPGA-based Backends

NASA Astrophysics Data System (ADS)

Jiang, Homin; Yu, Chen-Yu; Kubo, Derek; Chen, Ming-Tang; Guzzino, Kim

2016-11-01

In this study, a 4 bit, 10 giga-samples-per-second analog-to-digital converter (ADC) printed circuit board assembly (PCBA) was designed, manufactured, and characterized for digitizing radio telescopes. For this purpose, an Adsantec ANST7120A-KMA flash ADC chip was used. Together with the field-programmable gate array platform, developed by the Collaboration for Astronomy Signal Processing and Electronics Research community, the PCBA enables data acquisition with a wide bandwidth and simplifies the intermediate frequency section. In the current version, the PCBA and the chip exhibit an analog bandwidth of 10 GHz (3 dB loss) and 20 GHz, respectively, which facilitates second, third, and even fourth Nyquist sampling. The following average performance parameters were obtained from the first and second Nyquist zones of the three boards: a spurious-free dynamic range of 31.35/30.45 dB, a signal-to-noise and distortion ratio of 22.95/21.83 dB, and an effective number of bits of 3.65/3.43, respectively.

Scaling Laws for Shapes of Food Fragments by Human Mastication

NASA Astrophysics Data System (ADS)

Kobayashi, Naoki; Kohyama, Kaoru; Sasaki, Yo; Matsushita, Mitsugu

2007-04-01

Scaling property of the shape of fragments which were produced by masticating raw carrots has been studied experimentally and theoretically. Mastication experiments showed that most fragments have more or less isotropic shapes which are independent of the number of chewing strokes, whereas larger fragments than a crossover size have complicated shapes. Since the crossover size had the structure which was dependent on the number of chewing strokes, we have tried to propose dynamic scaling hypothesis analogous to the case of growing self-affine interface. It was found that the dynamic scaling yields fairly accurate values of the scaling exponents. Our results will provide a new observation and insight of not only sequential fragmentation but also construction for physiological measurement.

A model for the origin of high-energy cosmic rays

NASA Technical Reports Server (NTRS)

Jokipii, J. R.; Morfill, G. E.

1985-01-01

It is suggested that cosmic rays, up to the highest energies observed, originate in the Galaxy and are accelerated in astrophysical shock waves. If there is a galactic wind, in analogy with the solar wind, a hierarchy of shocks ranging from supernova shocks to the galactic wind termination shock is expected. This leads to a consistent model in which most cosmic rays, up to perhaps 10 to the 14th eV energy, are accelerated by supernova shocks, but that particles with energies of 10 to the 15th eV and higher are accelerated at the termination shock of the galactic wind. Intermediate energies may be accelerated by intermediate-scale shocks, and there may be larger scale shocks associated with the Local Group of galaxies.

Context-dependent planktivory: interacting effects of turbidity and predation risk on adaptive foraging

USGS Publications Warehouse

Pangle, Kevin L.; Malinich, Timothy D.; Bunnell, David B.; DeVries, Dennis R.; Ludsin, Stuart A.

2012-01-01

By shaping species interactions, adaptive phenotypic plasticity can profoundly influence ecosystems. Predicting such outcomes has proven difficult, however, owing in part to the dependence of plasticity on the environmental context. Of particular relevance are environmental factors that affect sensory performance in organisms in ways that alter the tradeoffs associated with adaptive phenotypic responses. We explored the influence of turbidity, which simultaneously and differentially affects the sensory performance of consumers at multiple trophic levels, on the indirect effect of a top predator (piscivorous fish) on a basal prey resource (zooplankton) that is mediated through changes in the plastic foraging behavior of an intermediate consumer (zooplanktivorous fish). We first generated theoretical predictions of the adaptive foraging response of a zooplanktivore across wide gradients of turbidity and predation risk by a piscivore. Our model predicted that predation risk can change the negative relationship between intermediate consumer foraging and turbidity into a humped-shaped (unimodal) one in which foraging is low in both clear and highly turbid conditions due to foraging-related risk and visual constraints, respectively. Consequently, the positive trait-mediated indirect effect (TMIE) of the top predator on the basal resource is predicted to peak at low turbidity and decline thereafter until it reaches an asymptote of zero at intermediate turbidity levels (when foraging equals that which is predicted when the top predator is absent). We used field observations and a laboratory experiment to test our model predictions. In support, we found humped-shaped relationships between planktivory and turbidity for several zooplanktivorous fishes from diverse freshwater ecosystems with predation risk. Further, our experiment demonstrated that predation risk reduced zooplanktivory by yellow perch (Perca flavescens) at a low turbidity, but had no effect on consumption at an intermediate turbidity. Together, our theoretical and empirical findings show how the environmental context can govern the strength of TMIEs by influencing consumer sensory performance and how these effects can become realized in nature over wide environmental gradients. Additionally, our hump-shaped foraging curve represents an important departure from the conventional view of turbidity's effect on planktivorous fishes, thus potentially requiring a reconceptualization of turbidity's impact on aquatic food-web interactions.

Optimal Filling of Shapes

NASA Astrophysics Data System (ADS)

Phillips, Carolyn L.; Anderson, Joshua A.; Huber, Greg; Glotzer, Sharon C.

2012-05-01

We present filling as a type of spatial subdivision problem similar to covering and packing. Filling addresses the optimal placement of overlapping objects lying entirely inside an arbitrary shape so as to cover the most interior volume. In n-dimensional space, if the objects are polydisperse n-balls, we show that solutions correspond to sets of maximal n-balls. For polygons, we provide a heuristic for finding solutions of maximal disks. We consider the properties of ideal distributions of N disks as N→∞. We note an analogy with energy landscapes.

Domain shape instabilities and dendrite domain growth in uniaxial ferroelectrics

NASA Astrophysics Data System (ADS)

Shur, Vladimir Ya.; Akhmatkhanov, Andrey R.

2018-01-01

The effects of domain wall shape instabilities and the formation of nanodomains in front of moving walls obtained in various uniaxial ferroelectrics are discussed. Special attention is paid to the formation of self-assembled nanoscale and dendrite domain structures under highly non-equilibrium switching conditions. All obtained results are considered in the framework of the unified kinetic approach to domain structure evolution based on the analogy with first-order phase transformation. This article is part of the theme issue `From atomistic interfaces to dendritic patterns'.

Lidar Luminance Quantizer

NASA Technical Reports Server (NTRS)

Quilligan, Gerard; DeMonthier, Jeffrey; Suarez, George

2011-01-01

This innovation addresses challenges in lidar imaging, particularly with the detection scheme and the shapes of the detected signals. Ideally, the echoed pulse widths should be extremely narrow to resolve fine detail at high event rates. However, narrow pulses require wideband detection circuitry with increased power dissipation to minimize thermal noise. Filtering is also required to shape each received signal into a form suitable for processing by a constant fraction discriminator (CFD) followed by a time-to-digital converter (TDC). As the intervals between the echoes decrease, the finite bandwidth of the shaping circuits blends the pulses into an analog signal (luminance) with multiple modes, reducing the ability of the CFD to discriminate individual events

Molecular Dynamics Simulations Reveal an Interplay between SHAPE Reagent Binding and RNA Flexibility.

PubMed

Mlýnský, Vojtěch; Bussi, Giovanni

2018-01-18

The function of RNA molecules usually depends on their overall fold and on the presence of specific structural motifs. Chemical probing methods are routinely used in combination with nearest-neighbor models to determine RNA secondary structure. Among the available methods, SHAPE is relevant due to its capability to probe all RNA nucleotides and the possibility to be used in vivo. However, the structural determinants for SHAPE reactivity and its mechanism of reaction are still unclear. Here molecular dynamics simulations and enhanced sampling techniques are used to predict the accessibility of nucleotide analogs and larger RNA structural motifs to SHAPE reagents. We show that local RNA reconformations are crucial in allowing reagents to reach the 2'-OH group of a particular nucleotide and that sugar pucker is a major structural factor influencing SHAPE reactivity.

Comparison of numerical weather prediction based deterministic and probabilistic wind resource assessment methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Jie; Draxl, Caroline; Hopson, Thomas

Numerical weather prediction (NWP) models have been widely used for wind resource assessment. Model runs with higher spatial resolution are generally more accurate, yet extremely computational expensive. An alternative approach is to use data generated by a low resolution NWP model, in conjunction with statistical methods. In order to analyze the accuracy and computational efficiency of different types of NWP-based wind resource assessment methods, this paper performs a comparison of three deterministic and probabilistic NWP-based wind resource assessment methodologies: (i) a coarse resolution (0.5 degrees x 0.67 degrees) global reanalysis data set, the Modern-Era Retrospective Analysis for Research and Applicationsmore » (MERRA); (ii) an analog ensemble methodology based on the MERRA, which provides both deterministic and probabilistic predictions; and (iii) a fine resolution (2-km) NWP data set, the Wind Integration National Dataset (WIND) Toolkit, based on the Weather Research and Forecasting model. Results show that: (i) as expected, the analog ensemble and WIND Toolkit perform significantly better than MERRA confirming their ability to downscale coarse estimates; (ii) the analog ensemble provides the best estimate of the multi-year wind distribution at seven of the nine sites, while the WIND Toolkit is the best at one site; (iii) the WIND Toolkit is more accurate in estimating the distribution of hourly wind speed differences, which characterizes the wind variability, at five of the available sites, with the analog ensemble being best at the remaining four locations; and (iv) the analog ensemble computational cost is negligible, whereas the WIND Toolkit requires large computational resources. Future efforts could focus on the combination of the analog ensemble with intermediate resolution (e.g., 10-15 km) NWP estimates, to considerably reduce the computational burden, while providing accurate deterministic estimates and reliable probabilistic assessments.« less

Gold for the generation and control of fluxional barbaralyl cations.

PubMed

McGonigal, Paul R; de León, Claudia; Wang, Yahui; Homs, Anna; Solorio-Alvarado, César R; Echavarren, Antonio M

2012-12-21

The frog prince with his two identities pales in comparison with the shape-shifting barbaralyl cation, which exists as a mixture of 181,400 degenerate forms. Gold-catalyzed cycloisomerizations of 7-alkynyl cyclohepta-1,3,5-trienes were found to proceed via fluxional barbaralyl intermediates. The evolution of the intermediates into 1- or 2-substituted indenes could be controlled by the choice of gold complex. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Comparison of using different bridge prosthetic designs for partial defect restoration through mathematical modeling.

PubMed

Styranivska, Oksana; Kliuchkovska, Nataliia; Mykyyevych, Nataliya

2017-01-01

To analyze the stress-strain states of bone and abutment teeth during the use of different prosthetic designs of fixed partial dentures with the use of relevant mathematical modeling principles. The use of Comsol Multiphysics 3.5 (Comsol AB, Sweden) software during the mathematical modeling of stress-strain states provided numerical data for analytical interpretation in three different clinical scenarios with fixed dentures and different abutment teeth and demountable prosthetic denture with the saddle-shaped intermediate part. Microsoft Excel Software (Microsoft Office 2017) helped to evaluate absolute mistakes of stress and strain parameters of each abutment tooth during three modeled scenarios and normal condition and to summarize data into the forms of tables. In comparison with the fixed prosthetic denture supported by the canine, first premolar, and third molar, stresses at the same abutment teeth with the use of demountable denture with the saddle-shaped intermediate part decreased: at the mesial abutment tooth by 2.8 times, at distal crown by 6.1 times, and at the intermediate part by 11.1 times, respectively, the deformation level decreased by 3.1, 1.9, and 1.4 times at each area. The methods of mathematical modeling proved that complications during the use of fixed partial dentures based on the overload effect of the abutment teeth and caused by the deformation process inside the intermediate section of prosthetic construction.

Analysis of Quasi-periodic Oscillations and Time Lag in Ultraluminous X-Ray Sources with XMM-Newton

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Zi-Jian; Xiao, Guang-Cheng; Zhang, Shu

We investigated the power density spectrum (PDS) and time lag of ultraluminous X-ray sources (ULXs) observed by XMM-Newton . We determined the PDSs for each ULX and found that five of them show intrinsic variability due to obvious quasi-periodic oscillations (QPOs) of mHz–1 Hz, consistent with previous reports. We further investigated these five ULXs to determine their possible time lag. The ULX QPOs exhibit a soft time lag that is linearly related to the QPO frequency. We discuss the likelihood of the ULX QPOs being type-C QPO analogs, and the time lag models. The ULXs might harbor intermediate-mass black holesmore » if their QPOs are type-C QPO analogs. We suggest that the soft lag and the linearity may be due to reverberation.« less

From particle condensation to polymer aggregation

NASA Astrophysics Data System (ADS)

Janke, Wolfhard; Zierenberg, Johannes

2018-01-01

We draw an analogy between droplet formation in dilute particle and polymer systems. Our arguments are based on finite-size scaling results from studies of a two-dimensional lattice gas to three-dimensional bead-spring polymers. To set the results in perspective, we compare with in part rigorous theoretical scaling laws for canonical condensation in a supersaturated gas at fixed temperature, and derive corresponding scaling predictions for an undercooled gas at fixed density. The latter allows one to efficiently employ parallel multicanonical simulations and to reach previously not accessible scaling regimes. While the asymptotic scaling can not be observed for the comparably small polymer system sizes, they demonstrate an intermediate scaling regime also observable for particle condensation. Altogether, our extensive results from computer simulations provide clear evidence for the close analogy between particle condensation and polymer aggregation in dilute systems.

Line Designs Inspired by Paul Klee

ERIC Educational Resources Information Center

Blanchette, Lisa

2009-01-01

In this lesson, students learn about line, shape, color, mixed media and abstraction, while being introduced to Swiss artist, Paul Klee (1879-1940). This lesson works well with a variety of age levels and abilities and could also be used to teach analogous or triad color schemes.

Further studies on the structural requirements for mast cell degranulating (MCD) peptide-mediated histamine release.

PubMed

Buku, A; Price, J A

2001-12-01

Mast cell degranulating (MCD) peptide was modified in its two disulfide bridges and in the two arginine residues in order to measure the ability of these analogs to induce histamine release from mast cells in vitro. Analogs prepared were [Ala(3,15)]MCD, [Ala(5,19)]MCD, [Orn(16)]MCD, and [Orn(7,16)]MCD. Their histamine-releasing activity was determined spectrofluorometrically with peritoneal mast cells. The monocyclic analogs in which the cysteine residues were replaced pairwise with alanine residues showed three-to ten-fold diminished histamine-releasing activity respectively, compared with the parent MCD peptide. Substantial increases in activity were observed where arginine residues were replaced by ornithines. The ornithine-mono substituted analog showed an almost six-fold increase and the ornithine-doubly substituted analog three-fold increase in histamine-releasing activity compared with the parent MCD peptide. The structural changes associated with these activities were followed by circular dichroism (CD) spectroscopy. Changes in the shape and ellipticity of the CD spectra reflected a role for the disulfide bonds and the two arginine residues in the overall conformation and biological activity of the molecule.

Geography and major host evolutionary transitions shape the resource use of plant parasites

PubMed Central

Calatayud, Joaquín; Hórreo, José Luis; Madrigal-González, Jaime; Migeon, Alain; Rodríguez, Miguel Á.; Magalhães, Sara; Hortal, Joaquín

2016-01-01

The evolution of resource use in herbivores has been conceptualized as an analog of the theory of island biogeography, assuming that plant species are islands separated by phylogenetic distances. Despite its usefulness, this analogy has paradoxically led to neglecting real biogeographical processes in the study of macroevolutionary patterns of herbivore–plant interactions. Here we show that host use is mostly determined by the geographical cooccurrence of hosts and parasites in spider mites (Tetranychidae), a globally distributed group of plant parasites. Strikingly, geography accounts for most of the phylogenetic signal in host use by these parasites. Beyond geography, only evolutionary transitions among major plant lineages (i.e., gymnosperms, commelinids, and eudicots) shape resource use patterns in these herbivores. Still, even these barriers have been repeatedly overcome in evolutionary time, resulting in phylogenetically diverse parasite communities feeding on similar hosts. Therefore, our results imply that patterns of apparent evolutionary conservatism may largely be a byproduct of the geographic cooccurrence of hosts and parasites. PMID:27535932

MOSFET Switching Circuit Protects Shape Memory Alloy Actuators

NASA Technical Reports Server (NTRS)

Gummin, Mark A.

2011-01-01

A small-footprint, full surface-mount-component printed circuit board employs MOSFET (metal-oxide-semiconductor field-effect transistor) power switches to switch high currents from any input power supply from 3 to 30 V. High-force shape memory alloy (SMA) actuators generally require high current (up to 9 A at 28 V) to actuate. SMA wires (the driving element of the actuators) can be quickly overheated if power is not removed at the end of stroke, which can damage the wires. The new analog driver prevents overheating of the SMA wires in an actuator by momentarily removing power when the end limit switch is closed, thereby allowing complex control schemes to be adopted without concern for overheating. Either an integral pushbutton or microprocessor-controlled gate or control line inputs switch current to the actuator until the end switch line goes from logic high to logic low state. Power is then momentarily removed (switched off by the MOSFET). The analog driver is suited to use with nearly any SMA actuator.

Geography and major host evolutionary transitions shape the resource use of plant parasites.

PubMed

Calatayud, Joaquín; Hórreo, José Luis; Madrigal-González, Jaime; Migeon, Alain; Rodríguez, Miguel Á; Magalhães, Sara; Hortal, Joaquín

2016-08-30

The evolution of resource use in herbivores has been conceptualized as an analog of the theory of island biogeography, assuming that plant species are islands separated by phylogenetic distances. Despite its usefulness, this analogy has paradoxically led to neglecting real biogeographical processes in the study of macroevolutionary patterns of herbivore-plant interactions. Here we show that host use is mostly determined by the geographical cooccurrence of hosts and parasites in spider mites (Tetranychidae), a globally distributed group of plant parasites. Strikingly, geography accounts for most of the phylogenetic signal in host use by these parasites. Beyond geography, only evolutionary transitions among major plant lineages (i.e., gymnosperms, commelinids, and eudicots) shape resource use patterns in these herbivores. Still, even these barriers have been repeatedly overcome in evolutionary time, resulting in phylogenetically diverse parasite communities feeding on similar hosts. Therefore, our results imply that patterns of apparent evolutionary conservatism may largely be a byproduct of the geographic cooccurrence of hosts and parasites.

The neural representation of objects formed through the spatiotemporal integration of visual transients

PubMed Central

Erlikhman, Gennady; Gurariy, Gennadiy; Mruczek, Ryan E.B.; Caplovitz, Gideon P.

2016-01-01

Oftentimes, objects are only partially and transiently visible as parts of them become occluded during observer or object motion. The visual system can integrate such object fragments across space and time into perceptual wholes or spatiotemporal objects. This integrative and dynamic process may involve both ventral and dorsal visual processing pathways, along which shape and spatial representations are thought to arise. We measured fMRI BOLD response to spatiotemporal objects and used multi-voxel pattern analysis (MVPA) to decode shape information across 20 topographic regions of visual cortex. Object identity could be decoded throughout visual cortex, including intermediate (V3A, V3B, hV4, LO1-2,) and dorsal (TO1-2, and IPS0-1) visual areas. Shape-specific information, therefore, may not be limited to early and ventral visual areas, particularly when it is dynamic and must be integrated. Contrary to the classic view that the representation of objects is the purview of the ventral stream, intermediate and dorsal areas may play a distinct and critical role in the construction of object representations across space and time. PMID:27033688

Electron microscopic analysis of rotavirus assembly-replication intermediates

PubMed Central

Boudreaux, Crystal E.; Kelly, Deborah F.; McDonald, Sarah M.

2015-01-01

Rotaviruses (RVs) replicate their segmented, double-stranded RNA genomes in tandem with early virion assembly. In this study, we sought to gain insight into the ultrastructure of RV assembly-replication intermediates (RIs) using transmission electron microscopy (EM). Specifically, we examined a replicase-competent, subcellular fraction that contains all known RV RIs. Three never-before-seen complexes were visualized in this fraction. Using in vitro reconstitution, we showed that ~15-nm doughnut-shaped proteins in strings were nonstructural protein 2 (NSP2) bound to viral RNA transcripts. Moreover, using immunoaffinity-capture EM, we revealed that ~20-nm pebble-shaped complexes contain the viral RNA polymerase (VP1) and RNA capping enzyme (VP3). Finally, using a gel purification method, we demonstrated that ~30–70-nm electron-dense, particle-shaped complexes represent replicase-competent core RIs, containing VP1, VP3, and NSP2 as well as capsid proteins VP2 and VP6. The results of this study raise new questions about the interactions among viral proteins and RNA during the concerted assembly-replicase process. PMID:25635339

A Deep Space Network Portable Radio Science Receiver

NASA Technical Reports Server (NTRS)

Jongeling, Andre P.; Sigman, Elliott H.; Chandra, Kumar; Trinh, Joseph T.; Navarro, Robert; Rogstad, Stephen P.; Goodhart, Charles E.; Proctor, Robert C.; Finley, Susan G.; White, Leslie A.

2009-01-01

The Radio Science Receiver (RSR) is an open-loop receiver installed in NASA s Deep Space Network (DSN), which digitally filters and records intermediate-frequency (IF) analog signals. The RSR is an important tool for the Cassini Project, which uses it to measure perturbations of the radio-frequency wave as it travels between the spacecraft and the ground stations, allowing highly detailed study of the composition of the rings, atmosphere, and surface of Saturn and its satellites.

Methods of Information Geometry to model complex shapes

NASA Astrophysics Data System (ADS)

De Sanctis, A.; Gattone, S. A.

2016-09-01

In this paper, a new statistical method to model patterns emerging in complex systems is proposed. A framework for shape analysis of 2- dimensional landmark data is introduced, in which each landmark is represented by a bivariate Gaussian distribution. From Information Geometry we know that Fisher-Rao metric endows the statistical manifold of parameters of a family of probability distributions with a Riemannian metric. Thus this approach allows to reconstruct the intermediate steps in the evolution between observed shapes by computing the geodesic, with respect to the Fisher-Rao metric, between the corresponding distributions. Furthermore, the geodesic path can be used for shape predictions. As application, we study the evolution of the rat skull shape. A future application in Ophthalmology is introduced.

Bi-stable vocal fold adduction: a mechanism of modal-falsetto register shifts and mixed registration.

PubMed

Titze, Ingo R

2014-04-01

The origin of vocal registers has generally been attributed to differential activation of cricothyroid and thyroarytenoid muscles in the larynx. Register shifts, however, have also been shown to be affected by glottal pressures exerted on vocal fold surfaces, which can change with loudness, pitch, and vowel. Here it is shown computationally and with empirical data that intraglottal pressures can change abruptly when glottal adductory geometry is changed relatively smoothly from convergent to divergent. An intermediate shape between large convergence and large divergence, namely, a nearly rectangular glottal shape with almost parallel vocal fold surfaces, is associated with mixed registration. It can be less stable than either of the highly angular shapes unless transglottal pressure is reduced and upper stiffness of vocal fold tissues is balanced with lower stiffness. This intermediate state of adduction is desirable because it leads to a low phonation threshold pressure with moderate vocal fold collision. Achieving mixed registration consistently across wide ranges of F0, lung pressure, and vocal tract shapes appears to be a balancing act of coordinating laryngeal muscle activation with vocal tract pressures. Surprisingly, a large transglottal pressure is not facilitative in this process, exacerbating the bi-stable condition and the associated register contrast.

Bi-stable vocal fold adduction: A mechanism of modal-falsetto register shifts and mixed registration

PubMed Central

Titze, Ingo R.

2014-01-01

The origin of vocal registers has generally been attributed to differential activation of cricothyroid and thyroarytenoid muscles in the larynx. Register shifts, however, have also been shown to be affected by glottal pressures exerted on vocal fold surfaces, which can change with loudness, pitch, and vowel. Here it is shown computationally and with empirical data that intraglottal pressures can change abruptly when glottal adductory geometry is changed relatively smoothly from convergent to divergent. An intermediate shape between large convergence and large divergence, namely, a nearly rectangular glottal shape with almost parallel vocal fold surfaces, is associated with mixed registration. It can be less stable than either of the highly angular shapes unless transglottal pressure is reduced and upper stiffness of vocal fold tissues is balanced with lower stiffness. This intermediate state of adduction is desirable because it leads to a low phonation threshold pressure with moderate vocal fold collision. Achieving mixed registration consistently across wide ranges of F0, lung pressure, and vocal tract shapes appears to be a balancing act of coordinating laryngeal muscle activation with vocal tract pressures. Surprisingly, a large transglottal pressure is not facilitative in this process, exacerbating the bi-stable condition and the associated register contrast. PMID:25235006

Infrared and Visible Absolute and Difference Spectra of Bacteriorhodopsin Photocycle Intermediates

PubMed Central

Hendler, Richard W.; Meuse, Curtis W.; Braiman, Mark S.; Smith, Paul D.; Kakareka, John W.

2014-01-01

We have used new kinetic fitting procedures to obtain IR absolute spectra for intermediates of the main bacteriorhodopsin (bR) photocycle(s). The linear algebra-based procedures of Hendler et al. (2001) J. Phys. Chem. B, 105, 3319–3228, for obtaining clean absolute visible spectra of bR photocycle intermediates, were adapted for use with IR data. This led to isolation, for the first time, of corresponding clean absolute IR spectra, including the separation of the M intermediate into its MF and MS components from parallel photocycles. This in turn permitted the computation of clean IR difference spectra between pairs of successive intermediates, allowing for the most rigorous analysis to date of changes occurring at each step of the photocycle. The statistical accuracy of the spectral calculation methods allows us to identify, with great confidence, new spectral features. One of these is a very strong differential IR band at 1650 cm−1 for the L intermediate at room temperature that is not present in analogous L spectra measured at cryogenic temperatures. This band, in one of the noisiest spectral regions, has not been identified in any previous time-resolved IR papers, although retrospectively it is apparent as one of the strongest L absorbance changes in their raw data, considered collectively. Additionally, our results are most consistent with Arg82 as the primary proton-release group (PRG), rather than a protonated water cluster or H-bonded grouping of carboxylic residues. Notably, the Arg82 deprotonation occurs exclusively in the MF pathway of the parallel cycles model of the photocycle. PMID:21929858

Infrared and visible absolute and difference spectra of bacteriorhodopsin photocycle intermediates.

PubMed

Hendler, Richard W; Meuse, Curtis W; Braiman, Mark S; Smith, Paul D; Kakareka, John W

2011-09-01

We have used new kinetic fitting procedures to obtain infrared (IR) absolute spectra for intermediates of the main bacteriorhodopsin (bR) photocycle(s). The linear-algebra-based procedures of Hendler et al. (J. Phys. Chem. B, 105, 3319-3228 (2001)) for obtaining clean absolute visible spectra of bR photocycle intermediates were adapted for use with IR data. This led to isolation, for the first time, of corresponding clean absolute IR spectra, including the separation of the M intermediate into its M(F) and M(S) components from parallel photocycles. This in turn permitted the computation of clean IR difference spectra between pairs of successive intermediates, allowing for the most rigorous analysis to date of changes occurring at each step of the photocycle. The statistical accuracy of the spectral calculation methods allows us to identify, with great confidence, new spectral features. One of these is a very strong differential IR band at 1650 cm(-1) for the L intermediate at room temperature that is not present in analogous L spectra measured at cryogenic temperatures. This band, in one of the noisiest spectral regions, has not been identified in any previous time-resolved IR papers, although retrospectively it is apparent as one of the strongest L absorbance changes in their raw data, considered collectively. Additionally, our results are most consistent with Arg82 as the primary proton-release group (PRG), rather than a protonated water cluster or H-bonded grouping of carboxylic residues. Notably, the Arg82 deprotonation occurs exclusively in the M(F) pathway of the parallel cycles model of the photocycle. © 2011 Society for Applied Spectroscopy

Radio emission from an ultraluminous x-ray source.

PubMed

Kaaret, Philip; Corbel, Stephane; Prestwich, Andrea H; Zezas, Andreas

2003-01-17

The physical nature of ultraluminous x-ray sources is uncertain. Stellar-mass black holes with beamed radiation and intermediate black holes with isotropic radiation are two plausible explanations. We discovered radio emission from an ultraluminous x-ray source in the dwarf irregular galaxy NGC 5408. The x-ray, radio, and optical fluxes as well as the x-ray spectral shape are consistent with beamed relativistic jet emission from an accreting stellar black hole. If confirmed, this would suggest that the ultraluminous x-ray sources may be stellar-mass rather than intermediate-mass black holes. However, interpretation of the source as a jet-producing intermediate-mass black hole cannot be ruled out at this time.

The Origin of Ina: Evidence for Inflated Lava Flows on the Moon

NASA Technical Reports Server (NTRS)

Garry, W. B.; Robinson, M. S.; Zimbelman, J. R.; Bleacher, J. E.; Hawke, B. R.; Crumpler, L. S.; Braden, S. E.; Sato, H.

2012-01-01

Ina is an enigmatic volcanic feature on the Moon known for its irregularly shaped mounds, the origin of which has been debated since the Apollo Missions. Three main units are observed on the floor of the depression (2.9 km across, < or =64 m deep) located at the summit of a low-shield volcano: irregularly shaped mounds up to 20 m tall, a lower unit 1 to 5 m in relief that surrounds the mounds, and blocky material. Analyses of Lunar Reconnaissance Orbiter Camera images and topography show that features in Ina are morphologically similar to terrestrial inflated lava flows. Comparison of these unusual lunar mounds and possible terrestrial analogs leads us to hypothesize that features in Ina were formed through lava flow inflation processes. While the source of the lava remains unclear, this new model suggests that as the mounds inflated, breakouts along their margins served as sources for surface flows that created the lower morphologic unit. Over time, mass wasting of both morphologic units has exposed fresh surfaces observed in the blocky unit. Ina is different than the terrestrial analogs presented in this study in that the lunar features formed within a depression, no vent sources are observed, and no cracks are observed on the mounds. However, lava flow inflation processes explain many of the morphologic relationships observed in Ina and are proposed to be analogous with inflated lava flows on Earth.

Synthetic Routes to Methylerythritol Phosphate Pathway Intermediates and Downstream Isoprenoids

PubMed Central

Jarchow-Choy, Sarah K; Koppisch, Andrew T; Fox, David T

2014-01-01

Isoprenoids constitute the largest class of natural products with greater than 55,000 identified members. They play essential roles in maintaining proper cellular function leading to maintenance of human health, plant defense mechanisms against predators, and are often exploited for their beneficial properties in the pharmaceutical and nutraceutical industries. Most impressively, all known isoprenoids are derived from one of two C5-precursors, isopentenyl diphosphate (IPP) or dimethylallyl diphosphate (DMAPP). In order to study the enzyme transformations leading to the extensive structural diversity found within this class of compounds there must be access to the substrates. Sometimes, intermediates within a biological pathway can be isolated and used directly to study enzyme/pathway function. However, the primary route to most of the isoprenoid intermediates is through chemical catalysis. As such, this review provides the first exhaustive examination of synthetic routes to isoprenoid and isoprenoid precursors with particular emphasis on the syntheses of intermediates found as part of the 2C-methylerythritol 4-phosphate (MEP) pathway. In addition, representative syntheses are presented for the monoterpenes (C10), sesquiterpenes (C15), diterpenes (C20), triterpenes (C30) and tetraterpenes (C40). Finally, in some instances, the synthetic routes to substrate analogs found both within the MEP pathway and downstream isoprenoids are examined. PMID:25009443

Intermediate phases in some rare earth-ruthenium systems

NASA Technical Reports Server (NTRS)

Sharifrazi, P.; Raman, A.; Mohanty, R. C.

1984-01-01

The phase equilibria and crystal structures of intermediate phases were investigated in eight representative RE-Ru systems using powder X-ray diffraction and metallographic techniques. The Fe3C, Mn5C2 and Er5Ru3 structures occur in all but the Ce-Ru systems. Phases analogous to Er5Ru3 possess an unknown crystal structure similar to Er5Rh3(I). MgCu2 and MgZn2 type Laves phases are encountered in the light rare earth and heavy rare earth systems, respectively, and RERu2 phases, where RE = Nd and Sm, possess both the Laves phase structures. An intermediate phase, NdRu, with an unknown structure, occurs only in the Nd-Ru system. A bcc structure with 40 atoms per unit cell is encountered in the phases Er3Ru2 and Y3Ru2. The behavior of cerium in Ce-Ru alloys is unique in that four unidentified structures, not encountered in other RE-Ru systems, have been encountered. Also a phase designated as Ce3Ru is found with the Th7Fe3 type structure.

Magnesium Induced Nucleophile Activation in the Guanylyltransferase mRNA Capping Enzyme

PubMed Central

Swift, Robert V.; Ong, Chau D.; Amaro, Rommie E.

2012-01-01

The messenger RNA guanylyltransferase, or mRNA capping enzyme, co-transcriptionally caps the 5′-end of nascent mRNA with GMP during the second in a set of three enzymatic reactions that result in the formation of an N7-methyl guanosine cap during mRNA maturation. The mRNA capping enzyme is characterized, in part, by a conserved lysine nucleophile that attacks the alpha-phosphorous atom of GTP, forming a lysine-GMP intermediate. Experiments have firmly established that magnesium is required for efficient intermediate formation, but have provided little insight into the requirement’s molecular origins. Using empirical and thermodynamic integration pKa estimates, along with conventional MD simulations, we show that magnesium binding likely activates the lysine nucleophile by increasing its acidity and by biasing the deprotonated nucleophile into conformations conducive to intermediate formation. These results provide additional functional understanding of an important enzyme in the mRNA transcript life cycle and allow functional analogies to be drawn that affect our understanding of the metal dependence of related superfamily members. PMID:23205906

Shaping metallic glasses by electromagnetic pulsing

PubMed Central

Kaltenboeck, Georg; Demetriou, Marios D.; Roberts, Scott; Johnson, William L.

2016-01-01

With damage tolerance rivalling advanced engineering alloys and thermoplastic forming capabilities analogous to conventional plastics, metallic glasses are emerging as a modern engineering material. Here, we take advantage of their unique electrical and rheological properties along with the classic Lorentz force concept to demonstrate that electromagnetic coupling of electric current and a magnetic field can thermoplastically shape a metallic glass without conventional heating sources or applied mechanical forces. Specifically, we identify a process window where application of an electric current pulse in the presence of a normally directed magnetic field can ohmically heat a metallic glass to a softened state, while simultaneously inducing a large enough magnetic body force to plastically shape it. The heating and shaping is performed on millisecond timescales, effectively bypassing crystallization producing fully amorphous-shaped parts. This electromagnetic forming approach lays the groundwork for a versatile, time- and energy-efficient manufacturing platform for ultrastrong metals. PMID:26853460

On the shape of giant soap bubbles.

PubMed

Cohen, Caroline; Darbois Texier, Baptiste; Reyssat, Etienne; Snoeijer, Jacco H; Quéré, David; Clanet, Christophe

2017-03-07

We study the effect of gravity on giant soap bubbles and show that it becomes dominant above the critical size [Formula: see text], where [Formula: see text] is the mean thickness of the soap film and [Formula: see text] is the capillary length ([Formula: see text] stands for vapor-liquid surface tension, and [Formula: see text] stands for the liquid density). We first show experimentally that large soap bubbles do not retain a spherical shape but flatten when increasing their size. A theoretical model is then developed to account for this effect, predicting the shape based on mechanical equilibrium. In stark contrast to liquid drops, we show that there is no mechanical limit of the height of giant bubble shapes. In practice, the physicochemical constraints imposed by surfactant molecules limit the access to this large asymptotic domain. However, by an exact analogy, it is shown how the giant bubble shapes can be realized by large inflatable structures.

UV absorption spectrum and photodissociation channels of the simplest Criegee intermediate (CH2OO).

PubMed

Dawes, Richard; Jiang, Bin; Guo, Hua

2015-01-14

The lowest-lying singlet states of the simplest Criegee intermediate (CH2OO) have been characterized along the O-O dissociation coordinate using explicitly correlated MRCI-F12 electronic structure theory and large active spaces. It is found that a high-level treatment of dynamic electron-correlation is essential to accurately describe these states. A significant well on the B-state is identified at the MRCI-F12 level with an equilibrium structure that differs substantially from that of the ground X-state. This well is presumably responsible for the apparent vibrational structure in some experimental UV absorption spectra, analogous to the structured Huggins band of the iso-electronic ozone. The B-state potential in the Franck-Condon region is sufficiently accurate that an absorption spectrum calculated with a one-dimensional model agrees remarkably well with experiment.

Synthesis of Cyclopentenimines from N-Allyl Ynamides via a Tandem Aza-Claisen Rearrangement–Carbocyclization Sequence

PubMed Central

Wang, Xiao-Na; Winston-McPherson, Gabrielle N.; Walton, Mary C.; Zhang, Yu

2013-01-01

We describe here details of our investigations into Pd-catalyzed and thermal aza-Claisen–carbocyclizations of N-allyl ynamides to prepare a variety of α,β-unsaturated cyclopentenimines. The nature of the ynamide electron withdrawing group and β-substituent plays critical roles in the success of this tandem cascade. With N-sulfonyl ynamides, the use of palladium catalysis is required, as facile 1,3-sulfonyl shifts dominate under thermal conditions. However, since no analogous 1,3-phosphoryl shift is operational, N-phosphoryl ynamides could be used to prepare similar cyclopentenimines under thermal conditions through zwitter ionic intermediates that undergo N-promoted H-shifts. Alternatively, by employing ynamides bearing tethered carbon nucleophiles, the zwitter ionic intermediates could be intercepted giving rise rapidly to more complex fused bi- and tricyclic scaffolds. PMID:23718841

Quantitative analysis of autophagic flux by confocal pH-imaging of autophagic intermediates

PubMed Central

Maulucci, Giuseppe; Chiarpotto, Michela; Papi, Massimiliano; Samengo, Daniela; Pani, Giovambattista; De Spirito, Marco

2015-01-01

Although numerous techniques have been developed to monitor autophagy and to probe its cellular functions, these methods cannot evaluate in sufficient detail the autophagy process, and suffer limitations from complex experimental setups and/or systematic errors. Here we developed a method to image, contextually, the number and pH of autophagic intermediates by using the probe mRFP-GFP-LC3B as a ratiometric pH sensor. This information is expressed functionally by AIPD, the pH distribution of the number of autophagic intermediates per cell. AIPD analysis reveals how intermediates are characterized by a continuous pH distribution, in the range 4.5–6.5, and therefore can be described by a more complex set of states rather than the usual biphasic one (autophagosomes and autolysosomes). AIPD shape and amplitude are sensitive to alterations in the autophagy pathway induced by drugs or environmental states, and allow a quantitative estimation of autophagic flux by retrieving the concentrations of autophagic intermediates. PMID:26506895

Triazolophostins: a library of novel and potent agonists of IP3 receptors† †Electronic supplementary information (ESI) available: Synthetic procedures and spectral data for all new compounds, crystal data for disaccharide 4 and details of the docking study. CCDC 1022279. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5ob00440c Click here for additional data file. Click here for additional data file.

PubMed Central

Vibhute, Amol M.; Konieczny, Vera; Taylor, Colin W.

2015-01-01

IP3 receptors are channels that mediate the release of Ca2+ from the intracellular stores of cells stimulated by hormones or neurotransmitters. Adenophostin A (AdA) is the most potent agonist of IP3 receptors, with the β-anomeric adenine contributing to the increased potency. The potency of AdA and its stability towards the enzymes that degrade IP3 have aroused interest in AdA analogs for biological studies. The complex structure of AdA poses problems that have necessitated optimization of synthetic conditions for each analog. Such lengthy one-at-a-time syntheses limit access to AdA analogs. We have addressed this problem by synthesizing a library of triazole-based AdA analogs, triazolophostins, by employing click chemistry. An advanced intermediate having all the necessary phosphates and a β-azide at the anomeric position was reacted with various alkynes under Cu(i) catalysis to yield triazoles, which upon deprotection gave triazolophostins. All eleven triazolophostins synthesized are more potent than IP3 and some are equipotent with AdA in functional analyses of IP3 receptors. We show that a triazole ring can replace adenine without compromising the potency of AdA and provide facile routes to novel AdA analogs. PMID:25869535

Analytic Study of Induced Pressure on Long Bodies of Revolution with Varying Nose Bluntness at Hypersonic Speeds

NASA Technical Reports Server (NTRS)

VanHise, Vernon

1961-01-01

Pressure distributions and shock shapes for a series of cylindrical afterbodies having nose fineness ratios from 0.4 to 4 have been calculated by using the method of characteristics for a perfect gas. The fluid mediums investigated were air and helium and the Mach number range was from 5 to 40. Flow parameters obtained from blast-wave analogy gave good correlations of blunt-nose induced pressures and shock shapes. Experimental results are found to be in good agreement with the characteristic calculations. The concept of hypersonic similitude enables good correlation of the results with respect to body shape, Mach number, and ratio of specific heats.

3D Printing of a Thermoplastic Shape Memory Polymer using FDM

NASA Astrophysics Data System (ADS)

Zhao, Zhiyang; Weiss, R. A.; Vogt, Bryan

Shape memory polymers (SMPs) change from a temporary shape to its permanent shape when exposed to an external stimulus. The shape memory relies on the presence of two independent networks. 3D printing provides a facile method to fabricate complex shapes with high degrees of customizability. The most common consumer 3D printing technology is fused deposition modeling (FDM), which relies on the extrusion of a thermoplastic filament to build-up the part in a layer by layer fashion. The material choices for FDM are limited, but growing. The generation of an SMP that is printable by FDM could open SMPs to many new potential applications. In this work, we demonstrate printing of thermally activated SMP using FDM. Partially neutralized poly(ethylene-co-r-methacrylic acid) ionomers (Surlyn by Dupont) was extruded into filaments and used as a model thermoplastic shape memory material. The properties of the SMP part can be readily tuned by print parameters, such as infill density or infill direction without changing the base material. We discuss the performance and characteristics of 3D printed shapes compared to their compression molded analogs.

Structural studies of a crystalline insulin analog complex with protamine by atomic force microscopy.

PubMed Central

Yip, C M; Brader, M L; Frank, B H; DeFelippis, M R; Ward, M D

2000-01-01

Crystallographic studies of insulin-protamine complexes, such as neutral protamine Hagedorn (NPH) insulin, have been hampered by high crystal solvent content, small crystal dimensions, and extensive disorder in the protamine molecules. We report herein in situ tapping mode atomic force microscopy (TMAFM) studies of crystalline neutral protamine Lys(B28)Pro(B29) (NPL), a complex of Lys(B28)Pro(B29) insulin, in which the C-terminal prolyl and lysyl residues of human insulin are inverted, and protamine that is used as an intermediate time-action therapy for treating insulin-dependent diabetes. Tapping mode AFM performed at 6 degrees C on bipyramidally tipped tetragonal rod-shaped NPL crystals revealed large micron-sized islands separated by 44-A tall steps. Lattice images obtained by in situ TMAFM phase and height imaging on these islands were consistent with the arrangement of individual insulin-protamine complexes on the P4(1)2(1)2 (110) crystal plane of NPH, based on a low-resolution x-ray diffraction structure of NPH, arguing that the NPH and NPL insulins are isostructural. Superposition of the height and phase images indicated that tip-sample adhesion was larger in the interstices between NPL complexes in the (110) crystal plane than over the individual complexes. These results demonstrate the utility of low-temperature TMAFM height and phase imaging for the structural characterization of biomolecular complexes. PMID:10620310

Analog "neuronal" networks in early vision.

PubMed Central

Koch, C; Marroquin, J; Yuille, A

1986-01-01

Many problems in early vision can be formulated in terms of minimizing a cost function. Examples are shape from shading, edge detection, motion analysis, structure from motion, and surface interpolation. As shown by Poggio and Koch [Poggio, T. & Koch, C. (1985) Proc. R. Soc. London, Ser. B 226, 303-323], quadratic variational problems, an important subset of early vision tasks, can be "solved" by linear, analog electrical, or chemical networks. However, in the presence of discontinuities, the cost function is nonquadratic, raising the question of designing efficient algorithms for computing the optimal solution. Recently, Hopfield and Tank [Hopfield, J. J. & Tank, D. W. (1985) Biol. Cybern. 52, 141-152] have shown that networks of nonlinear analog "neurons" can be effective in computing the solution of optimization problems. We show how these networks can be generalized to solve the nonconvex energy functionals of early vision. We illustrate this approach by implementing a specific analog network, solving the problem of reconstructing a smooth surface from sparse data while preserving its discontinuities. These results suggest a novel computational strategy for solving early vision problems in both biological and real-time artificial vision systems. PMID:3459172

The SEEDs of Planet Formation: Indirect Signatures of Giant Planets in Transitional Disks

NASA Technical Reports Server (NTRS)

Grady, Carol; Currie, T.

2012-01-01

We live in a planetary system with 2 gas giant planets, and as a resu lt of RV, transit, microlensing, and transit timing studies have ide ntified hundreds of giant planet candidates in the past 15 years. Su ch studies have preferentially concentrated on older, low activity So lar analogs, and thus tell us little about .when, where, and how gian t planets form in their disks, or how frequently they form in disks associated with intermediate-mass stars.

Addiction to melodrama.

PubMed

Stephens, Robert P

2011-01-01

Addiction films have been shaped by the internal demands of a commercial medium. Specifically, melodrama, as a genre, has defined the limits of the visual representation of addiction. Similarly, the process of intermedialization has tended to induce a metamorphosis that shapes disparate narratives with diverse goals into a generic filmic form and substantially alters the meanings of the texts. Ultimately, visual representations shape public perceptions of addiction in meaningful ways, privileging a moralistic understanding of drug addiction that makes a complex issue visually uncomplicated by reinforcing "common sense" ideas of moral failure and redemption. Copyright © 2011 Informa Healthcare USA, Inc.

Geometrical superresolved imaging using nonperiodic spatial masking.

PubMed

Borkowski, Amikam; Zalevsky, Zeev; Javidi, Bahram

2009-03-01

The resolution of every imaging system is limited either by the F-number of its optics or by the geometry of its detection array. The geometrical limitation is caused by lack of spatial sampling points as well as by the shape of every sampling pixel that generates spectral low-pass filtering. We present a novel approach to overcome the low-pass filtering that is due to the shape of the sampling pixels. The approach combines special algorithms together with spatial masking placed in the intermediate image plane and eventually allows geometrical superresolved imaging without relation to the actual shape of the pixels.

Application of two procedures for dual-point design of transonic airfoils

NASA Technical Reports Server (NTRS)

Mineck, Raymond E.; Campbell, Richard L.; Allison, Dennis O.

1994-01-01

Two dual-point design procedures were developed to reduce the objective function of a baseline airfoil at two design points. The first procedure to develop a redesigned airfoil used a weighted average of the shapes of two intermediate airfoils redesigned at each of the two design points. The second procedure used a weighted average of two pressure distributions obtained from an intermediate airfoil redesigned at each of the two design points. Each procedure was used to design a new airfoil with reduced wave drag at the cruise condition without increasing the wave drag or pitching moment at the climb condition. Two cycles of the airfoil shape-averaging procedure successfully designed a new airfoil that reduced the objective function and satisfied the constraints. One cycle of the target (desired) pressure-averaging procedure was used to design two new airfoils that reduced the objective function and came close to satisfying the constraints.

Creating Body Shapes From Verbal Descriptions by Linking Similarity Spaces.

PubMed

Hill, Matthew Q; Streuber, Stephan; Hahn, Carina A; Black, Michael J; O'Toole, Alice J

2016-11-01

Brief verbal descriptions of people's bodies (e.g., "curvy," "long-legged") can elicit vivid mental images. The ease with which these mental images are created belies the complexity of three-dimensional body shapes. We explored the relationship between body shapes and body descriptions and showed that a small number of words can be used to generate categorically accurate representations of three-dimensional bodies. The dimensions of body-shape variation that emerged in a language-based similarity space were related to major dimensions of variation computed directly from three-dimensional laser scans of 2,094 bodies. This relationship allowed us to generate three-dimensional models of people in the shape space using only their coordinates on analogous dimensions in the language-based description space. Human descriptions of photographed bodies and their corresponding models matched closely. The natural mapping between the spaces illustrates the role of language as a concise code for body shape that captures perceptually salient global and local body features. © The Author(s) 2016.

Fish-borne Zoonotic Trematode Metacercariae in the Republic of Korea

PubMed Central

2009-01-01

The prevalence of fish-borne trematodes (FBT), including Clonorchis sinensis, is still high in riverside areas of the Republic of Korea. The author reviewed the detection and identification methods, differential keys, fish intermediate hosts, and morphological characteristics of FBT metacercariae. FBT metacercariae found in freshwater fish are classified mainly into 4 families, i.e., Opisthorchiidae, Heterophyidae, Echinostomatidae, and Clinostomidae. The metacercariae of C. sinensis, found in 40 species of freshwater fish, are elliptical and 0.15-0.17 × 0.13-0.15 mm in size, have nearly equal sized oral and ventral suckers, brownish pigment granules, and an O-shaped excretory bladder. Their general morphologies are similar to those of Metorchis orientalis (except in the thickness of the cyst wall). Metagonimus spp. (M. yokogawai, M. takahashii, and M. miyatai) metacercariae are subglobular or disc-shaped, and 0.14-0.16 mm in diameter. They have yellow-brownish pigment granules, a ventral sucker deflectively located from median, and a V-shaped excretory bladder. The metacercariae and fish intermediate hosts of Centrocestus armatus, Clinostomum complanatum, and 3 echinostomatid flukes (Echinostoma hortense, E. cinetorchis, and Echinochasmus japonicus) were summarized. FBT metacercariae detected in brackish water fish are mainly members of the Heterophyidae. The morphological characters, identification keys, and fish intermediate hosts of 7 species (Heterophyes nocens, Heterophyopsis continua, Pygidiopsis summa, Stellantchasmus falcatus, Stictodora fuscata, Stictodora lari, and Acanthotrema felis) were also reviewed. The contents treated in this study will provide assistance at the laboratory bench level to those working on recovery of metacercariae from fish hosts and identifying them. PMID:19885326

Impaired color naming of food and body shape words: weight phobia or distinct affective state?

PubMed

Green, M W; Elliman, N A; Rogers, P J; Welch, D A

1997-01-01

The current study investigated whether a concern with body shape and weight represents a distinct affective state, or whether it is better conceptualized as a highly specific form of anxiety. The color-naming performance of women with a high Drive for Thinness score was examined under three experimental conditions: when a photograph of chocolate was present, when actual chocolate was present, and a control condition. High Drive for Thinness subjects demonstrated relatively impaired color naming of body shape words in the picture condition, but not in the food or control conditions. Although there was a significant impairment in the color naming of food words, this was unaffected by condition or degree of Drive for Thinness. The results are interpreted as supporting an analogy between weight/body shape concerns and subclinical phobic anxiety.

Large-deformation electrohydrodynamics of an elastic capsule in a DC electric field

NASA Astrophysics Data System (ADS)

Das, Sudip; Thaokar, Rochish M.

2018-04-01

The dynamics of a spherical elastic capsule, containing a Newtonian fluid bounded by an elastic membrane and immersed in another Newtonian fluid, in a uniform DC electric field is investigated. Discontinuity of electrical properties such as conductivities of the internal and external fluid media as well as capacitance and conductance of the membrane lead to a net interfacial Maxwell stress which can cause the deformation of such an elastic capsule. We investigate this problem considering well established membrane laws for a thin elastic membrane, with fully resolved hydrodynamics in the Stokes flow limit and describe the electrostatics using the capacitor model. In the limit of small deformation, the analytical theory predicts the dynamics fairly satisfactorily. Large deformations at high capillary number though necessitate a numerical approach (Boundary element method in the present case) to solve this highly non-linear problem. Akin to vesicles, at intermediate times, highly nonlinear biconcave shapes along with squaring and hexagon like shapes are observed when the outer medium is more conducting. The study identifies the essentiality of parameters such as high membrane capacitance, low membrane conductance, low hydrodynamic time scales and high capillary number for observation of these shape transitions. The transition is due to large compressive Maxwell stress at the poles at intermediate times. Thus such shape transition can be seen in spherical globules admitting electrical capacitance, possibly, irrespective of the nature of the interfacial restoring force.

Unique self-assembly properties of a bridge-shaped protein dimer with quantum dots

NASA Astrophysics Data System (ADS)

Wang, Jianhao; Jiang, Pengju; Gao, Liqian; Yu, Yongsheng; Lu, Yao; Qiu, Lin; Wang, Cheli; Xia, Jiang

2013-09-01

How protein-protein interaction affects protein-nanoparticle self-assembly is the key to the understanding of biomolecular coating of nanoparticle in biological fluids. However, the relationship between protein shape and its interaction with nanoparticles is still under-exploited because of lack of a well-conceived binding system and a method to detect the subtle change in the protein-nanoparticle assemblies. Noticing this unresolved need, we cloned and expressed a His-tagged SpeA protein that adopts a bridge-shaped dimer structure, and utilized a high-resolution capillary electrophoresis method to monitor assembly formation between the protein and quantum dots (QDs, 5 nm in diameter). We observed that the bridge-shaped structure rendered a low SpeA:QD stoichiometry at saturation. Also, close monitoring of imidazole (Im) displacement of surface-bound protein revealed a unique two-step process. High-concentration Im could displace surface-bound SpeA protein and form a transient QD-protein intermediate, through a kinetically controlled displacement process. An affinity-driven equilibrium step then followed, resulting in re-assembling of the QD-protein complex in about 1 h. Through a temporarily formed intermediate, Im causes a rearrangement of His-tagged proteins on the surface. Thus, our work showcases that the synergistic interplay between QD-His-tag interaction and protein-protein interaction can result in unique properties of protein-nanoparticle assembly for the first time.

Object-oriented approach to the automatic segmentation of bones from pediatric hand radiographs

NASA Astrophysics Data System (ADS)

Shim, Hyeonjoon; Liu, Brent J.; Taira, Ricky K.; Hall, Theodore R.

1997-04-01

The purpose of this paper is to develop a robust and accurate method that automatically segments phalangeal and epiphyseal bones from digital pediatric hand radiographs exhibiting various stages of growth. The development of this system draws principles from object-oriented design, model- guided analysis, and feedback control. A system architecture called 'the object segmentation machine' was implemented incorporating these design philosophies. The system is aided by a knowledge base where all model contours and other information such as age, race, and sex, are stored. These models include object structure models, shape models, 1-D wrist profiles, and gray level histogram models. Shape analysis is performed first by using an arc-length orientation transform to break down a given contour into elementary segments and curves. Then an interpretation tree is used as an inference engine to map known model contour segments to data contour segments obtained from the transform. Spatial and anatomical relationships among contour segments work as constraints from shape model. These constraints aid in generating a list of candidate matches. The candidate match with the highest confidence is chosen to be the current intermediate result. Verification of intermediate results are perform by a feedback control loop.

Exploring the Roles of Nucleobase Desolvation and Shape Complementarity during the Misreplication of O6-Methylguanine

PubMed Central

Chavarria, Delia; Ramos-Serrano, Andrea; Hirao, Ichiro; Berdis, Anthony J.

2011-01-01

O6-methylguanine is a miscoding DNA lesion arising from the alkylation of guanine. This report uses the bacteriophage T4 DNA polymerase as a model to probe the roles hydrogen-bonding interactions, shape/size, and nucleobase desolvation during the replication of this miscoding lesion. This was accomplished by using transient kinetic techniques to monitor the kinetic parameters for incorporating and extending natural and non-natural nucleotides. In general, the efficiency of nucleotide incorporation does not depend on the hydrogen-bonding potential of the incoming nucleotide. Instead, nucleobase hydrophobicity and shape complementarity appear to be the preeminent factors controlling nucleotide incorporation. In addition, shape complementarity plays a large role in controlling the extension of various mispairs containing O6-methylguanine. This is evident as the rate constants for extension correlate with proper interglycosyl distances and symmetry between the base angles of the formed mispair. Base pairs not conforming to an acceptable geometry within the polymerase’s active site are refractory to elongation and are processed via exonuclease proofreading. The collective data set encompassing nucleotide incorporation, extension, and excision is used to generate a model accounting for the mutagenic potential of O6-methylguanine observed in vivo. In addition, kinetic studies monitoring the incorporation and extension of non-natural nucleotides identified an analog that displays high selectivity for incorporation opposite O6-methylguanine compared to unmodified purines. The unusual selectivity of this analog for replicating damaged DNA provides a novel biochemical tool to study translesion DNA synthesis. PMID:21819995

Using the Analogue Input Port on the BBC Microcomputer: Some General Principles and a Specific Example.

ERIC Educational Resources Information Center

Millar, R. H.; Underwood, C. I.

1984-01-01

Discusses an easy way of interfacing physics experiments to a microcomputer, providing information on the "analog input port" of a BBC microcomputer. Also describes a capacitor discharge experiment with suggestions for several student activities such as investigating decay curve shapes. Program listing is available from author. (DH)

A Methodology to Teach Advanced A/D Converters, Combining Digital Signal Processing and Microelectronics Perspectives

ERIC Educational Resources Information Center

Quintans, C.; Colmenar, A.; Castro, M.; Moure, M. J.; Mandado, E.

2010-01-01

ADCs (analog-to-digital converters), especially Pipeline and Sigma-Delta converters, are designed using complex architectures in order to increase their sampling rate and/or resolution. Consequently, the learning of ADC devices also encompasses complex concepts such as multistage synchronization, latency, oversampling, modulation, noise shaping,…

Nanoindentation of the surface layer of Hadfield's steel after sliding friction

NASA Astrophysics Data System (ADS)

Kolubaev, A. V.; Kolubaev, E. A.; Sizova, O. V.

2007-12-01

We have measured the nanohardness of a deformed near-surface layer of Hadfield’s steel upon friction testing. The phenomenon of shape recovery upon indentation has been observed, which is retained for several days after tribological tests. It s suggested that the strained material exhibits behavior analogous to nonlinear elasticity.

Implicit Schemata and Categories in Memory-Based Language Processing

ERIC Educational Resources Information Center

van den Bosch, Antal; Daelemans, Walter

2013-01-01

Memory-based language processing (MBLP) is an approach to language processing based on exemplar storage during learning and analogical reasoning during processing. From a cognitive perspective, the approach is attractive as a model for human language processing because it does not make any assumptions about the way abstractions are shaped, nor any…

Shaping the breast in secondary microsurgical breast reconstruction: single- vs. two-esthetic unit reconstruction.

PubMed

Gravvanis, Andreas; Smith, Roger W

2010-10-01

The esthetic outcome is dictated essentially not only by the position, size, and shape of the reconstructed breast, but also by the extra scaring involved. In the present study, we conducted a visual analog scale survey to compare the esthetic outcome in delayed autologous breast reconstruction following two different abdominal flaps inset. Twenty-five patients had their reconstruction using the Single-esthetic Unit principle and were compared with 25 patients that their breast was reconstructed using the Two-Esthetic Unit principle. Photographic images were formulated to a PowerPoint presentation and cosmetic outcomes were assessed from 30 physicians, by means of a Questionnaire and a visual analog scale. Our data showed that the single-esthetic unit breast reconstruction presents significant advantages over the traditional two-esthetic units, due to inconspicuous flap reconstruction, better position of the inframammary fold, and more natural transition from native and reconstructed tissues. Moreover, patient self-evaluation of esthetic outcome and quality of life showed that single-esthetic unit reconstruction is associated with higher patient satisfaction, therefore should be considered the method of choice. © 2010 Wiley-Liss, Inc.

Effect of the Basic Residue on the Energetics, Dynamics and Mechanisms of Gas- Phase Fragmentation of Protonated Peptides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Laskin, Julia; Yang, Zhibo; Song, Tao

2010-11-17

The effect of the basic residue on the energetics, dynamics and mechanisms of backbone fragmentation of protonated peptides was investigated. Time- and collision energy-resolved surface-induced dissociation (SID) of singly protonated peptides with the N-terminal arginine residue and their analogs, in which arginine is replaced with less basic lysine and histidine residues was examined using in a specially configured Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS). SID experiments demonstrated very different kinetics of formation of several primary product ions of peptides with and without arginine residue. The energetics and dynamics of these pathways were determined from the RRKM modelingmore » of the experimental data. Comparison between the kinetics and energetics of fragmentation of arginine-containing peptides and the corresponding methyl ester derivatives provides important information on the effect of dissociation pathways involving salt bridge (SB) intermediates on the observed fragmentation behavior. It is found that because pathways involving SB intermediates are characterized by low threshold energies, they efficiently compete with classical oxazolone pathways of arginine-containing peptides on a long timescale of the FT-ICR instrument. In contrast, fragmentation of histidine- and lysine-containing peptides is largely determined by classical oxazolone pathways. Because SB pathways are characterized by negative activation entropies, fragmentation of arginine-containing peptides is kinetically hindered and observed at higher collision energies as compared to their lysine- and histidine-containing analogs.« less

Search for gravitational radiation from intermediate mass black hole binaries in data from the second LIGO-Virgo joint science run

NASA Astrophysics Data System (ADS)

Aasi, J.; Abbott, B. P.; Abbott, R.; Abbott, T.; Abernathy, M. R.; Accadia, T.; Acernese, F.; Ackley, K.; Adams, C.; Adams, T.; Addesso, P.; Adhikari, R. X.; Affeldt, C.; Agathos, M.; Aggarwal, N.; Aguiar, O. D.; Ain, A.; Ajith, P.; Alemic, A.; Allen, B.; Allocca, A.; Amariutei, D.; Andersen, M.; Anderson, R.; Anderson, S. B.; Anderson, W. G.; Arai, K.; Araya, M. C.; Arceneaux, C.; Areeda, J.; Aston, S. M.; Astone, P.; Aufmuth, P.; Aulbert, C.; Austin, L.; Aylott, B. E.; Babak, S.; Baker, P. T.; Ballardin, G.; Ballmer, S. W.; Barayoga, J. C.; Barbet, M.; Barish, B. C.; Barker, D.; Barone, F.; Barr, B.; Barsotti, L.; Barsuglia, M.; Barton, M. A.; Bartos, I.; Bassiri, R.; Basti, A.; Batch, J. C.; Bauchrowitz, J.; Bauer, Th. S.; Bavigadda, V.; Behnke, B.; Bejger, M.; Beker, M. G.; Belczynski, C.; Bell, A. S.; Bell, C.; Bergmann, G.; Bersanetti, D.; Bertolini, A.; Betzwieser, J.; Beyersdorf, P. T.; Bilenko, I. A.; Billingsley, G.; Birch, J.; Biscans, S.; Bitossi, M.; Bizouard, M. A.; Black, E.; Blackburn, J. K.; Blackburn, L.; Blair, D.; Bloemen, S.; Blom, M.; Bock, O.; Bodiya, T. P.; Boer, M.; Bogaert, G.; Bogan, C.; Bond, C.; Bondu, F.; Bonelli, L.; Bonnand, R.; Bork, R.; Born, M.; Boschi, V.; Bose, Sukanta; Bosi, L.; Bradaschia, C.; Brady, P. R.; Braginsky, V. B.; Branchesi, M.; Brau, J. E.; Briant, T.; Bridges, D. O.; Brillet, A.; Brinkmann, M.; Brisson, V.; Brooks, A. F.; Brown, D. A.; Brown, D. D.; Brückner, F.; Buchman, S.; Bulik, T.; Bulten, H. J.; Buonanno, A.; Burman, R.; Buskulic, D.; Buy, C.; Cadonati, L.; Cagnoli, G.; Calderón Bustillo, J.; Calloni, E.; Camp, J. B.; Campsie, P.; Cannon, K. C.; Canuel, B.; Cao, J.; Capano, C. D.; Carbognani, F.; Carbone, L.; Caride, S.; Castiglia, A.; Caudill, S.; Cavaglià, M.; Cavalier, F.; Cavalieri, R.; Celerier, C.; Cella, G.; Cepeda, C.; Cesarini, E.; Chakraborty, R.; Chalermsongsak, T.; Chamberlin, S. J.; Chao, S.; Charlton, P.; Chassande-Mottin, E.; Chen, X.; Chen, Y.; Chincarini, A.; Chiummo, A.; Cho, H. S.; Chow, J.; Christensen, N.; Chu, Q.; Chua, S. S. Y.; Chung, S.; Ciani, G.; Clara, F.; Clark, J. A.; Cleva, F.; Coccia, E.; Cohadon, P.-F.; Colla, A.; Collette, C.; Colombini, M.; Cominsky, L.; Constancio, M.; Conte, A.; Cook, D.; Corbitt, T. R.; Cordier, M.; Cornish, N.; Corpuz, A.; Corsi, A.; Costa, C. A.; Coughlin, M. W.; Coughlin, S.; Coulon, J.-P.; Countryman, S.; Couvares, P.; Coward, D. M.; Cowart, M.; Coyne, D. C.; Coyne, R.; Craig, K.; Creighton, J. D. E.; Crowder, S. G.; Cumming, A.; Cunningham, L.; Cuoco, E.; Dahl, K.; Canton, T. Dal; Damjanic, M.; Danilishin, S. L.; D'Antonio, S.; Danzmann, K.; Dattilo, V.; Daveloza, H.; Davier, M.; Davies, G. S.; Daw, E. J.; Day, R.; Dayanga, T.; Debreczeni, G.; Degallaix, J.; Deléglise, S.; Del Pozzo, W.; Denker, T.; Dent, T.; Dereli, H.; Dergachev, V.; De Rosa, R.; DeRosa, R. T.; DeSalvo, R.; Dhurandhar, S.; Díaz, M.; Di Fiore, L.; Di Lieto, A.; Di Palma, I.; Di Virgilio, A.; Donath, A.; Donovan, F.; Dooley, K. L.; Doravari, S.; Dossa, S.; Douglas, R.; Downes, T. P.; Drago, M.; Drever, R. W. P.; Driggers, J. C.; Du, Z.; Ducrot, M.; Dwyer, S.; Eberle, T.; Edo, T.; Edwards, M.; Effler, A.; Eggenstein, H.; Ehrens, P.; Eichholz, J.; Eikenberry, S. S.; Endrőczi, G.; Essick, R.; Etzel, T.; Evans, M.; Evans, T.; Factourovich, M.; Fafone, V.; Fairhurst, S.; Fang, Q.; Farinon, S.; Farr, B.; Farr, W. M.; Favata, M.; Fehrmann, H.; Fejer, M. M.; Feldbaum, D.; Feroz, F.; Ferrante, I.; Ferrini, F.; Fidecaro, F.; Finn, L. S.; Fiori, I.; Fisher, R. P.; Flaminio, R.; Fournier, J.-D.; Franco, S.; Frasca, S.; Frasconi, F.; Frede, M.; Frei, Z.; Freise, A.; Frey, R.; Fricke, T. T.; Fritschel, P.; Frolov, V. V.; Fulda, P.; Fyffe, M.; Gair, J.; Gammaitoni, L.; Gaonkar, S.; Garufi, F.; Gehrels, N.; Gemme, G.; Genin, E.; Gennai, A.; Ghosh, S.; Giaime, J. A.; Giardina, K. D.; Giazotto, A.; Gill, C.; Gleason, J.; Goetz, E.; Goetz, R.; Gondan, L.; González, G.; Gordon, N.; Gorodetsky, M. L.; Gossan, S.; Goßler, S.; Gouaty, R.; Gräf, C.; Graff, P. B.; Granata, M.; Grant, A.; Gras, S.; Gray, C.; Greenhalgh, R. J. S.; Gretarsson, A. M.; Groot, P.; Grote, H.; Grover, K.; Grunewald, S.; Guidi, G. M.; Guido, C.; Gushwa, K.; Gustafson, E. K.; Gustafson, R.; Hammer, D.; Hammond, G.; Hanke, M.; Hanks, J.; Hanna, C.; Hanson, J.; Harms, J.; Harry, G. M.; Harry, I. W.; Harstad, E. D.; Hart, M.; Hartman, M. T.; Haster, C.-J.; Haughian, K.; Heidmann, A.; Heintze, M.; Heitmann, H.; Hello, P.; Hemming, G.; Hendry, M.; Heng, I. S.; Heptonstall, A. W.; Heurs, M.; Hewitson, M.; Hild, S.; Hoak, D.; Hodge, K. A.; Holt, K.; Hooper, S.; Hopkins, P.; Hosken, D. J.; Hough, J.; Howell, E. J.; Hu, Y.; Huerta, E.; Hughey, B.; Husa, S.; Huttner, S. H.; Huynh, M.; Huynh-Dinh, T.; Ingram, D. R.; Inta, R.; Isogai, T.; Ivanov, A.; Iyer, B. R.; Izumi, K.; Jacobson, M.; James, E.; Jang, H.; Jaranowski, P.; Ji, Y.; Jiménez-Forteza, F.; Johnson, W. W.; Jones, D. I.; Jones, R.; Jonker, R. J. G.; Ju, L.; K, Haris; Kalmus, P.; Kalogera, V.; Kandhasamy, S.; Kang, G.; Kanner, J. B.; Karlen, J.; Kasprzack, M.; Katsavounidis, E.; Katzman, W.; Kaufer, H.; Kawabe, K.; Kawazoe, F.; Kéfélian, F.; Keiser, G. M.; Keitel, D.; Kelley, D. B.; Kells, W.; Khalaidovski, A.; Khalili, F. Y.; Khazanov, E. A.; Kim, C.; Kim, K.; Kim, N. G.; Kim, N.; Kim, Y.-M.; King, E. J.; King, P. J.; Kinzel, D. L.; Kissel, J. S.; Klimenko, S.; Kline, J.; Koehlenbeck, S.; Kokeyama, K.; Kondrashov, V.; Koranda, S.; Korth, W. Z.; Kowalska, I.; Kozak, D. B.; Kremin, A.; Kringel, V.; Krishnan, B.; Królak, A.; Kuehn, G.; Kumar, A.; Kumar, P.; Kumar, R.; Kuo, L.; Kutynia, A.; Kwee, P.; Landry, M.; Lantz, B.; Larson, S.; Lasky, P. D.; Lawrie, C.; Lazzarini, A.; Lazzaro, C.; Leaci, P.; Leavey, S.; Lebigot, E. O.; Lee, C.-H.; Lee, H. K.; Lee, H. M.; Lee, J.; Leonardi, M.; Leong, J. R.; Le Roux, A.; Leroy, N.; Letendre, N.; Levin, Y.; Levine, B.; Lewis, J.; Li, T. G. F.; Libbrecht, K.; Libson, A.; Lin, A. C.; Littenberg, T. B.; Litvine, V.; Lockerbie, N. A.; Lockett, V.; Lodhia, D.; Loew, K.; Logue, J.; Lombardi, A. L.; Lorenzini, M.; Loriette, V.; Lormand, M.; Losurdo, G.; Lough, J.; Lubinski, M. J.; Lück, H.; Luijten, E.; Lundgren, A. P.; Lynch, R.; Ma, Y.; Macarthur, J.; Macdonald, E. P.; MacDonald, T.; Machenschalk, B.; MacInnis, M.; Macleod, D. M.; Magana-Sandoval, F.; Mageswaran, M.; Maglione, C.; Mailand, K.; Majorana, E.; Maksimovic, I.; Malvezzi, V.; Man, N.; Manca, G. M.; Mandel, I.; Mandic, V.; Mangano, V.; Mangini, N.; Mantovani, M.; Marchesoni, F.; Marion, F.; Márka, S.; Márka, Z.; Markosyan, A.; Maros, E.; Marque, J.; Martelli, F.; Martin, I. W.; Martin, R. M.; Martinelli, L.; Martynov, D.; Marx, J. N.; Mason, K.; Masserot, A.; Massinger, T. J.; Matichard, F.; Matone, L.; Matzner, R. A.; Mavalvala, N.; Mazumder, N.; Mazzolo, G.; McCarthy, R.; McClelland, D. E.; McGuire, S. C.; McIntyre, G.; McIver, J.; McLin, K.; Meacher, D.; Meadors, G. D.; Mehmet, M.; Meidam, J.; Meinders, M.; Melatos, A.; Mendell, G.; Mercer, R. A.; Meshkov, S.; Messenger, C.; Meyers, P.; Miao, H.; Michel, C.; Mikhailov, E. E.; Milano, L.; Milde, S.; Miller, J.; Minenkov, Y.; Mingarelli, C. M. F.; Mishra, C.; Mitra, S.; Mitrofanov, V. P.; Mitselmakher, G.; Mittleman, R.; Moe, B.; Moesta, P.; Moggi, A.; Mohan, M.; Mohapatra, S. R. P.; Moraru, D.; Moreno, G.; Morgado, N.; Morriss, S. R.; Mossavi, K.; Mours, B.; Mow-Lowry, C. M.; Mueller, C. L.; Mueller, G.; Mukherjee, S.; Mullavey, A.; Munch, J.; Murphy, D.; Murray, P. G.; Mytidis, A.; Nagy, M. F.; Nanda Kumar, D.; Nardecchia, I.; Naticchioni, L.; Nayak, R. K.; Necula, V.; Nelemans, G.; Neri, I.; Neri, M.; Newton, G.; Nguyen, T.; Nitz, A.; Nocera, F.; Nolting, D.; Normandin, M. E. N.; Nuttall, L. K.; Ochsner, E.; O'Dell, J.; Oelker, E.; Oh, J. J.; Oh, S. H.; Ohme, F.; Oppermann, P.; O'Reilly, B.; O'Shaughnessy, R.; Osthelder, C.; Ottaway, D. J.; Ottens, R. S.; Overmier, H.; Owen, B. J.; Padilla, C.; Pai, A.; Palashov, O.; Palomba, C.; Pan, H.; Pan, Y.; Pankow, C.; Paoletti, F.; Papa, M. A.; Paris, H.; Pasqualetti, A.; Passaquieti, R.; Passuello, D.; Pedraza, M.; Penn, S.; Perreca, A.; Phelps, M.; Pichot, M.; Pickenpack, M.; Piergiovanni, F.; Pierro, V.; Pinard, L.; Pinto, I. M.; Pitkin, M.; Poeld, J.; Poggiani, R.; Poteomkin, A.; Powell, J.; Prasad, J.; Premachandra, S.; Prestegard, T.; Price, L. R.; Prijatelj, M.; Privitera, S.; Prodi, G. A.; Prokhorov, L.; Puncken, O.; Punturo, M.; Puppo, P.; Qin, J.; Quetschke, V.; Quintero, E.; Quiroga, G.; Quitzow-James, R.; Raab, F. J.; Rabeling, D. S.; Rácz, I.; Radkins, H.; Raffai, P.; Raja, S.; Rajalakshmi, G.; Rakhmanov, M.; Ramet, C.; Ramirez, K.; Rapagnani, P.; Raymond, V.; Re, V.; Read, J.; Reed, C. M.; Regimbau, T.; Reid, S.; Reitze, D. H.; Rhoades, E.; Ricci, F.; Riles, K.; Robertson, N. A.; Robinet, F.; Rocchi, A.; Rodruck, M.; Rolland, L.; Rollins, J. G.; Romano, R.; Romanov, G.; Romie, J. H.; Rosińska, D.; Rowan, S.; Rüdiger, A.; Ruggi, P.; Ryan, K.; Salemi, F.; Sammut, L.; Sandberg, V.; Sanders, J. R.; Sannibale, V.; Santiago-Prieto, I.; Saracco, E.; Sassolas, B.; Sathyaprakash, B. S.; Saulson, P. R.; Savage, R.; Scheuer, J.; Schilling, R.; Schnabel, R.; Schofield, R. M. S.; Schreiber, E.; Schuette, D.; Schutz, B. F.; Scott, J.; Scott, S. M.; Sellers, D.; Sengupta, A. S.; Sentenac, D.; Sequino, V.; Sergeev, A.; Shaddock, D.; Shah, S.; Shahriar, M. S.; Shaltev, M.; Shapiro, B.; Shawhan, P.; Shoemaker, D. H.; Sidery, T. L.; Siellez, K.; Siemens, X.; Sigg, D.; Simakov, D.; Singer, A.; Singer, L.; Singh, R.; Sintes, A. M.; Slagmolen, B. J. J.; Slutsky, J.; Smith, J. R.; Smith, M.; Smith, R. J. E.; Smith-Lefebvre, N. D.; Son, E. J.; Sorazu, B.; Souradeep, T.; Staley, A.; Stebbins, J.; Steinlechner, J.; Steinlechner, S.; Stephens, B. C.; Steplewski, S.; Stevenson, S.; Stone, R.; Stops, D.; Strain, K. A.; Straniero, N.; Strigin, S.; Sturani, R.; Stuver, A. L.; Summerscales, T. Z.; Susmithan, S.; Sutton, P. J.; Swinkels, B.; Tacca, M.; Talukder, D.; Tanner, D. B.; Tarabrin, S. P.; Taylor, R.; ter Braack, A. P. M.; Thirugnanasambandam, M. P.; Thomas, M.; Thomas, P.; Thorne, K. A.; Thorne, K. S.; Thrane, E.; Tiwari, V.; Tokmakov, K. V.; Tomlinson, C.; Tonelli, M.; Torres, C. V.; Torrie, C. I.; Travasso, F.; Traylor, G.; Tse, M.; Ugolini, D.; Unnikrishnan, C. S.; Urban, A. L.; Urbanek, K.; Vahlbruch, H.; Vajente, G.; Valdes, G.; Vallisneri, M.; van Beuzekom, M.; van den Brand, J. F. J.; Van Den Broeck, C.; van der Putten, S.; van der Sluys, M. V.; van Heijningen, J.; van Veggel, A. A.; Vass, S.; Vasúth, M.; Vaulin, R.; Vecchio, A.; Vedovato, G.; Veitch, J.; Veitch, P. J.; Venkateswara, K.; Verkindt, D.; Verma, S. S.; Vetrano, F.; Viceré, A.; Vincent-Finley, R.; Vinet, J.-Y.; Vitale, S.; Vo, T.; Vocca, H.; Vorvick, C.; Vousden, W. D.; Vyachanin, S. P.; Wade, A.; Wade, L.; Wade, M.; Walker, M.; Wallace, L.; Wang, M.; Wang, X.; Ward, R. L.; Was, M.; Weaver, B.; Wei, L.-W.; Weinert, M.; Weinstein, A. J.; Weiss, R.; Welborn, T.; Wen, L.; Wessels, P.; West, M.; Westphal, T.; Wette, K.; Whelan, J. T.; White, D. J.; Whiting, B. F.; Wiesner, K.; Wilkinson, C.; Williams, K.; Williams, L.; Williams, R.; Williams, T.; Williamson, A. R.; Willis, J. L.; Willke, B.; Wimmer, M.; Winkler, W.; Wipf, C. C.; Wiseman, A. G.; Wittel, H.; Woan, G.; Worden, J.; Yablon, J.; Yakushin, I.; Yamamoto, H.; Yancey, C. C.; Yang, H.; Yang, Z.; Yoshida, S.; Yvert, M.; ZadroŻny, A.; Zanolin, M.; Zendri, J.-P.; Zhang, Fan; Zhang, L.; Zhao, C.; Zhu, X. J.; Zucker, M. E.; Zuraw, S.; Zweizig, J.; LIGO Scientific Collaboration; Virgo Collaboration

2014-06-01

This paper reports on an unmodeled, all-sky search for gravitational waves from merging intermediate mass black hole binaries (IMBHB). The search was performed on data from the second joint science run of the LIGO and Virgo detectors (July 2009-October 2010) and was sensitive to IMBHBs with a range up to ˜200 Mpc, averaged over the possible sky positions and inclinations of the binaries with respect to the line of sight. No significant candidate was found. Upper limits on the coalescence-rate density of nonspinning IMBHBs with total masses between 100 and 450 M⊙ and mass ratios between 0.25 and 1 were placed by combining this analysis with an analogous search performed on data from the first LIGO-Virgo joint science run (November 2005-October 2007). The most stringent limit was set for systems consisting of two 88 M⊙ black holes and is equal to 0.12 Mpc-3 Myr-1 at the 90% confidence level. This paper also presents the first estimate, for the case of an unmodeled analysis, of the impact on the search range of IMBHB spin configurations: the visible volume for IMBHBs with nonspinning components is roughly doubled for a population of IMBHBs with spins aligned with the binary's orbital angular momentum and uniformly distributed in the dimensionless spin parameter up to 0.8, whereas an analogous population with antialigned spins decreases the visible volume by ˜20%.

Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site.

PubMed

Wang, Lu; Fried, Stephen D; Boxer, Steven G; Markland, Thomas E

2014-12-30

Enzymes use protein architectures to create highly specialized structural motifs that can greatly enhance the rates of complex chemical transformations. Here, we use experiments, combined with ab initio simulations that exactly include nuclear quantum effects, to show that a triad of strongly hydrogen-bonded tyrosine residues within the active site of the enzyme ketosteroid isomerase (KSI) facilitates quantum proton delocalization. This delocalization dramatically stabilizes the deprotonation of an active-site tyrosine residue, resulting in a very large isotope effect on its acidity. When an intermediate analog is docked, it is incorporated into the hydrogen-bond network, giving rise to extended quantum proton delocalization in the active site. These results shed light on the role of nuclear quantum effects in the hydrogen-bond network that stabilizes the reactive intermediate of KSI, and the behavior of protons in biological systems containing strong hydrogen bonds.

Quantum delocalization of protons in the hydrogen-bond network of an enzyme active site

PubMed Central

Wang, Lu; Fried, Stephen D.; Boxer, Steven G.; Markland, Thomas E.

2014-01-01

Enzymes use protein architectures to create highly specialized structural motifs that can greatly enhance the rates of complex chemical transformations. Here, we use experiments, combined with ab initio simulations that exactly include nuclear quantum effects, to show that a triad of strongly hydrogen-bonded tyrosine residues within the active site of the enzyme ketosteroid isomerase (KSI) facilitates quantum proton delocalization. This delocalization dramatically stabilizes the deprotonation of an active-site tyrosine residue, resulting in a very large isotope effect on its acidity. When an intermediate analog is docked, it is incorporated into the hydrogen-bond network, giving rise to extended quantum proton delocalization in the active site. These results shed light on the role of nuclear quantum effects in the hydrogen-bond network that stabilizes the reactive intermediate of KSI, and the behavior of protons in biological systems containing strong hydrogen bonds. PMID:25503367

Degradation and mineralization of 2,4,6-trinitroresorcine in various photochemical systems.

PubMed

Khue, Do Ngoc; Chat, Nguyen Van; Minh, Do Binh; Lam, Tran Dai; Lan, Pham Hong; Loi, Vu Duc

2013-05-01

Comparison was observed for degradation and mineralization of the explosive 2,4,6-trinitroresorcine (TNR) in different photochemical systems TNR/UV, TNR/UV/TiO2, TNR/UV/H2O2, TNR/UV/O3, TNR/UV/TiO2/H2O2 and TNR/UV/TiO2/O3 using High Performance Liquid Chromatography coupled with Mass Spectrometry (HPLC/MS) and Total Organic Carbon (TOC) analysis. Addition of oxidizing agents such as H2O2 or O3 accelerated the rate of TNR conversion and mineralization. Highest reaction rate was obtained in TNR/UV/TiO2/H2O2 system. The intermediate products were characterized and identified by LS-MS technique. The similarity in intermediate products of TNR suggested the analogous reaction pathways of the TNR degradation by these different systems. Copyright © 2013 Elsevier B.V. All rights reserved.

Top predators induce the evolutionary diversification of intermediate predator species.

PubMed

Zu, Jian; Yuan, Bo; Du, Jianqiang

2015-12-21

We analyze the evolutionary branching phenomenon of intermediate predator species in a tritrophic food chain model by using adaptive dynamics theory. Specifically, we consider the adaptive diversification of an intermediate predator species that feeds on a prey species and is fed upon by a top predator species. We assume that the intermediate predator׳s ability to forage on the prey can adaptively improve, but this comes at the cost of decreased defense ability against the top predator. First, we identify the general properties of trade-off relationships that lead to a continuously stable strategy or to evolutionary branching in the intermediate predator species. We find that if there is an accelerating cost near the singular strategy, then that strategy is continuously stable. In contrast, if there is a mildly decelerating cost near the singular strategy, then that strategy may be an evolutionary branching point. Second, we find that after branching has occurred, depending on the specific shape and strength of the trade-off relationship, the intermediate predator species may reach an evolutionarily stable dimorphism or one of the two resultant predator lineages goes extinct. Crown Copyright © 2015. Published by Elsevier Ltd. All rights reserved.

Geometric representation of spin correlations and applications to ultracold systems

NASA Astrophysics Data System (ADS)

Mukherjee, Rick; Mirasola, Anthony E.; Hollingsworth, Jacob; White, Ian G.; Hazzard, Kaden R. A.

2018-04-01

We provide a one-to-one map between the spin correlations and certain three-dimensional shapes, analogous to the map between single spins and Bloch vectors, and demonstrate its utility. Much as one can reason geometrically about dynamics using a Bloch vector—e.g., a magnetic field causes it to precess and dissipation causes it to shrink—one can reason similarly about the shapes we use to visualize correlations. This visualization demonstrates its usefulness by unveiling the hidden structure in the correlations. For example, seemingly complex correlation dynamics can be described as simple motions of the shapes. We demonstrate the simplicity of the dynamics, which is obscured in conventional analyses, by analyzing several physical systems of relevance to cold atoms.

Design and implementation of JOM-3 Overhauser magnetometer analog circuit

NASA Astrophysics Data System (ADS)

Zhang, Xiao; Jiang, Xue; Zhao, Jianchang; Zhang, Shuang; Guo, Xin; Zhou, Tingting

2017-09-01

Overhauser magnetometer, a kind of static-magnetic measurement system based on the Overhauser effect, has been widely used in archaeological exploration, mineral resources exploration, oil and gas basin structure detection, prediction of engineering exploration environment, earthquakes and volcanic eruotions, object magnetic measurement and underground buried booty exploration. Overhauser magnetometer plays an important role in the application of magnetic field measurement for its characteristics of small size, low power consumption and high sensitivity. This paper researches the design and the application of the analog circuit of JOM-3 Overhauser magnetometer. First, the Larmor signal output by the probe is very weak. In order to obtain the signal with high signal to noise rstio(SNR), the design of pre-amplifier circuit is the key to improve the quality of the system signal. Second, in this paper, the effectual step which could improve the frequency characters of bandpass filter amplifier circuit were put forward, and theoretical analysis was made for it. Third, the shaping circuit shapes the amplified sine signal into a square wave signal which is suitable for detecting the rising edge. Fourth, this design elaborated the optimized choice of tuning circuit, so the measurement range of the magnetic field can be covered. Last, integrated analog circuit testing system was formed to detect waveform of each module. By calculating the standard deviation, the sensitivity of the improved Overhauser magnetometer is 0.047nT for Earth's magnetic field observation. Experimental results show that the new magnetometer is sensitive to earth field measurement.

Thiamin diphosphate-dependent enzymes: from enzymology to metabolic regulation, drug design and disease models.

PubMed

Bunik, Victoria I; Tylicki, Adam; Lukashev, Nikolay V

2013-12-01

Bringing a knowledge of enzymology into research in vivo and in situ is of great importance in understanding systems biology and metabolic regulation. The central metabolic significance of thiamin (vitamin B1 ) and its diphosphorylated derivative (thiamin diphosphate; ThDP), and the fundamental differences in the ThDP-dependent enzymes of metabolic networks in mammals versus plants, fungi and bacteria, or in health versus disease, suggest that these enzymes are promising targets for biotechnological and medical applications. Here, the in vivo action of known regulators of ThDP-dependent enzymes, such as synthetic structural analogs of the enzyme substrates and thiamin, is analyzed in light of the enzymological data accumulated during half a century of research. Mimicking the enzyme-specific catalytic intermediates, the phosphonate analogs of 2-oxo acids selectively inhibit particular ThDP-dependent enzymes. Because of their selectivity, use of these compounds in cellular and animal models of ThDP-dependent enzyme malfunctions improves the validity of the model and its predictive power when compared with the nonselective and enzymatically less characterized oxythiamin and pyrithiamin. In vitro studies of the interaction of thiamin analogs and their biological derivatives with potential in vivo targets are necessary to identify and attenuate the analog selectivity. For both the substrate and thiamin synthetic analogs, in vitro reactivities with potential targets are highly relevant in vivo. However, effective concentrations in vivo are often higher than in vitro studies would suggest. The significance of specific inihibition of the ThDP-dependent enzymes for the development of herbicides, antibiotics, anticancer and neuroprotective strategies is discussed. © 2013 FEBS.

Origin and heterogeneity of HDL subspecies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nichols, A.V.; Gong, E.L.; Blanche, P.J.

1987-09-01

A major determinant of mature HDL particle size and apolar core content, in the absence of remodeling factors, is most likely the size and apolipoprotein content of the precursor particle. Depending on the number of apoA-I molecules per analog particle, the LCAT-induced transformation follows either a fusion pathway (for precursors with 2 apoA-I per particle) or a pathway (for precursors with more than 2 apoA-I per particle) that conserves the apolipoprotein number. According to our analog results, small nascent HDL probably serve as precursors to the major (apoA-I without apoA-II)-subpopulation in the size interval. Our studies with the large discoidalmore » analog suggest that HDL/sub 2/ (apoA-I without apoA-II)-subpopulations probably originate from the large discoidal nascent HDL that contain a higher number of apolipoprotein molecules per particle than the small nascent HDL. Intermediate transformation products of the large discoidal analog, described in the present study, resemble deformable species found in human lymph and are characterized by a relatively high surface-to-core lipid ratio. Whether large discoidal precursors containing apoE transform in comparable manner but with eventual interchange of apoA-I for apoE (10,15) is under investigation in our laboratory. Likewise, detailed delineation of pathways whereby the (apoA-I with apoA-II)-HDL subpopulations are formed is yet to be accomplished. 23 refs., 6 figs., 2 tabs.« less

Entropyology: the application of bioinformatics and data modeling to digital virus and malware recognition

NASA Astrophysics Data System (ADS)

Jaenisch, Holger M.; Handley, James W.

2010-04-01

Malware are analogs of viruses. Viruses are comprised of large numbers of polypeptide proteins. The shape and function of the protein strands determines the functionality of the segment, similar to a subroutine in malware. The full combination of subroutines is the malware organism, in analogous fashion as a collection of polypeptides forms protein structures that are information bearing. We propose to apply the methods of Bioinformatics to analyze malware to provide a rich feature set for creating a unique and novel detection and classification scheme that is originally applied to Bioinformatics amino acid sequencing. Our proposed methods enable real time in situ (in contrast to in vivo) detection applications.

Gravitational polarizability of black holes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Damour, Thibault; Lecian, Orchidea Maria; APC, UMR 7164 du CNRS, Universite Paris 7, 10, rue Alice Domon et Leonie Duquet, 75205 Paris Cedex 13

The gravitational polarizability properties of black holes are compared and contrasted with their electromagnetic polarizability properties. The 'shape' or 'height' multipolar Love numbers h{sub l} of a black hole are defined and computed. They are then compared to their electromagnetic analogs h{sub l}{sup EM}. The Love numbers h{sub l} give the height of the lth multipolar 'tidal bulge' raised on the horizon of a black hole by faraway masses. We also discuss the shape of the tidal bulge raised by a test-mass m, in the limit where m gets very close to the horizon.

Finite element analysis of Mercury slosh in the solar electric propulsion stage

NASA Technical Reports Server (NTRS)

Singh, J. N.

1975-01-01

The static equilibrium shapes of the neoprene bladder have been established corresponding to various ullage and gravity configurations under specified boundary conditions. The hemispherical bladder is taken to be attached at the diametral plane of the sphere with zero relative slope. With these shapes, the spherical tank with bladder and mercury has been modeled as an assemblage of finite elements. The properties of these elements have then been calculated using a linear displacement field. The dynamic characteristics were obtained to be used to define a mechanical analog which will reproduce the sloshing phenomenon of the system.

Modeling of DNA-Mediated Self-Assembly from Anisotropic Nanoparticles: A Molecular Dynamics Study

NASA Astrophysics Data System (ADS)

Millan, Jaime; Girard, Martin; Brodin, Jeffrey; O'Brien, Matt; Mirkin, Chad; Olvera de La Cruz, Monica

The programmable selectivity of DNA recognition constitutes an elegant scheme to self-assemble a rich variety of superlattices from versatile nanoscale building blocks, where the natural interactions between building blocks are traded by complementary DNA hybridization interactions. Recently, we introduced and validated a scale-accurate coarse-grained model for a molecular dynamics approach that captures the dynamic nature of DNA hybridization events and reproduces the experimentally-observed crystallization behavior of various mixtures of spherical DNA-modified nanoparticles. Here, we have extended this model to robustly reproduce the assembly of nanoparticles with the anisotropic shapes observed experimentally. In particular, we are interested in two different particle types: (i) regular shapes, namely the cubic and octahedral polyhedra shapes commonly observed in gold nanoparticles, and (ii) irregular shapes akin to those exhibited by enzymes. Anisotropy in shape can provide an analog to the atomic orbitals exhibited by conventional atomic crystals. We present results for the assembly of enzymes or anisotropic nanoparticles and the co-assembly of enzymes and nanoparticles.

Effects of star-shape poly(alkyl methacrylate) arm uniformity on lubricant properties

DOE PAGES

Robinson, Joshua W.; Qu, Jun; Erck, Robert; ...

2016-03-29

Star-shaped poly(alkyl methacrylate)s (PAMAs) were prepared and blended into an additive-free engine oil to assess the structure property relationship between macromolecular structure and lubricant performance. These additives were designed with a comparable number of repeating units per arm and the number of arms was varied between 3 and 6. Well-defined star-shaped PAMAs were synthesized by atom transfer radical polymerization (ATRP) via a core-first strategy from multi-functional headgroups. Observations of the polymer-oil blends suggest that stars with less than four arms are favorable as a viscosity index improver (VII), and molecular weight dominates viscosity-related effects over other structural features. Star-shaped PAMAs,more » as oil additives, effectively reduce the friction coefficient in both mixed and boundary lubrication regime. Several analogs outperformed commercial VIIs in both viscosity and friction performance. Furthermore, increased wear rates were observed for these star-shaped PAMAs in the boundary lubrication regime suggesting pressure-sensitive conformations may exist.« less

Men's facial masculinity: when (body) size matters.

PubMed

Holzleitner, Iris J; Hunter, David W; Tiddeman, Bernard P; Seck, Alassane; Re, Daniel E; Perrett, David I

2014-01-01

Recent studies suggest that judgments of facial masculinity reflect more than sexually dimorphic shape. Here, we investigated whether the perception of masculinity is influenced by facial cues to body height and weight. We used the average differences in three-dimensional face shape of forty men and forty women to compute a morphological masculinity score, and derived analogous measures for facial correlates of height and weight based on the average face shape of short and tall, and light and heavy men. We found that facial cues to body height and weight had substantial and independent effects on the perception of masculinity. Our findings suggest that men are perceived as more masculine if they appear taller and heavier, independent of how much their face shape differs from women's. We describe a simple method to quantify how body traits are reflected in the face and to define the physical basis of psychological attributions.

New process for preparing complex-shaped dielectric film similar to Mylar

NASA Astrophysics Data System (ADS)

Lagasse, R. R.; Kraynik, A. M.

1982-02-01

A new thermoforming/heat-treatment process yields complex-shaped dielectric film having electrical and shrinkage properties similar to those of flat Mylar film. This similarity should extend to other physical properties because the new process is directly analogous to the process used to prepare Mylar. Commercially available poly(ethylene terephthalate) film is formed into a cavity at approx. 110 C and then heat treated at approx. 180 C. A laboratory-scale forming apparatus has produced cylindrically shaped films having depth/diameter ratio approx. 1, a tapered wall-section, and variation in wall thickness of 3X. Evaluation of other forming methods suggest that the production rate and thickness uniformity can be improved with existing technology. Thermal shrinkage at 150 C, 1 kHz dielectric constant from -55 to +70 C, leakage current at 1 kV, and breakdown voltage have been measured for both the complex-shaped film and Mylar.

Insights into the carboxyltransferase reaction of pyruvate carboxylase from the structures of bound product and intermediate analogues

PubMed Central

Lietzan, Adam D.; St. Maurice, Martin

2014-01-01

Pyruvate carboxylase (PC) is a biotin-dependent enzyme that catalyzes the MgATP- and bicarbonate-dependent carboxylation of pyruvate to oxaloacetate, an important anaplerotic reaction in central metabolism. The carboxyltransferase (CT) domain of PC catalyzes the transfer of a carboxyl group from carboxybiotin to the accepting substrate, pyruvate. It has been hypothesized that the reactive enolpyruvate intermediate is stabilized through a bidentate interaction with the metal ion in the CT domain active site. Whereas bidentate ligands are commonly observed in enzymes catalyzing reactions proceeding through an enolpyruvate intermediate, no bidentate interaction has yet been observed in the CT domain of PC. Here, we report three X-ray crystal structures of the Rhizobium etli PC CT domain with the bound inhibitors oxalate, 3-hydroxypyruvate, and 3-bromopyruvate. Oxalate, a stereoelectronic mimic of the enolpyruvate intermediate, does not interact directly with the metal ion. Instead, oxalate is buried in a pocket formed by several positively charged amino acid residues and the metal ion. Furthermore, both 3-hydroxypyruvate and 3-bromopyruvate, analogs of the reaction product oxaloacetate, bind in an identical manner to oxalate suggesting that the substrate maintains its orientation in the active site throughout catalysis. Together, these structures indicate that the substrates, products and intermediates in the PC-catalyzed reaction are not oriented in the active site as previously assumed. The absence of a bidentate interaction with the active site metal appears to be a unique mechanistic feature among the small group of biotin-dependent enzymes that act on α-keto acid substrates. PMID:24157795

Modeling linear and cyclic PKS intermediates through atom replacement.

PubMed

Shakya, Gaurav; Rivera, Heriberto; Lee, D John; Jaremko, Matt J; La Clair, James J; Fox, Daniel T; Haushalter, Robert W; Schaub, Andrew J; Bruegger, Joel; Barajas, Jesus F; White, Alexander R; Kaur, Parminder; Gwozdziowski, Emily R; Wong, Fiona; Tsai, Shiou-Chuan; Burkart, Michael D

2014-12-03

The mechanistic details of many polyketide synthases (PKSs) remain elusive due to the instability of transient intermediates that are not accessible via conventional methods. Here we report an atom replacement strategy that enables the rapid preparation of polyketone surrogates by selective atom replacement, thereby providing key substrate mimetics for detailed mechanistic evaluations. Polyketone mimetics are positioned on the actinorhodin acyl carrier protein (actACP) to probe the underpinnings of substrate association upon nascent chain elongation and processivity. Protein NMR is used to visualize substrate interaction with the actACP, where a tetraketide substrate is shown not to bind within the protein, while heptaketide and octaketide substrates show strong association between helix II and IV. To examine the later cyclization stages, we extended this strategy to prepare stabilized cyclic intermediates and evaluate their binding by the actACP. Elongated monocyclic mimics show much longer residence time within actACP than shortened analogs. Taken together, these observations suggest ACP-substrate association occurs both before and after ketoreductase action upon the fully elongated polyketone, indicating a key role played by the ACP within PKS timing and processivity. These atom replacement mimetics offer new tools to study protein and substrate interactions and are applicable to a wide variety of PKSs.

Trapping proton transfer intermediates in the disordered hydrogen-bonded network of cryogenic hydrofluoric acid solutions.

PubMed

Ayotte, Patrick; Plessis, Sylvain; Marchand, Patrick

2008-08-28

A molecular-level description of the structural and dynamical aspects that are responsible for the weak acid behaviour of dilute hydrofluoric acid solutions and their unusual increased acidity at near equimolar concentrations continues to elude us. We address this problem by reporting reflection-absorption infrared spectra (RAIRS) of cryogenic HF-H(2)O binary mixtures at various compositions prepared as nanoscopic films using molecular beam techniques. Optical constants for these cryogenic solutions [n(omega) and k(omega)] are obtained by iteratively solving Fresnel equations for stratified media. Modeling of the experimental RAIRS spectra allow for a quantitative interpretation of the complex interplay between multiple reflections, optical interference and absorption effects. The evolution of the strong absorption features in the intermediate 1000-3000 cm(-1) range with increasing HF concentration reveals the presence of various ionic dissociation intermediates that are trapped in the disordered H-bonded network of cryogenic hydrofluoric acid solutions. Our findings are discussed in light of the conventional interpretation of why hydrofluoric acid is a weak acid revealing molecular-level details of the mechanism for HF ionization that may be relevant to analogous elementary processes involved in the ionization of weak acids in aqueous solutions.

VOLTAGE CLAMP BEHAVIOR OF IRON-NITRIC ACID SYSTEM AS COMPARED WITH THAT OF NERVE MEMBRANE

PubMed Central

Tasaki, I.; Bak, A. F.

1959-01-01

The current-voltage relation for the surface layer of an iron wire immersed in nitric acid was investigated by the voltage clamp technique. Comparing the phase of nitric acid to the axoplasm and the metallic phase to the external fluid medium for the nerve fiber, a striking analogy was found between the voltage clamp behavior of the iron-nitric acid system and that of the nerve membrane. The current voltage curve was found to consist of three parts: (a) a straight line representing the behavior of the resting (passive) membrane, (b) a straight line representing the fully excited (active) state, and (c) an intermediate zone connecting (a) and (b). It was shown that in the intermediate zone, the surface of iron consisted of a fully active patch (or patches) surrounded by a remaining resting area. The phenomenon corresponding to "repetitive firing of responses under voltage clamp" in the nerve membrane was demonstrated in the intermediate zone. The behavior of the cobalt electrode system was also investigated by the same technique. An attempt was made to interpret the phenomenon of initiation and abolition of an active potential on the basis of the thermodynamics of irreversible processes. PMID:13654740

Bifunctionality of the thiamin diphosphate cofactor: assignment of tautomeric/ionization states of the 4′-aminopyrimidine ring when various intermediates occupy the active sites during the catalysis of yeast pyruvate decarboxylase

PubMed Central

Balakrishnan, Anand; Gao, Yuhong; Moorjani, Prerna; Nemeria, Natalia S.; Tittmann, Kai; Jordan, Frank

2012-01-01

Thiamin diphosphate (ThDP) dependent enzymes perform crucial C-C bond forming and breaking reactions in sugar and amino acid metabolism and in biosynthetic pathways via a sequence of ThDP-bound covalent intermediates. A member of this superfamily, yeast pyruvate decarboxylase (YPDC) carries out the non-oxidative decarboxylation of pyruvate and is mechanistically a simpler ThDP enzyme. YPDC variants created by substitution at the active center (D28A, E51X, E477Q) and on the substrate activation pathway (E91D and C221E) display varying activity, suggesting that they stabilize different covalent intermediates. To test the role of both rings of ThDP in YPDC catalysis (the 4′-aminopyrimidine as acid-base, and thiazolium as electrophilic covalent catalyst), we applied a combination of steady state and time-resolved circular dichroism experiments (assessing the state of ionization and tautomerization of enzyme-bound ThDP-related intermediates), and chemical quench of enzymatic reaction mixtures followed by NMR characterization of the ThDP-bound intermediates released from YPDC (assessing occupancy of active centers by these intermediates and rate-limiting steps). Results suggest that: (1) Pyruvate and analogs induce active site asymmetry in YPDC and variants. (2) The rare 1′,4′-iminopyrimidine ThDP tautomer participates in formation of ThDP-bound intermediates. (3) Propionylphosphinate also binds at the regulatory site and its binding is reflected by catalytic events at the active site 20Å away. (4) YPDC stabilizes an electrostatic model for the 4′-aminopyrimidinium ionization state, an important contribution of the protein to catalysis. The combination of tools used provides time-resolved details about individual events during ThDP catalysis; the methods are transferable to other ThDP superfamily members. PMID:22300533

The forest, the trees, and the leaves: Differences of processing across development.

PubMed

Krakowski, Claire-Sara; Poirel, Nicolas; Vidal, Julie; Roëll, Margot; Pineau, Arlette; Borst, Grégoire; Houdé, Olivier

2016-08-01

To act and think, children and adults are continually required to ignore irrelevant visual information to focus on task-relevant items. As real-world visual information is organized into structures, we designed a feature visual search task containing 3-level hierarchical stimuli (i.e., local shapes that constituted intermediate shapes that formed the global figure) that was presented to 112 participants aged 5, 6, 9, and 21 years old. This task allowed us to explore (a) which level is perceptively the most salient at each age (i.e., the fastest detected level) and (b) what kind of attentional processing occurs for each level across development (i.e., efficient processing: detection time does not increase with the number of stimuli on the display; less efficient processing: detection time increases linearly with the growing number of distractors). Results showed that the global level was the most salient at 5 years of age, whereas the global and intermediate levels were both salient for 9-year-olds and adults. Interestingly, at 6 years of age, the intermediate level was the most salient level. Second, all participants showed an efficient processing of both intermediate and global levels of hierarchical stimuli, and a less efficient processing of the local level, suggesting a local disadvantage rather than a global advantage in visual search. The cognitive cost for selecting the local target was higher for 5- and 6-year-old children compared to 9-year-old children and adults. These results are discussed with regards to the development of executive control. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

Analysis of branched DNA replication and recombination intermediates from prokaryotic cells by two-dimensional (2D) native-native agarose gel electrophoresis.

PubMed

Robinson, Nicholas P

2013-01-01

Branched DNA molecules are generated by the essential processes of replication and recombination. Owing to their distinctive extended shapes, these intermediates migrate differently from linear double-stranded DNA under certain electrophoretic conditions. However, these branched species exist in the cell at much low abundance than the bulk linear DNA. Consequently, branched molecules cannot be visualized by conventional electrophoresis and ethidium bromide staining. Two-dimensional native-native agarose electrophoresis has therefore been developed as a method to facilitate the separation and visualization of branched replication and recombination intermediates. A wide variety of studies have employed this technique to examine branched molecules in eukaryotic, archaeal, and bacterial cells, providing valuable insights into how DNA is duplicated and repaired in all three domains of life.

Existing methods for improving the accuracy of digital-to-analog converters

NASA Astrophysics Data System (ADS)

Eielsen, Arnfinn A.; Fleming, Andrew J.

2017-09-01

The performance of digital-to-analog converters is principally limited by errors in the output voltage levels. Such errors are known as element mismatch and are quantified by the integral non-linearity. Element mismatch limits the achievable accuracy and resolution in high-precision applications as it causes gain and offset errors, as well as harmonic distortion. In this article, five existing methods for mitigating the effects of element mismatch are compared: physical level calibration, dynamic element matching, noise-shaping with digital calibration, large periodic high-frequency dithering, and large stochastic high-pass dithering. These methods are suitable for improving accuracy when using digital-to-analog converters that use multiple discrete output levels to reconstruct time-varying signals. The methods improve linearity and therefore reduce harmonic distortion and can be retrofitted to existing systems with minor hardware variations. The performance of each method is compared theoretically and confirmed by simulations and experiments. Experimental results demonstrate that three of the five methods provide significant improvements in the resolution and accuracy when applied to a general-purpose digital-to-analog converter. As such, these methods can directly improve performance in a wide range of applications including nanopositioning, metrology, and optics.

A Transiting Jupiter Analog

NASA Astrophysics Data System (ADS)

Kipping, D. M.; Torres, G.; Henze, C.; Teachey, A.; Isaacson, H.; Petigura, E.; Marcy, G. W.; Buchhave, L. A.; Chen, J.; Bryson, S. T.; Sandford, E.

2016-04-01

Decadal-long radial velocity surveys have recently started to discover analogs to the most influential planet of our solar system, Jupiter. Detecting and characterizing these worlds is expected to shape our understanding of our uniqueness in the cosmos. Despite the great successes of recent transit surveys, Jupiter analogs represent a terra incognita, owing to the strong intrinsic bias of this method against long orbital periods. We here report on the first validated transiting Jupiter analog, Kepler-167e (KOI-490.02), discovered using Kepler archival photometry orbiting the K4-dwarf KIC-3239945. With a radius of (0.91+/- 0.02) {R}{{J}}, a low orbital eccentricity ({0.06}-0.04+0.10), and an equilibrium temperature of (131+/- 3) K, Kepler-167e bears many of the basic hallmarks of Jupiter. Kepler-167e is accompanied by three Super-Earths on compact orbits, which we also validate, leaving a large cavity of transiting worlds around the habitable-zone. With two transits and continuous photometric coverage, we are able to uniquely and precisely measure the orbital period of this post snow-line planet (1071.2323 ± 0.0006d), paving the way for follow-up of this K = 11.8 mag target.

Access to Diosgenyl Glycoconjugates via Gold(I)-Catalyzed Etherification of Diosgen-3-yl ortho-Hexynylbenzoate.

PubMed

Zhang, Li; Li, Linfeng; Bai, Shujin; Zhou, Xin; Wang, Peng; Li, Ming

2016-12-02

An efficient protocol for the synthesis of diverse diosgen-3-yl glycoconjugates, a class of novel synthetic analogs of natural saponins of biological significance, has been developed. The method relies on gold(I)-catalyzed etherification of diosgen-3-yl ortho-hexynylbenzoate with stoichiometric sugar alcohols to afford the corresponding glycoconjugates in 38%-99% yields. The reaction involves the preferential attack of hydroxyl groups to the C3 position of homoallylic carbocation intermediate and displays a broad substrate scope and a good functional group tolerance.

On the Nickel Hydroxide Electrode. I. On Nickel (II) Hydroxide Hydrate,

DTIC Science & Technology

1980-10-27

1 - 4.60 A), and the hydrous form is halloysite , AI 2Si2 O5 (OH)4 .2H20 with d001 - 10.25 A (analogous to a-3Ni(OH)2 .2H20 with do01 - 8.07 A). On...heating of halloysite , the entire intermediate layer water is lost at about 1500 C, as for a nickel hydroxide, without the hydroxide layer separation...significantly reducing to meta- halloysite . 13 The conversion of the a form under the influence of alkali goes only in one direction. This monotropic

Growth patterns for shape-shifting elastic bilayers.

PubMed

van Rees, Wim M; Vouga, Etienne; Mahadevan, L

2017-10-31

Inspired by the differential-growth-driven morphogenesis of leaves, flowers, and other tissues, there is increasing interest in artificial analogs of these shape-shifting thin sheets made of active materials that respond to environmental stimuli such as heat, light, and humidity. But how can we determine the growth patterns to achieve a given shape from another shape? We solve this geometric inverse problem of determining the growth factors and directions (the metric tensors) for a given isotropic elastic bilayer to grow into a target shape by posing and solving an elastic energy minimization problem. A mathematical equivalence between bilayers and curved monolayers simplifies the inverse problem considerably by providing algebraic expressions for the growth metric tensors in terms of those of the final shape. This approach also allows us to prove that we can grow any target surface from any reference surface using orthotropically growing bilayers. We demonstrate this by numerically simulating the growth of a flat sheet into a face, a cylindrical sheet into a flower, and a flat sheet into a complex canyon-like structure.

Growth patterns for shape-shifting elastic bilayers

PubMed Central

van Rees, Wim M.; Vouga, Etienne; Mahadevan, L.

2017-01-01

Inspired by the differential-growth-driven morphogenesis of leaves, flowers, and other tissues, there is increasing interest in artificial analogs of these shape-shifting thin sheets made of active materials that respond to environmental stimuli such as heat, light, and humidity. But how can we determine the growth patterns to achieve a given shape from another shape? We solve this geometric inverse problem of determining the growth factors and directions (the metric tensors) for a given isotropic elastic bilayer to grow into a target shape by posing and solving an elastic energy minimization problem. A mathematical equivalence between bilayers and curved monolayers simplifies the inverse problem considerably by providing algebraic expressions for the growth metric tensors in terms of those of the final shape. This approach also allows us to prove that we can grow any target surface from any reference surface using orthotropically growing bilayers. We demonstrate this by numerically simulating the growth of a flat sheet into a face, a cylindrical sheet into a flower, and a flat sheet into a complex canyon-like structure. PMID:29078336

The Land-Grant Analogy and the American Urban University: An Historical Analysis

ERIC Educational Resources Information Center

Diner, Steven J.

2013-01-01

This article examines how the history of land-grant universities in America shaped the views of higher educators, public officials, and foundations on the role of urban universities in addressing the problems of American cities. Higher education leaders urged the federal government to provide funds that would enable urban universities to do for…

Memory-Metal Electromechanical Actuators

NASA Technical Reports Server (NTRS)

Ruoff, C. F.

1984-01-01

Electrically controlled actuator produces predetermined force, torque, or displacement without motors, solenoids, or gears. Using memory-metal elements, actuator responds to digital input without electronic digitalto-analog conversion. To prevent overheating and consequent loss of hotformed shape, each element protected by thermostat turns off current when predetermined temperature is exceeded. Memory metals used to generate fast mechanical response to electric signals.

Productivity is a poor predictor of plant species richness

USDA-ARS?s Scientific Manuscript database

For 30 years, the relationship between net primary productivity and species richness has generated intense debate in ecology about the processes regulating fine-scale species richness. The true relationship was thought to be hump-shaped, with richness peaking at intermediate levels of productivity, ...

The Terrestrial Planets Formation in the Solar-System Analogs

NASA Astrophysics Data System (ADS)

Ji, Jianghui; Liu, L.; Chambers, J. E.; Butler, R. P.

2006-09-01

In this work, we numerically studied the terrestrial planets formation in the Solar-Systems Analogs using MERCURY (Chambers 1999). The Solar-System Analogs are herein defined as a solar-system like planetary system, where the system consists of two wide-separated Jupiter-like planets (e.g., 47 UMa, Ji et al. 2005) move about the central star on nearly circular orbits with low inclinations, then low-mass terrestrial planets can be formed there, and life would be possibly evolved. We further explored the terrestrial planets formation due to the current uncertainties of the eccentricities for two giant planets. In addition, we place a great many of the planetesimals between two Jupiter-like planets to investigate the potential asteroidal structure in such systems. We showed that the secular resonances and mean motion resonances can play an important role in shaping the asteroidal structure. We acknowledge the financial support by National Natural Science Foundation of China (Grant No.10573040, 10233020, 10203005) and Foundation of Minor Planets of Purple Mountain Observatory.

A combined LS-SVM & MLR QSAR workflow for predicting the inhibition of CXCR3 receptor by quinazolinone analogs.

PubMed

Afantitis, Antreas; Melagraki, Georgia; Sarimveis, Haralambos; Koutentis, Panayiotis A; Igglessi-Markopoulou, Olga; Kollias, George

2010-05-01

A novel QSAR workflow is constructed that combines MLR with LS-SVM classification techniques for the identification of quinazolinone analogs as "active" or "non-active" CXCR3 antagonists. The accuracy of the LS-SVM classification technique for the training set and test was 100% and 90%, respectively. For the "active" analogs a validated MLR QSAR model estimates accurately their I-IP10 IC(50) inhibition values. The accuracy of the QSAR model (R (2) = 0.80) is illustrated using various evaluation techniques, such as leave-one-out procedure (R(LOO2)) = 0.67) and validation through an external test set (R(pred2) = 0.78). The key conclusion of this study is that the selected molecular descriptors, Highest Occupied Molecular Orbital energy (HOMO), Principal Moment of Inertia along X and Y axes PMIX and PMIZ, Polar Surface Area (PSA), Presence of triple bond (PTrplBnd), and Kier shape descriptor ((1) kappa), demonstrate discriminatory and pharmacophore abilities.

Validation of a partial coherence interferometry method for estimating retinal shape

PubMed Central

Verkicharla, Pavan K.; Suheimat, Marwan; Pope, James M.; Sepehrband, Farshid; Mathur, Ankit; Schmid, Katrina L.; Atchison, David A.

2015-01-01

To validate a simple partial coherence interferometry (PCI) based retinal shape method, estimates of retinal shape were determined in 60 young adults using off-axis PCI, with three stages of modeling using variants of the Le Grand model eye, and magnetic resonance imaging (MRI). Stage 1 and 2 involved a basic model eye without and with surface ray deviation, respectively and Stage 3 used model with individual ocular biometry and ray deviation at surfaces. Considering the theoretical uncertainty of MRI (12-14%), the results of the study indicate good agreement between MRI and all three stages of PCI modeling with <4% and <7% differences in retinal shapes along horizontal and vertical meridians, respectively. Stage 2 and Stage 3 gave slightly different retinal co-ordinates than Stage 1 and we recommend the intermediate Stage 2 as providing a simple and valid method of determining retinal shape from PCI data. PMID:26417496

Validation of a partial coherence interferometry method for estimating retinal shape.

PubMed

Verkicharla, Pavan K; Suheimat, Marwan; Pope, James M; Sepehrband, Farshid; Mathur, Ankit; Schmid, Katrina L; Atchison, David A

2015-09-01

To validate a simple partial coherence interferometry (PCI) based retinal shape method, estimates of retinal shape were determined in 60 young adults using off-axis PCI, with three stages of modeling using variants of the Le Grand model eye, and magnetic resonance imaging (MRI). Stage 1 and 2 involved a basic model eye without and with surface ray deviation, respectively and Stage 3 used model with individual ocular biometry and ray deviation at surfaces. Considering the theoretical uncertainty of MRI (12-14%), the results of the study indicate good agreement between MRI and all three stages of PCI modeling with <4% and <7% differences in retinal shapes along horizontal and vertical meridians, respectively. Stage 2 and Stage 3 gave slightly different retinal co-ordinates than Stage 1 and we recommend the intermediate Stage 2 as providing a simple and valid method of determining retinal shape from PCI data.

Planets, Planetary Nebulae, and Intermediate Luminosity Optical Transients (ILOTs)

NASA Astrophysics Data System (ADS)

Soker, Noam

2018-05-01

I review some aspects related to the influence of planets on the evolution of stars before and beyond the main sequence. Some processes include the tidal destruction of a planet on to a very young main sequence star, on to a low mass main sequence star, and on to a brown dwarf. This process releases gravitational energy that might be observed as a faint intermediate luminosity optical transient (ILOT) event. I then summarize the view that some elliptical planetary nebulae are shaped by planets. When the planet interacts with a low mass upper asymptotic giant branch (AGB) star it both enhances the mass loss rate and shapes the wind to form an elliptical planetary nebula, mainly by spinning up the envelope and by exciting waves in the envelope. If no interaction with a companion, stellar or sub-stellar, takes place beyond the main sequence, the star is termed a Jsolated star, and its mass loss rates on the giant branches are likely to be much lower than what is traditionally assumed.

How log-normal is your country? An analysis of the statistical distribution of the exported volumes of products

NASA Astrophysics Data System (ADS)

Annunziata, Mario Alberto; Petri, Alberto; Pontuale, Giorgio; Zaccaria, Andrea

2016-10-01

We have considered the statistical distributions of the volumes of 1131 products exported by 148 countries. We have found that the form of these distributions is not unique but heavily depends on the level of development of the nation, as expressed by macroeconomic indicators like GDP, GDP per capita, total export and a recently introduced measure for countries' economic complexity called fitness. We have identified three major classes: a) an incomplete log-normal shape, truncated on the left side, for the less developed countries, b) a complete log-normal, with a wider range of volumes, for nations characterized by intermediate economy, and c) a strongly asymmetric shape for countries with a high degree of development. Finally, the log-normality hypothesis has been checked for the distributions of all the 148 countries through different tests, Kolmogorov-Smirnov and Cramér-Von Mises, confirming that it cannot be rejected only for the countries of intermediate economy.

Multi-shape memory polymers achieved by the spatio-assembly of 3D printable thermoplastic building blocks.

PubMed

Li, Hongze; Gao, Xiang; Luo, Yingwu

2016-04-07

Multi-shape memory polymers were prepared by the macroscale spatio-assembly of building blocks in this work. The building blocks were methyl acrylate-co-styrene (MA-co-St) copolymers, which have the St-block-(St-random-MA)-block-St tri-block chain sequence. This design ensures that their transition temperatures can be adjusted over a wide range by varying the composition of the middle block. The two St blocks at the chain ends can generate a crosslink network in the final device to achieve strong bonding force between building blocks and the shape memory capacity. Due to their thermoplastic properties, 3D printing was employed for the spatio-assembly to build devices. This method is capable of introducing many transition phases into one device and preparing complicated shapes via 3D printing. The device can perform a complex action via a series of shape changes. Besides, this method can avoid the difficult programing of a series of temporary shapes. The control of intermediate temporary shapes was realized via programing the shapes and locations of building blocks in the final device.

Echinostoma trivolvis (Digenea: Echinostomatidae) second intermediate host preference matches host suitability.

PubMed

Wojdak, Jeremy M; Clay, Letitia; Moore, Sadé; Williams, Taylore; Belden, Lisa K

2013-02-01

Many trematodes infect a single mollusk species as their first intermediate host, and then infect a variety of second intermediate host species. Determining the factors that shape host specificity is an important step towards understanding trematode infection dynamics. Toward this end, we studied two pond snails (Physa gyrina and Helisoma trivolvis) that can be infected as second intermediate hosts by the trematode Echinostoma trivolvis lineage a (ETa). We performed laboratory preference trials with ETa cercariae in the presence of both snail species and also characterized host suitability by quantifying encystment and excystment success for each host species alone. We tested the prediction that trematodes might preferentially infect species other than their obligate first intermediate host (in this case, H. trivolvis) as second intermediate hosts to avoid potentially greater host mortality associated with residing in first intermediate hosts. In our experiments, ETa had roughly equivalent encystment success in Helisoma and Physa snails, but greater excystment success in Physa, when offered each species in isolation. Also, the presence of the symbiotic oligochaete Chaetogaster limnaei in a subset of Helisoma snails reduced encystment success in those individuals. When both hosts were present, we found dramatically reduced infection prevalence and intensity in Helisoma-ETa cercariae strongly preferred Physa. Thus, the presence of either an alternative host, or a predator of free-living parasites, offered protection for Helisoma snails from E. trivolvis lineage a infection.

Shaped pupil coronagraphy for WFIRST: high-contrast broadband testbed demonstration

NASA Astrophysics Data System (ADS)

Cady, Eric; Balasubramanian, Kunjithapatham; Gersh-Range, Jessica; Kasdin, Jeremy; Kern, Brian; Lam, Raymond; Mejia Prada, Camilo; Moody, Dwight; Patterson, Keith; Poberezhskiy, Ilya; Riggs, A. J. Eldorado; Seo, Byoung-Joon; Shi, Fang; Tang, Hong; Trauger, John; Zhou, Hanying; Zimmerman, Neil

2017-09-01

The Shaped Pupil Coronagraph (SPC) is one of the two operating modes of the WFIRST coronagraph instrument. The SPC provides starlight suppression in a pair of wedge-shaped regions over an 18% bandpass, and is well suited for spectroscopy of known exoplanets. To demonstrate this starlight suppression in the presence of expected onorbit input wavefront disturbances, we have recently built a dynamic testbed at JPL analogous to the WFIRST flight instrument architecture, with both Hybrid Lyot Coronagraph (HLC) and SPC architectures and a Low Order Wavefront Sensing and Control (LOWFS/C) subsystem to apply, sense, and correct dynamic wavefront disturbances. We present our best up-to-date results of the SPC mode demonstration from the testbed, in both static and dynamic conditions, along with model comparisons. HLC results will be reported separately.

Atypical pit craters on Mars: new insights from THEMIS, CTX and HiRISE observations

USGS Publications Warehouse

Cushing, Glen; Okubo, Chris H.; Titus, Timothy N.

2015-01-01

More than 100 pit craters in the Tharsis region of Mars exhibit morphologies, diameters and thermal behaviors that diverge from the much larger bowl-shaped pit craters that occur in most regions across Mars. These Atypical Pit Craters (APCs) generally have sharp and distinct rims, vertical or overhanging walls that extend down to their floors, surface diameters of ~50-350 m, and high depth-to-diameter (d/D) ratios that are usually greater than 0.3 (which is an upper-range value for impacts and bowl-shaped pit craters), and can exceed values of 1.8. Observations by the Mars Odyssey THermal Emission Imaging System (THEMIS) show that APC floor temperatures are warmer at night, and fluctuate with much lower diurnal amplitudes than nearby surfaces or adjacent bowl-shaped pit craters. Kīlauea volcano, Hawai'i, hosts pit craters that formed through subsurface collapse into active volcanic dikes, resulting in pits that can appear morphologically analogous to either APCs or bowl-shaped pit craters. Partially-drained dikes are sometimes exposed within the lower walls and floors of these terrestrial APC analogs and can form extensive cave systems with unique microclimates. Similar caves in martian pit craters are of great interest for astrobiology. This study uses new observations by the Mars Reconnaissance Orbiter (MRO) High Resolution Imaging Science Experiment (HiRISE) and Context Camera (CTX) to refine previous work where seven APCs were described from lower-resolution THEMIS visible-wavelength (VIS) observations. Here, we identify locations of 115 APCs, map their distribution across the Tharsis region, characterize their internal morphologies with high-resolution observations, and discuss possible formation mechanisms.

Identification of potent maturation inhibitors against HIV-1 clade C.

PubMed

Timilsina, Uddhav; Ghimire, Dibya; Timalsina, Bivek; Nitz, Theodore J; Wild, Carl T; Freed, Eric O; Gaur, Ritu

2016-06-06

Antiretroviral therapy has led to a profound improvement in the clinical care of HIV-infected patients. However, drug tolerability and the evolution of drug resistance have limited treatment options for many patients. Maturation inhibitors are a new class of antiretroviral agents for treatment of HIV-1. They act by interfering with the maturation of the virus by blocking the last step in Gag processing: the cleavage of the capsid-spacer peptide 1 (CA-SP1) intermediate to mature CA by the viral protease (PR). The first-in-class maturation inhibitor bevirimat (BVM) failed against a subset of HIV-1 isolates in clinical trials due to polymorphisms present in the CA-SP1 region of the Gag protein. Sequence analysis indicated that these polymorphisms are more common in non-clade B strains of HIV-1 such as HIV-1 clade C. Indeed, BVM was found to be ineffective against HIV-1 clade C molecular clones tested in this study. A number of BVM analogs were synthesized by chemical modifications at the C-28 position to improve its activity. The new BVM analogs displayed potent activity against HIV-1 clade B and C and also reduced infectivity of the virus. This study identifies novel and broadly active BVM analogs that may ultimately demonstrate efficacy in the clinic.

Simulating Extraterrestrial Ices in the Laboratory

NASA Astrophysics Data System (ADS)

Berisford, D. F.; Carey, E. M.; Hand, K. P.; Choukroun, M.

2017-12-01

Several ongoing experiments at JPL attempt to simulate the ice environment for various regimes associated with icy moons. The Europa Penitent Ice Experiment (EPIX) simulates the surface environment of an icy moon, to investigate the physics of ice surface morphology growth. This experiment features half-meter-scale cryogenic ice samples, cryogenic radiative sink environment, vacuum conditions, and diurnal cycling solar simulation. The experiment also includes several smaller fixed-geometry vacuum chambers for ice simulation at Earth-like and intermediate temperature and vacuum conditions for development of surface morphology growth scaling relations. Additionally, an ice cutting facility built on a similar platform provides qualitative data on the mechanical behavior of cryogenic ice with impurities under vacuum, and allows testing of ice cutting/sampling tools relevant for landing spacecraft. A larger cutting facility is under construction at JPL, which will provide more quantitative data and allow full-scale sampling tool tests. Another facility, the JPL Ice Physics Laboratory, features icy analog simulant preparation abilities that range icy solar system objects such as Mars, Ceres and the icy satellites of Saturn and Jupiter. In addition, the Ice Physics Lab has unique facilities for Icy Analog Tidal Simulation and Rheological Studies of Cryogenic Icy Slurries, as well as equipment to perform thermal and mechanical properties testing on icy analog materials and their response to sinusoidal tidal stresses.

Quantitative analysis of Ostracoda and water masses around Japan: Application to Pliocene and Pleistocene paleoceanography

USGS Publications Warehouse

Ikeya, Noriyuki; Cronin, Thomas M.

1993-01-01

An ostracode data base consisting of 273 samples from coretops and comprising 226 species was developed for the seas around the Japanese Islands to determine zoogeographic patterns and for application to Pliocene and Pleistocene paleoceanography in the area. Quantitative analyses of the 59 most common taxa between 0 and 300m water depth indicate that ostracode associations are controlled by the main oceanic water masses around Japan and that bottom water temperature is a key factor influencing species distributions. Ostracodes from the following water masses were studied: warm Kuroshio Current, Tsushima Current (Tsugaru Current and Soya Current), Japan Sea intermediate water, Japan Sea proper water and cold Oyashio Current. In order to apply the modem coretop data base to fossil ostracode assemblages, the modem analog technique (MAT) using a squared chord distance (SCD) measure of dissimilarity was tested as a means of comparing fossil and modem assemblages. SCD values of 0.25 or less adequately identify modem analogs from the coretop data set at the local ecological level (i.e. within the same modern bay), while values of 0.25-0.5 identify modem analogs at the level of the zoogeographic province. The MAT method was tested against 3 Pliocene and 11 Pleistocene formations in Japan to examine the use of the MAT in paleoceanographic reconstruction.

Performance of the THS4302 and the Class V Radiation-Tolerant THS4304-SP Silicon Germanium Wideband Amplifiers at Extreme Temperatures

NASA Technical Reports Server (NTRS)

Patterson, Richard L.; Elbuluk, Malik; Hammoud, Ahmad; VanKeuls, Frederick W.

2009-01-01

This report discusses the performance of silicon germanium, wideband gain amplifiers under extreme temperatures. The investigated devices include Texas Instruments THS4304-SP and THS4302 amplifiers. Both chips are manufactured using the BiCom3 process based on silicon germanium technology along with silicon-on-insulator (SOI) buried oxide layers. The THS4304-SP device was chosen because it is a Class V radiation-tolerant (150 kRad, TID silicon), voltage-feedback operational amplifier designed for use in high-speed analog signal applications and is very desirable for NASA missions. It operates with a single 5 V power supply [1]. It comes in a 10-pin ceramic flatpack package, and it provides balanced inputs, low offset voltage and offset current, and high common mode rejection ratio. The fixed-gain THS4302 chip, which comes in a 16-pin leadless package, offers high bandwidth, high slew rate, low noise, and low distortion [2]. Such features have made the amplifier useful in a number of applications such as wideband signal processing, wireless transceivers, intermediate frequency (IF) amplifier, analog-to-digital converter (ADC) preamplifier, digital-to-analog converter (DAC) output buffer, measurement instrumentation, and medical and industrial imaging.

Cluster Analysis of Time-Dependent Crystallographic Data: Direct Identification of Time-Independent Structural Intermediates

PubMed Central

Kostov, Konstantin S.; Moffat, Keith

2011-01-01

The initial output of a time-resolved macromolecular crystallography experiment is a time-dependent series of difference electron density maps that displays the time-dependent changes in underlying structure as a reaction progresses. The goal is to interpret such data in terms of a small number of crystallographically refinable, time-independent structures, each associated with a reaction intermediate; to establish the pathways and rate coefficients by which these intermediates interconvert; and thereby to elucidate a chemical kinetic mechanism. One strategy toward achieving this goal is to use cluster analysis, a statistical method that groups objects based on their similarity. If the difference electron density at a particular voxel in the time-dependent difference electron density (TDED) maps is sensitive to the presence of one and only one intermediate, then its temporal evolution will exactly parallel the concentration profile of that intermediate with time. The rationale is therefore to cluster voxels with respect to the shapes of their TDEDs, so that each group or cluster of voxels corresponds to one structural intermediate. Clusters of voxels whose TDEDs reflect the presence of two or more specific intermediates can also be identified. From such groupings one can then infer the number of intermediates, obtain their time-independent difference density characteristics, and refine the structure of each intermediate. We review the principles of cluster analysis and clustering algorithms in a crystallographic context, and describe the application of the method to simulated and experimental time-resolved crystallographic data for the photocycle of photoactive yellow protein. PMID:21244840

Asymmetric shape transitions of epitaxial quantum dots

PubMed Central

2016-01-01

We construct a two-dimensional continuum model to describe the energetics of shape transitions in fully faceted epitaxial quantum dots (strained islands) via minimization of elastic energy and surface energy at fixed volume. The elastic energy of the island is based on a third-order approximation, enabling us to consider shape transitions between pyramids, domes, multifaceted domes and asymmetric intermediate states. The energetics of the shape transitions are determined by numerically calculating the facet lengths that minimize the energy of a given island type of prescribed island volume. By comparing the energy of different island types with the same volume and analysing the energy surface as a function of the island shape parameters, we determine the bifurcation diagram of equilibrium solutions and their stability, as well as the lowest barrier transition pathway for the island shape as a function of increasing volume. The main result is that the shape transition from pyramid to dome to multifaceted dome occurs through sequential nucleation of facets and involves asymmetric metastable transition shapes. We also explicitly determine the effect of corner energy (facet edge energy) on shape transitions and interpret the results in terms of the relative stability of asymmetric island shapes as observed in experiment. PMID:27436989

Body shape helps legged robots climb and turn in complex 3-D terrains

NASA Astrophysics Data System (ADS)

Han, Yuanfeng; Wang, Zheliang; Li, Chen

Analogous to streamlined shapes that reduce drag in fluids, insects' ellipsoid-like rounded body shapes were recently discovered to be ``terradynamically streamlined'' and enhance locomotion in cluttered terrain by facilitating body rolling. Here, we hypothesize that there exist more terradynamic shapes that facilitate other modes of locomotion like climbing and turning in complex 3-D terrains by facilitating body pitching and yawing. To test our hypothesis, we modified the body shape of a legged robot by adding an elliptical and a rectangular shell and tested how it negotiated with circular and square vertical pillars. With a rectangular shell the robot always pitched against square pillars in an attempt to climb, whereas with an elliptical shell it always yawed and turned away from circular pillars given a small initial lateral displacement. Square / circular pillars facilitated pitching / yawing, respectively. To begin to reveal the contact physics, we developed a locomotion energy landscape model. Our model revealed that potential energy barriers to transition from pitching to yawing are high for angular locomotor and obstacle shapes (rectangular / square) but vanish for rounded shapes (elliptical / circular). Our study supports the plausibility of locomotion energy landscapes for understanding the rich locomotor transitions in complex 3-D terrains.

Evaluation of phase transformation in ferromagnetic shape memory Fe-Pd alloy by magnetic Barkhausen noise

NASA Astrophysics Data System (ADS)

Furuya, Yasubumi; Tamoto, Shizuka; Kubota, Takeshi; Okazaki, Teiko; Hagood, Nesbitt W.; Spearing, S. Mark

2002-07-01

The possibility to detect the phase transformation with martensites by heating or cooling as well as stress-loading in ferromagnetic shape memory Fe-30at percent Pd alloy thin foil by using magnetic Markhausen noise sensor was studied. MBHN is caused by the irregular interactions between magnetic domain and thermally activated martensite twins during magnetization. In general, the envelope of the MBHN voltage versus time signals in Fe-29at percent Pd ribbon showed two peaks during magnetization, where secondary peak at intermediate state of magnetization process decreased with increasing temperature, while the MBHN envelopes in pure iron did not change with increasing temperature. The variety of MBHN due to the phase transformation was apt to arise at higher frequency part of spectrum during intermediate state of magnetization process and it decreased with disappearance of martensite twins. Besides, MBHN increased monotonically with increasing loading stress and then, it decreased with unloading, however MBHN showed large hysteresis between loading and unloading passes. Based on the experimental results from MBHN measurements for both thermoelastic and stress-induced martensite phase transformations in Fe-30at percent Pd ribbon samples, MBHN method seems a useful technique to non-destructive evaluation of martensite phase transformation of ferromagnetic shape memory alloy.

Discrimination of snipefish Macroramphosus species and boarfish Capros aper morphotypes through multivariate analysis of body shape

NASA Astrophysics Data System (ADS)

Lopes, Marta; Murta, Alberto G.; Cabral, Henrique N.

2006-03-01

The existence of two species of the genus Macroramphosus Lacepède 1803, has been discussed based on morphometric characters, diet composition and depth distribution. Another species, the boarfish Capros aper (Linnaeus 1758), caugth along the Portuguese coast, shows two different morphotypes, one type with smaller eyes and a deeper body than the other, occurring with intermediate forms. In both snipefish and boarfish no sexual dimorphism was found with respect to shape and length relationships. However, females in both genera were on average bigger than males. A multidimensional scaling analysis was performed using Procrustes distances, in order to check if shape geometry was effective in distinguishing the species of snipefish as well as the morphotypes of boarfish. A multivariate discriminant analysis using morphometric characters of snipefish and boarfish was carried out to validate the visual criteria for a distinction of species and morphotypes, respectively. Morphometric characters revealed a great discriminatory power to distinguish morphotypes. Both snipefish and boarfish are very abundant in Portuguese waters, showing two well-defined morphologies and intermediate forms. This study suggests that there may be two different species in each genus and that further studies on these fish should be carried out to investigate if there is reproductive isolation between the morphotypes of boarfish and to validate the species of snipefish.

Analog-to-digital conversion as a source of drifts in displacements derived from digital recordings of ground acceleration

USGS Publications Warehouse

Boore, D.M.

2003-01-01

Displacements obtained from double integration of digitally recorded ground accelerations often show drifts much larger than those expected for the true ground displacements. These drifts might be due to many things, including dynamic elastic ground tilt, inelastic ground deformation, hysteresis in the instruments, and cross feed due to misalignment of nominally orthogonal sensors. This article shows that even if those effects were not present, the analog-to-digital conversion (ADC) process can produce apparent "pulses" and offsets in the acceleration baseline if the ground motion is slowly varying compared with the quantization level of the digitization. Such slowly varying signals can be produced by constant offsets that do not coincide with a quantization level and by near- and intermediate-field terms in the wave field radiated from earthquakes. Double integration of these apparent pulses and offsets leads to drifts in the displacements similar to those found in processing real recordings. These effects decrease in importance as the resolution of the ADC process increases.

Adhesive Dimerization of Human P-Cadherin Catalyzed by a Chaperone-like Mechanism.

PubMed

Kudo, Shota; Caaveiro, Jose M M; Tsumoto, Kouhei

2016-09-06

Orderly assembly of classical cadherins governs cell adhesion and tissue maintenance. A key event is the strand-swap dimerization of the extracellular ectodomains of two cadherin molecules from apposing cells. Here we have determined crystal structures of P-cadherin in six different conformational states to elaborate a motion picture of its adhesive dimerization at the atomic level. The snapshots revealed that cell-adhesive dimerization is facilitated by several intermediate states collectively termed X-dimer in analogy to other classical cadherins. Based on previous studies and on the combined structural, kinetic, thermodynamic, biochemical, and cellular data reported herein, we propose that the adhesive dimerization of human P-cadherin is achieved by a stepwise mechanism analogous to that of assembly chaperones. This mechanism, applicable to type I classical cadherins, confers high specificity and fast association rates. We expect these findings to guide innovative therapeutic approaches targeting P-cadherin in cancer. Copyright © 2016 Elsevier Ltd. All rights reserved.

Intercultural Qualitative Research and Ph.D. Students

ERIC Educational Resources Information Center

Ditton, Mary

2007-01-01

The educational environment for postgraduate health professionals from developing countries in contemporary western universities is an intermediate zone between home and host culture. In this zone, knowledge is shaped through the development of concepts within the limitations of (often) pre-fluent language capacity. It is characterized by the…

40 CFR 463.2 - General definitions.

Code of Federal Regulations, 2013 CFR

2013-07-01

... final plastic product. It includes water used in both the detergent wash and rinse cycles of a cleaning... blended, molded, formed, or otherwise processed into intermediate or final products. (b) “Process water” is any raw, service, recycled, or reused water that contacts the plastic product or contacts shaping...

40 CFR 463.2 - General definitions.

Code of Federal Regulations, 2014 CFR

2014-07-01

... final plastic product. It includes water used in both the detergent wash and rinse cycles of a cleaning... blended, molded, formed, or otherwise processed into intermediate or final products. (b) “Process water” is any raw, service, recycled, or reused water that contacts the plastic product or contacts shaping...

40 CFR 463.2 - General definitions.

Code of Federal Regulations, 2012 CFR

2012-07-01

... final plastic product. It includes water used in both the detergent wash and rinse cycles of a cleaning... blended, molded, formed, or otherwise processed into intermediate or final products. (b) “Process water” is any raw, service, recycled, or reused water that contacts the plastic product or contacts shaping...

Mechanism of N[superscript 10]-formyltetrahydrofolate synthetase derived from complexes with intermediates and inhibitors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Celeste, Lesa R.; Chai, Geqing; Bielak, Magdalena

N{sup 10}-formyltetrahydrofolate synthetase (FTHFS) is a folate enzyme that catalyzes the formylation of tetrahydrofolate (THF) in an ATP dependent manner. Structures of FTHFS from the thermophilic homoacetogen, Moorella thermoacetica, complexed with (1) a catalytic intermediate-formylphosphate (XPO) and product-ADP; (2) with an inhibitory substrate analog-folate; (3) with XPO and an inhibitory THF analog, ZD9331, were used to analyze the enzyme mechanism. Nucleophilic attack of the formate ion on the gamma phosphate of ATP leads to the formation of XPO and the first product ADP. A channel that leads to the putative formate binding pocket allows for the binding of ATP andmore » formate in random order. Formate binding is due to interactions with the gamma-phosphate moiety of ATP and additionally to two hydrogen bonds from the backbone nitrogen of Ala276 and the side chain of Arg97. Upon ADP dissociation, XPO reorients and moves to the position previously occupied by the beta-phosphate of ATP. Conformational changes that occur due to the XPO presence apparently allow for the recruitment of the third substrate, THF, with its pterin moiety positioned between Phe384 and Trp412. This position overlaps with that of the bound nucleoside, which is consistent with a catalytic mechanism hypothesis that FTHFS works via a sequential ping-pong mechanism. More specifically, a random bi uni uni bi ping-pong ter ter mechanism is proposed. Additionally, the native structure originally reported at a 2.5 {angstrom} resolution was redetermined at a 2.2 {angstrom} resolution.« less

A comparison between semi-spheroid- and dome-shaped quantum dots coupled to wetting layer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shahzadeh, Mohammadreza; Sabaeian, Mohammad, E-mail: Sabaeian@scu.ac.ir

2014-06-15

During the epitaxial growth method, self-assembled semi-spheroid-shaped quantum dots (QDs) are formed on the wetting layer (WL). However for sake of simplicity, researchers sometimes assume semi-spheroid-shaped QDs to be dome-shaped (hemisphere). In this work, a detailed and comprehensive study on the difference between electronic and transition properties of dome- and semi-spheroid-shaped quantum dots is presented. We will explain why the P-to-S intersubband transition behaves the way it does. The calculated results for intersubband P-to-S transition properties of quantum dots show two different trends for dome-shaped and semi-spheroid-shaped quantum dots. The results are interpreted using the probability of finding electron insidemore » the dome/spheroid region, with emphasis on the effects of wetting layer. It is shown that dome-shaped and semi-spheroid-shaped quantum dots feature different electronic and transition properties, arising from the difference in lateral dimensions between dome- and semi-spheroid-shaped QDs. Moreover, an analogy is presented between the bound S-states in the quantum dots and a simple 3D quantum mechanical particle in a box, and effective sizes are calculated. The results of this work will benefit researchers to present more realistic models of coupled QD/WL systems and explain their properties more precisely.« less

Optical-analog-to-digital conversion based on successive-like approximations in octagonal-shape photonic crystal ring resonators

NASA Astrophysics Data System (ADS)

Tavousi, A.; Mansouri-Birjandi, M. A.

2018-02-01

Implementing intensity-dependent Kerr-like nonlinearity in octagonal-shape photonic crystal ring resonators (OSPCRRs), a new class of optical analog-to-digital converters (ADCs) with low power consumption is presented. Due to its size dependent refractive index, Silicon (Si) nanocrystal is used as nonlinear medium in the proposed ADC. Coding system of optical ADC is based on successive-like approximations which requires only one quantization level to represent each single bit, despite of conventional ADCs that require at least two distinct levels for each bit. Each is representing bit of optical ADC is formed by vertically alignment of double rings of OSPCRRs (DR-OSPCRR) and cascading m number of DR-OSPCRR, forms an m bit ADC. Investigating different parameters of DR-OSPCRR such as refractive indices of rings, lattice refractive index, and coupling coefficients of waveguide-to-ring and ring-to-ring, the ADC's threshold power is tuned. Increasing the number of bits of ADC, increases the overall power consumption of ADC. One can arrange to have any number of bits for this ADC, as long as the power levels are treated carefully. Finite difference time domain (FDTD) in-house codes were used to evaluate the ADC's effectiveness.

Driving Forces of the Self-Assembly of Supramolecular Systems: Partially Ordered Mesophases

NASA Astrophysics Data System (ADS)

Shcherbina, M. A.; Chvalun, S. N.

2018-06-01

The main aspects are considered of the self-organization of a new class of liquid crystalline compounds, rigid sector-shaped and cone-shaped dendrons. Theoretical approaches to the self-assembly of different amphiphilic compounds (lipids, bolaamphiphiles, block copolymers, and polyelectrolytes) are described. Particular attention is given to the mesophase structures that emerge during the self-organization of mesophases characterized by intermediate degrees of ordering, e.g., plastic crystals, the rotation-crystalline phase in polymers, ordered and disordered two-dimensional columnar phases, and bicontinuous cubic phases of different symmetry.

Optical Manipulation with Plasmonic Beam Shaping Antenna Structures

DOE PAGES

Jun, Young Chul; Brener, Igal

2012-01-01

Near-field optical trapping of objects using plasmonic antenna structures has recently attracted great attention. However, metal nanostructures also provide a compact platform for general wavefront engineering of intermediate and far-field beams. Here, we analyze optical forces generated by plasmonic beam shaping antenna structures and show that they can be used for general optical manipulation such as guiding of a dielectric particle along a linear or curved trajectory. This removes the need for bulky diffractive optical components and facilitates the integration of optical force manipulation into a highly functional, compact system.

On the phase behavior of hard aspherical particles

NASA Astrophysics Data System (ADS)

Miller, William L.; Cacciuto, Angelo

2010-12-01

We use numerical simulations to understand how random deviations from the ideal spherical shape affect the ability of hard particles to form fcc crystalline structures. Using a system of hard spheres as a reference, we determine the fluid-solid coexistence pressures of both shape-polydisperse and monodisperse systems of aspherical hard particles. We find that when particles are sufficiently isotropic, the coexistence pressure can be predicted from a linear relation involving the product of two simple geometric parameters characterizing the asphericity of the particles. Finally, our results allow us to gain direct insight into the crystallizability limits of these systems by rationalizing empirical data obtained for analogous monodisperse systems.

Numerical Simulation Of Cutting Of Gear Teeth

NASA Technical Reports Server (NTRS)

Oswald, Fred B.; Huston, Ronald L.; Mavriplis, Dimitrios

1994-01-01

Shapes of gear teeth produced by gear cutters of specified shape simulated computationally, according to approach based on principles of differential geometry. Results of computer simulation displayed as computer graphics and/or used in analyses of design, manufacturing, and performance of gears. Applicable to both standard and non-standard gear-tooth forms. Accelerates and facilitates analysis of alternative designs of gears and cutters. Simulation extended to study generation of surfaces other than gears. Applied to cams, bearings, and surfaces of arbitrary rolling elements as well as to gears. Possible to develop analogous procedures for simulating manufacture of skin surfaces like automobile fenders, airfoils, and ship hulls.

Insulin fibrillation and protein design: topological resistance of single-chain analogs to thermal degradation with application to a pump reservoir.

PubMed

Phillips, Nelson B; Whittaker, Jonathan; Ismail-Beigi, Faramarz; Weiss, Michael A

2012-03-01

Insulin is susceptible to thermal fibrillation, a misfolding process that leads to nonnative cross-β assembly analogous to pathological amyloid deposition. Pharmaceutical formulations are ordinarily protected from such degradation by sequestration of the susceptible monomer within native protein assemblies. With respect to the safety and efficacy of insulin pumps, however, this strategy imposes an intrinsic trade-off between pharmacokinetic goals (rapid absorption and clearance) and the requisite physical properties of a formulation (prolonged shelf life and stability within the reservoir). Available rapid-acting formulations are suboptimal in both respects; susceptibility to fibrillation is exacerbated even as absorption is delayed relative to the ideal specifications of a closed-loop system. To circumvent this molecular trade-off, we exploited structural models of insulin fibrils and amyloidogenic intermediates to define an alternative protective mechanism. Single-chain insulin (SCI) analogs were shown to be refractory to thermal fibrillation with maintenance of biological activity for more than 3 months under conditions that promote the rapid fibrillation and inactivation of insulin. The essential idea exploits an intrinsic incompatibility between SCI topology and the geometry of cross-β assembly. A peptide tether was thus interposed between the A- and B-chains whose length was (a) sufficiently long to provide the "play" needed for induced fit of the hormone on receptor binding and yet (b) sufficiently short to impose a topological barrier to fibrillation. Our findings suggest that ultrastable monomeric SCI analogs may be formulated without protective self-assembly and so permit simultaneous optimization of pharmacokinetics and reservoir life. © 2012 Diabetes Technology Society.

Effects of polymer stresses on analogy between momentum and heat transfer in drag-reduced turbulent channel flow

NASA Astrophysics Data System (ADS)

Kim, Kyoungyoun; Sureshkumar, Radhakrishna

2018-03-01

The effects of polymer stresses on the analogy between momentum and heat transfer are examined by using a direct numerical simulation (DNS) of viscoelastic turbulent channel flows using a constant heat flux boundary condition. The Reynolds number based on the friction velocity and channel half height is 125, and the Prandtl number is 5. The polymer stress is modeled using the finitely extensible nonlinear elastic-Peterlin constitutive model, and low (15%), intermediate (34%), and high drag reduction (DR) (52%) cases are examined. The Colburn analogy is found to be inapplicable for viscoelastic turbulent flows, suggesting dissimilarity between the momentum and heat transfer at the macroscopic coefficient level. The mean temperature profile also shows behaviour different from the mean velocity profile in drag-reduced flows. In contrast to the dissimilarity in the mean profiles, the turbulent Prandtl number Prt predicted by the DNS is near unity. This implies that turbulent heat transfer is still analogous to turbulent momentum transfer in drag-reduced flows, as in Newtonian flow. An increase in DR is accompanied by an increase in the correlation coefficient ρuθ between the instantaneous fluctuations in the streamwise velocity u and temperature θ. The correlation coefficient between u' and wall-normal velocity fluctuations v', ρ-u v, exhibits a profile similar to that of ρ-θ v in drag-reduced and Newtonian flows. Finally, the budget analysis of the transport equations of turbulent heat flux shows a strong similarity between the turbulent momentum and heat transfer, which is consistent with the predictions of Prt near unity.

Direct production of OH radicals upon CH overtone activation of (CH{sub 3}){sub 2}COO Criegee intermediates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Fang; Beames, Joseph M.; Lester, Marsha I., E-mail: milester@sas.upenn.edu

2014-12-21

Ozonolysis of alkenes, a principle non-photolytic source of atmospheric OH radicals, proceeds through unimolecular decay of energized carbonyl oxide intermediates, known as Criegee intermediates. In this work, cold dimethyl-substituted Criegee intermediates are vibrationally activated in the CH stretch overtone region to drive the 1,4 hydrogen transfer reaction that leads to OH radical products. IR excitation of (CH{sub 3}){sub 2}COO reveals the vibrational states with sufficient oscillator strength, coupling to the reaction coordinate, and energy to surmount the effective barrier (≤ 16.0 kcal mol{sup −1}) to reaction. Insight on the dissociation dynamics is gleaned from homogeneous broadening of the spectral features,more » indicative of rapid intramolecular vibrational energy redistribution and/or reaction, as well as the quantum state distribution of the OH X{sup 2}Π (v = 0) products. The experimental results are compared with complementary electronic structure calculations, which provide the IR absorption spectrum and geometric changes along the intrinsic reaction coordinate. Additional theoretical analysis reveals the vibrational modes and couplings that permit (CH{sub 3}){sub 2}COO to access to the transition state region for reaction. The experimental and theoretical results are compared with an analogous recent study of the IR activation of syn-CH{sub 3}CHOO and its unimolecular decay to OH products [F. Liu, J. M. Beames, A. S. Petit, A. B. McCoy, and M. I. Lester, Science 345, 1596 (2014)].« less

The thermally reversing window in ternary GexPxS1-2x glasses

NASA Astrophysics Data System (ADS)

Vempati, U.; Boolchand, P.

2004-11-01

GexPxS1-2x glasses in the compositional range 0.05 \\le x \\le 0.19 have been synthesized and examined in temperature modulated differential scanning calorimetry (MDSC) and Raman scattering experiments. Trends in the non-reversing enthalpy ΔHnr(x) near Tg show the term to almost vanish in the 0.090(5)0.135. In analogy to previous results on chalcogenide glasses, we identify compositions at x<0.09 to be elastically floppy, those in the 0.0900.135 to be stressed rigid. MDSC results also show that the ΔHnr term ages in the stressed-rigid and floppy phases but not in the intermediate phase. The intermediate phase is viewed to be a self-organized phase of a disordered network. It consists of at least four isostatically rigid local structures: corner-sharing GeS4, edge-sharing GeS2, pyramidal P(S1/2)3 and quasi-tetrahedral S = P(S1/2)3 units for which evidence comes from Raman scattering. The latter method also shows the existence of P4S7 and P4S10 molecules in the glasses segregated from the backbone. These aspects of structure contribute to an intermediate phase that is significantly narrower in width than in the corresponding selenide glasses.

A paradigm shift for radical SAM reactions: The organometallic intermediate Ω is central to catalysis.

PubMed

Byer, Amanda S; Yang, Hao; McDaniel, Elizabeth C; Kathiresan, Venkatesan; Impano, Stella; Pagnier, Adrien; Watts, Hope; Denler, Carly; Vagstad, Anna; Piel, Jörn; Duschene, Kaitlin S; Shepard, Eric M; Shields, Thomas P; Scott, Lincoln G; Lilla, Edward A; Yokoyama, Kenichi; Broderick, William E; Hoffman, Brian M; Broderick, Joan B

2018-06-28

Radical S-adenosyl-L-methionine (SAM) en-zymes comprise a vast superfamily catalyzing diverse reactions essential to all life through ho-molytic SAM cleavage to liberate the highly-reactive 5-deoxyadenosyl radical (5-dAdo•). Our recent observation of a catalytically compe-tent organometallic intermediate Ω that forms dur-ing reaction of the radical SAM (RS) enzyme py-ruvate formate-lyase activating-enzyme (PFL-AE) was therefore quite surprising, and led to the question of its broad relevance in the superfamily. We now show that Ω in PFL-AE forms as an in-termediate under a variety of mixing order condi-tions, suggesting it is central to catalysis in this enzyme. We further demonstrate that Ω forms in a suite of RS enzymes chosen to span the totality of superfamily reaction types, implicating Ω as essential in catalysis across the RS superfamily. Finally, EPR and electron nuclear double reso-nance spectroscopy establish that Ω involves an Fe-C5 bond between 5-dAdo• and the [4Fe-4S] cluster. An analogous organometallic bond is found in the well-known adenosylcobalamin (co-enzyme B12) cofactor used to initiate radical reac-tions via a 5'-dAdo• intermediate. Generation of a 5'-dAdo• intermediate via homolytic metal-carbon bond cleavage thus appears to be similar for Ω and coenzyme B12. However coenzyme B12 is involved in enzymes catalyzing of only a small number (~12) of distinct reactions, while the RS superfamily has more than 100,000 distinct se-quences and over 80 reaction types character-ized to date. The appearance of Ω across the RS superfamily therefore dramatically enlarges the sphere of bio-organometallic chemistry in Nature.

46 CFR 72.05-20 - Stairways, ladders, and elevators.

Code of Federal Regulations, 2010 CFR

2010-10-01

... factor of safety of 4 based on the ultimate strength. (j) The stringers, treads, and all platforms and... means of an intermediate landing of rectangular or nearly rectangular shape based on the actual...) Except as further noted the provisions of this section apply to all vessels. (2) For small vessels...

46 CFR 72.05-20 - Stairways, ladders, and elevators.

Code of Federal Regulations, 2011 CFR

2011-10-01

... factor of safety of 4 based on the ultimate strength. (j) The stringers, treads, and all platforms and... means of an intermediate landing of rectangular or nearly rectangular shape based on the actual...) Except as further noted the provisions of this section apply to all vessels. (2) For small vessels...

Sind Sie fit (Are You in Shape)?: Calisthenics in German.

ERIC Educational Resources Information Center

Wolter, Don

This packet of instructional materials, intended for intermediate and advanced German students, contains a student's section and a teacher's guide focusing on calisthenics. The student section contains three illustrated transcriptions of radio programs on calisthenics for early morning listeners of "Der bayrische Rundfunk" in West Germany.…

Comparison of the redox chemistry of sulfur- and selenium-containing analogs of uracil.

PubMed

Payne, N Connor; Geissler, Andrew; Button, Aileen; Sasuclark, Alexandru R; Schroll, Alayne L; Ruggles, Erik L; Gladyshev, Vadim N; Hondal, Robert J

2017-03-01

Selenium is present in proteins in the form of selenocysteine, where this amino acid serves catalytic oxidoreductase functions. The use of selenocysteine in nature is strongly associated with redox catalysis. However, selenium is also found in a 2-selenouridine moiety at the wobble position of tRNA Glu , tRNA Gln and tRNA Lys . It is thought that the modifications of the wobble position of the tRNA improves the selectivity of the codon-anticodon pair as a result of the physico-chemical changes that result from substitution of sulfur and selenium for oxygen. Both selenocysteine and 2-selenouridine have widespread analogs, cysteine and thiouridine, where sulfur is used instead. To examine the role of selenium in 2-selenouridine, we comparatively analyzed the oxidation reactions of sulfur-containing 2-thiouracil-5-carboxylic acid (s 2 c 5 Ura) and its selenium analog 2-selenouracil-5-carboxylic acid (se 2 c 5 Ura) using 1 H-NMR spectroscopy, 77 Se-NMR spectroscopy, and liquid chromatography-mass spectrometry. Treatment of s 2 c 5 Ura with hydrogen peroxide led to oxidized intermediates, followed by irreversible desulfurization to form uracil-5-carboxylic acid (c 5 Ura). In contrast, se 2 c 5 Ura oxidation resulted in a diselenide intermediate, followed by conversion to the seleninic acid, both of which could be readily reduced by ascorbate and glutathione. Glutathione and ascorbate only minimally prevented desulfurization of s 2 c 5 Ura, whereas very little deselenization of se 2 c 5 Ura occurred in the presence of the same antioxidants. In addition, se 2 c 5 Ura but not s 2 c 5 Ura showed glutathione peroxidase activity, further suggesting that oxidation of se 2 c 5 Ura is readily reversible, while oxidation of s 2 c 5 Ura is not. The results of the study of these model nucleobases suggest that the use of 2-selenouridine is related to resistance to oxidative inactivation that otherwise characterizes 2-thiouridine. As the use of selenocysteine in proteins also confers resistance to oxidation, our findings suggest a common mechanism for the use of selenium in biology. Copyright © 2017. Published by Elsevier Inc.

Bacillus anthracis o-succinylbenzoyl-CoA synthetase: reaction kinetics and a novel inhibitor mimicking its reaction intermediate †

PubMed Central

Tian, Yang; Suk, Dae-Hwan; Cai, Feng; Crich, David; Mesecar, Andrew D.

2009-01-01

O-succinylbenzoyl-CoA (OSB-CoA) synthetase (EC 6.2.1.26) catalyzes the ATP-dependent condensation of o-succinylbenzoate (OSB) and CoA to form OSB-CoA, the fourth step of the menaquinone biosynthetic pathway in Bacillus anthracis. Gene knockout studies have highlighted this enzyme as a potential target for the discovery of new antibiotics. Here we report the first studies on the kinetic mechanism of B. anthracis OSB-CoA synthetase, classifying it as an ordered Bi Uni Uni Bi ping-pong mechanism. Through a series of pre-steady-state and steady-state kinetic studies in conjunction with direct-binding studies, it is demonstrated that CoA, the last substrate to bind, strongly activates the first half-reaction after the first round of turnover. The activation of the first-half reaction is most likely achieved by CoA stabilizing conformations of the enzyme in the ‘F’ form, which slowly isomerize back to the E form. Thus, the kinetic mechanism of OSB-CoA synthetase may be more accurately described as an ordered Bi Uni Uni Bi Iso ping-pong mechanism. The substrate specificity of OSB-CoA synthetase was probed using a series of OSB analogs with alterations in the carboxylate groups. OSB-CoA shows a strong preference for OSB over all of the analogs tested as none were active except 4-(2-trifluoromethylphenyl)-4-oxobutyric acid which exhibited a 100-fold decrease in kcat/Km. Based on an understanding of OSB-CoA synthetase’s kinetic mechanism and substrate specificity, a reaction intermediate analog of OSB-AMP, 5’-O-(N-(2-trifluoromethylphenyl)-4-oxobutyl) adenosine sulfonamide (TFMP-butyl-AMS), was designed and synthesized. This inhibitor was found to be an uncompetitive inhibitor to CoA and a mixed-type inhibitor to ATP and OSB with low micromolar inhibition constants. Collectively, these results should serve as an important forerunner to more detailed and extensive inhibitor design studies aimed at developing lead compounds against the OSB-CoA synthetase class of enzymes. PMID:18973344

Comparison of the redox chemistry of sulfur- and selenium-containing analogs of uracil✰

PubMed Central

Payne, N. Connor; Geissler, Andrew; Button, Aileen; Sasuclark, Alexandru R.; Schroll, Alayne L.; Ruggles, Erik L.; Gladyshev, Vadim N.; Hondal, Robert J.

2017-01-01

Selenium is present in proteins in the form of selenocysteine, where this amino acid serves catalytic oxidoreductase functions. The use of selenocysteine in nature is strongly associated with redox catalysis. However, selenium is also found in a 2-selenouridine moiety at the wobble position of tRNAGlu, tRNAGln and tRNALys. It is thought that the modifications of the wobble position of the tRNA improves the selectivity of the codon-anticodon pair as a result of the physico-chemical changes that result from substitution of sulfur and selenium for oxygen. Both selenocysteine and 2-selenouridine have widespread analogs, cysteine and thiouridine, where sulfur is used instead. To examine the role of selenium in 2-selenouridine, we comparatively analyzed the oxidation reactions of sulfur-containing 2-thiouracil-5-carboxylic acid (s2c5Ura) and its selenium analog 2-selenouracil-5-carboxylic acid (se2c5Ura) using 1H-NMR spectroscopy, 77Se-NMR spectroscopy, and liquid chromatography-mass spectrometry. Treatment of s2c5Ura with hydrogen peroxide led to oxidized intermediates, followed by irreversible desulfurization to form uracil-5-carboxylic acid (c5Ura). In contrast, se2c5Ura oxidation resulted in a diselenide intermediate, followed by conversion to the seleninic acid, both of which could be readily reduced by ascorbate and glutathione. Glutathione and ascorbate only minimally prevented desulfurization of s2c5Ura, whereas very little deselenization of se2c5Ura occurred in the presence of the same antioxidants. In addition, se2c5Ura but not s2c5Ura showed glutathione peroxidase activity, further suggesting that oxidation of se2c5Ura is readily reversible, while oxidation of s2c5Ura is not. The results of the study of these model nucleobases suggest that the use of 2-selenouridine is related to resistance to oxidative inactivation that otherwise characterizes 2-thiouridine. As the use of selenocysteine in proteins also confers resistance to oxidation, our findings suggest a common mechanism for the use of selenium in biology. PMID:28108278

Trends in Medicaid Reimbursements for Insulin From 1991 Through 2014.

PubMed

Luo, Jing; Avorn, Jerry; Kesselheim, Aaron S

2015-10-01

Insulin is a vital medicine for patients with diabetes mellitus. Newer, more expensive insulin products and the lack of generic insulins in the United States have increased costs for patients and insurers. To examine Medicaid payment trends for insulin products. Cost information is available for all 50 states and has been recorded since the 1990s. A time-series analysis comparing reimbursements and prices. Using state- and national-level Medicaid data from 1991 to 2014, we identified all patients who used 1 or more of the 16 insulin products that were continuously available in the United States between 2006 and 2014. Insulin products were classified into rapid-acting and long-acting analogs, short-acting, intermediate, and premixed insulins based on American Diabetes Association Guidelines. Inflation-adjusted payments made to pharmacies by Medicaid per 1 mL (100 IU) of insulin in 2014 US dollars. Since 1991, Medicaid reimbursement per unit (1 mL) of insulin dispensed has risen steadily. In the 1990s, Medicaid reimbursed pharmacies between $2.36 and $4.43 per unit. By 2014, reimbursement for short-acting insulins increased to $9.64 per unit; intermediate, $9.22; premixed, $14.79; and long-acting, $19.78. Medicaid reimbursement for rapid-acting insulin analogs rose to $19.81 per unit. The rate of increase in reimbursement was higher for insulins with patent protection ($0.20 per quarter) than without ($0.05 per quarter) (P<.001).Total Medicaid reimbursements peaked at $407.4 million dollars in quarter 2 of 2014. Total volume peaked at 29.9 million units in quarter 4 of 2005 and was 21.2 million units in quarter 2 of 2014. Between 1991 and 2014, there was a near-exponential upward trend in Medicaid payments on a per-unit basis for a wide variety of insulin products regardless of formulation, duration of action, and whether the product was patented. Although reimbursements for newer, patent-protected insulin analogs increased at a faster rate than reimbursements for older insulins, payments increased for all products we examined. Our findings suggest a lack of price competition in the United States for this class of medications.

Microwave analog experiments on optically soft spheroidal scatterers with weak electromagnetic signature

NASA Astrophysics Data System (ADS)

Saleh, H.; Charon, J.; Dauchet, J.; Tortel, H.; Geffrin, J.-M.

2017-07-01

Light scattering by optically soft particles is being theoretically investigated in many radiative studies. An interest is growing up to develop approximate methods when the resolution of Maxwell's equations is impractical due to time and/or memory size problems with objects of complex geometries. The participation of experimental studies is important to assess novel approximations when no reference solution is available. The microwave analogy represents an efficient solution to perform such electromagnetic measurements in controlled conditions. In this paper, we take advantage of the particular features of our microwave device to present an extensive experimental study on the electromagnetic scattering by spheroidal particles analogs with low refractive indices, as a first step toward the assessment of micro-organisms with low refractive index and heterogeneities. The spheroidal analogs are machined from a low density material and they mimic soft particles of interest to the light scattering community. The measurements are confronted to simulations obtained with Finite Element Method and T-Matrix method. A good agreement is obtained even with refractive index as low as 1.13. Scattered signals of low intensities are correctly measured and the position of the targets is precisely controlled. The forward scattering measurements show high sensitivity to noise and require careful extraction. The configuration of the measurement device reveals different technical requirements between forward and backward scattering directions. The results open interesting perspectives about novel measurement procedures as well as about the use of high prototyping technologies to manufacture analogs of precise refractive indices and shapes.

Parallel capillary-tube-based extension of thermoacoustic theory for random porous media.

PubMed

Roh, Heui-Seol; Raspet, Richard; Bass, Henry E

2007-03-01

Thermoacoustic theory is extended to stacks made of random bulk media. Characteristics of the porous stack such as the tortuosity and dynamic shape factors are introduced into the thermoacoustic wave equation in the low reduced frequency approximation. Basic thermoacoustic equations for a bulk porous medium are formulated analogously to the equations for a single pore. Use of different dynamic shape factors for the viscous and thermal effects is adopted and scaling using the dynamic shape factors and tortuosity is demonstrated. Comparisons of the calculated and experimentally derived thermoacoustic properties of reticulated vitreous carbon and aluminum foam show good agreement. A consistent mathematical model of sound propagation in a random porous medium with an imposed temperature is developed. This treatment leads to an expression for the coefficient of the temperature gradient in terms of scaled cylindrical thermoviscous functions.

Fast collimated neutron flux measurement using stilbene scintillator and flashy analog-to-digital converter in JT-60U

NASA Astrophysics Data System (ADS)

Ishikawa, M.; Itoga, T.; Okuji, T.; Nakhostin, M.; Shinohara, K.; Hayashi, T.; Sukegawa, A.; Baba, M.; Nishitani, T.

2006-10-01

A line-integrated neutron emission profile is routinely measured using the radial neutron collimator system in JT-60U tokamak. Stilbene neuron detectors (SNDs), which combine a stilbene organic crystal scintillation detector (SD) with an analog neutron-gamma pulse shape discrimination (PSD) circuit, have been used to measure collimated neutron flux. Although the SND has many advantages as a neutron detector, the maximum count rate is limited up to ˜1×105counts/s due to the analog PSD circuit. To overcome this issue, a digital signal processing system (DSPS) using a flash analog-to-digital converter (Acqiris DC252, 8GHz, 10bits) has been developed at Cyclotron and Radioisotope Center in Tohoku University. In this system anode signals from photomultiplier of the SD are directory stored and digitized. Then, the PSD between neutrons and gamma rays is performed using software. The DSPS has been installed in the vertical neutron collimator system in JT-60U and applied to deuterium experiments. It is confirmed that the PSD is sufficiently performed and collimated neutron flux is successfully measured with count rate up to ˜5×105counts/s without the effect of pileup of detected pulses. The performance of the DSPS as a neutron detector, which supersedes the SND, is demonstrated.

Measurement and Analysis of Multiple Output Transient Propagation in BJT Analog Circuits

NASA Astrophysics Data System (ADS)

Roche, Nicolas J.-H.; Khachatrian, A.; Warner, J. H.; Buchner, S. P.; McMorrow, D.; Clymer, D. A.

2016-08-01

The propagation of Analog Single Event Transients (ASETs) to multiple outputs of Bipolar Junction Transistor (BJTs) Integrated Circuits (ICs) is reported for the first time. The results demonstrate that ASETs can appear at several outputs of a BJT amplifier or comparator as a result of a single ion or single laser pulse strike at a single physical location on the chip of a large-scale integrated BJT analog circuit. This is independent of interconnect cross-talk or charge-sharing effects. Laser experiments, together with SPICE simulations and analysis of the ASET's propagation in the s-domain are used to explain how multiple-output transients (MOTs) are generated and propagate in the device. This study demonstrates that both the charge collection associated with an ASET and the ASET's shape, commonly used to characterize the propagation of SETs in devices and systems, are unable to explain quantitatively how MOTs propagate through an integrated analog circuit. The analysis methodology adopted here involves combining the Fourier transform of the propagating signal and the current-source transfer function in the s-domain. This approach reveals the mechanisms involved in the transient signal propagation from its point of generation to one or more outputs without the signal following a continuous interconnect path.

Universal Representation of the H-like Spectral Line Shapes

NASA Astrophysics Data System (ADS)

Bureyeva, L.

2009-05-01

A universal approach for the calculation of Rydberg atom line shapes in plasmas is developed. It is based on analytical formulas for the intensity distribution in radiation transitions n→n' between highly excited atomic states with large values of principal quantum numbers n, n'≫1, with Δ n = n-n'≪n, and on the Frequency Fluctuation Model (FFM) to account of electron and ion thermal motion effects. The theory allows to describe a transition from the static to the impact broadening domains for every hydrogen spectral line. A new approach to extremely fast line shape calculations with account of charged particle dynamic effect was proposed. The approach is based on the close analogy between the static-impact broadening transition in the spectral line shape theory and the Doppler-Lorentz broadening in the Dicke narrowing effect theory. The precision of the new approach was tested by the comparison of hydrogen-alpha and beta line shapes calculations with the FFM results. The excellent agreement was discovered, the computer time decreased two orders of magnitudes as compared with the FFM.

Target-induced Catalytic Assembly of Y-Shaped DNA and Its Application for In Situ Imaging of MicroRNAs.

PubMed

Xue, Chang; Zhang, Shu-Xin; Ouyang, Chang-He; Chang, Dingran; Salena, Bruno J; Li, Yingfu; Wu, Zai-Sheng

2018-06-14

DNA is a highly programmable material that can be configured into unique high-order structures, such as DNA branched junctions containing multiple helical arms converging at a center. Herein we show that DNA programmability can deliver in situ growth of a 3-way junction-based DNA structure (denoted Y-shaped DNA) with the use of three hairpin-shaped DNA molecules as precursors, a specific microRNA target as a recyclable trigger, and a DNA polymerase as a driver. We demonstrate that the Y-shaped configuration comes with the benefit of restricted freedom of movement in confined cellular environment, which makes the approach ideally suited for in situ imaging of small RNA targets, such as microRNAs. Comparative analysis illustrates that the proposed imaging technique is superior to both the classic fluorescence in situ hybridization (FISH) method and an analogous amplified imaging method via programmed growth of a double-stranded DNA (rather than Y-shaped DNA) product. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Structure of RNA 3′-phosphate cyclase bound to substrate RNA

PubMed Central

Desai, Kevin K.; Bingman, Craig A.; Cheng, Chin L.; Phillips, George N.

2014-01-01

RNA 3′-phosphate cyclase (RtcA) catalyzes the ATP-dependent cyclization of a 3′-phosphate to form a 2′,3′-cyclic phosphate at RNA termini. Cyclization proceeds through RtcA–AMP and RNA(3′)pp(5′)A covalent intermediates, which are analogous to intermediates formed during catalysis by the tRNA ligase RtcB. Here we present a crystal structure of Pyrococcus horikoshii RtcA in complex with a 3′-phosphate terminated RNA and adenosine in the AMP-binding pocket. Our data reveal that RtcA recognizes substrate RNA by ensuring that the terminal 3′-phosphate makes a large contribution to RNA binding. Furthermore, the RNA 3′-phosphate is poised for in-line attack on the P–N bond that links the phosphorous atom of AMP to Nε of His307. Thus, we provide the first insights into RNA 3′-phosphate termini recognition and the mechanism of 3′-phosphate activation by an Rtc enzyme. PMID:25161314

A Detailed Chemical Kinetic Model for TNT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pitz, W J; Westbrook, C K

2005-01-13

A detailed chemical kinetic mechanism for 2,4,6-tri-nitrotoluene (TNT) has been developed to explore problems of explosive performance and soot formation during the destruction of munitions. The TNT mechanism treats only gas-phase reactions. Reactions for the decomposition of TNT and for the consumption of intermediate products formed from TNT are assembled based on information from the literature and on current understanding of aromatic chemistry. Thermodynamic properties of intermediate and radical species are estimated by group additivity. Reaction paths are developed based on similar paths for aromatic hydrocarbons. Reaction-rate constant expressions are estimated from the literature and from analogous reactions where themore » rate constants are available. The detailed reaction mechanism for TNT is added to existing reaction mechanisms for RDX and for hydrocarbons. Computed results show the effect of oxygen concentration on the amount of soot precursors that are formed in the combustion of RDX and TNT mixtures in N{sub 2}/O{sub 2} mixtures.« less

Inconclusive quantum measurements and decisions under uncertainty

NASA Astrophysics Data System (ADS)

Yukalov, Vyacheslav; Sornette, Didier

2016-04-01

We give a mathematical definition for the notion of inconclusive quantum measurements. In physics, such measurements occur at intermediate stages of a complex measurement procedure, with the final measurement result being operationally testable. Since the mathematical structure of Quantum Decision Theory has been developed in analogy with the theory of quantum measurements, the inconclusive quantum measurements correspond, in Quantum Decision Theory, to intermediate stages of decision making in the process of taking decisions under uncertainty. The general form of the quantum probability for a composite event is the sum of a utility factor, describing a rational evaluation of the considered prospect, and of an attraction factor, characterizing irrational, subconscious attitudes of the decision maker. Despite the involved irrationality, the probability of prospects can be evaluated. This is equivalent to the possibility of calculating quantum probabilities without specifying hidden variables. We formulate a general way of evaluation, based on the use of non-informative priors. As an example, we suggest the explanation of the decoy effect. Our quantitative predictions are in very good agreement with experimental data.

Structural Basis for Nicotinamide Inhibition and Base Exchange in Sir2 Enzymes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sanders, B.; Zhao, K; Slama, J

2007-01-01

The Sir2 family of proteins consists of broadly conserved NAD+-dependent deacetylases that are implicated in diverse biological processes, including DNA regulation, metabolism, and longevity. Sir2 proteins are regulated in part by the cellular concentrations of a noncompetitive inhibitor, nicotinamide, that reacts with a Sir2 reaction intermediate via a base-exchange reaction to reform NAD+ at the expense of deacetylation. To gain a mechanistic understanding of nicotinamide inhibition in Sir2 enzymes, we captured the structure of nicotinamide bound to a Sir2 homolog, yeast Hst2, in complex with its acetyl-lysine 16 histone H4 substrate and a reaction intermediate analog, ADP-HPD. Together with relatedmore » biochemical studies and structures, we identify a nicotinamide inhibition and base-exchange site that is distinct from the so-called 'C pocket' binding site for the nicotinamide group of NAD+. These results provide insights into the Sir2 mechanism of nicotinamide inhibition and have important implications for the development of Sir2-specific effectors.« less

Thermal collapse and hierarchy of polymorphs in a faujasite-type zeolite and its analogous melt-quenched glass

NASA Astrophysics Data System (ADS)

Palenta, Theresia; Fuhrmann, Sindy; Greaves, G. Neville; Schwieger, Wilhelm; Wondraczek, Lothar

2015-02-01

We examine the route of structural collapse and re-crystallization of faujasite-type (Na,K)-LSX zeolite. As the first step, a rather stable amorphous high density phase HDAcollapse is generated through an order-disorder transition from the original zeolite via a low density phase LDAcollapse, at around 790 °C. We find that the overall amorphization is driven by an increase in the bond angle distribution within T-O-T and a change in ring statistics to 6-membered TO4 (T = Si4+, Al3+) rings at the expense of 4-membered rings. The HDAamorph transforms into crystalline nepheline, though, through an intermediate metastable carnegieite phase. In comparison, the melt-derived glass of similar composition, HDAMQ, crystallizes directly into the nepheline phase without the occurrence of intermediate carnegieite. This is attributed to the higher structural order of the faujasite-derived HDAcollapse which prefers the re-crystallization into the highly symmetric carnegieite phase before transformation into nepheline with lower symmetry.

Oxygen Activation and Radical Transformations in Heme Proteins and Metalloporphyrins

PubMed Central

2017-01-01

As a result of the adaptation of life to an aerobic environment, nature has evolved a panoply of metalloproteins for oxidative metabolism and protection against reactive oxygen species. Despite the diverse structures and functions of these proteins, they share common mechanistic grounds. An open-shell transition metal like iron or copper is employed to interact with O2 and its derived intermediates such as hydrogen peroxide to afford a variety of metal–oxygen intermediates. These reactive intermediates, including metal-superoxo, -(hydro)peroxo, and high-valent metal–oxo species, are the basis for the various biological functions of O2-utilizing metalloproteins. Collectively, these processes are called oxygen activation. Much of our understanding of the reactivity of these reactive intermediates has come from the study of heme-containing proteins and related metalloporphyrin compounds. These studies not only have deepened our understanding of various functions of heme proteins, such as O2 storage and transport, degradation of reactive oxygen species, redox signaling, and biological oxygenation, etc., but also have driven the development of bioinorganic chemistry and biomimetic catalysis. In this review, we survey the range of O2 activation processes mediated by heme proteins and model compounds with a focus on recent progress in the characterization and reactivity of important iron–oxygen intermediates. Representative reactions initiated by these reactive intermediates as well as some context from prior decades will also be presented. We will discuss the fundamental mechanistic features of these transformations and delineate the underlying structural and electronic factors that contribute to the spectrum of reactivities that has been observed in nature as well as those that have been invented using these paradigms. Given the recent developments in biocatalysis for non-natural chemistries and the renaissance of radical chemistry in organic synthesis, we envision that new enzymatic and synthetic transformations will emerge based on the radical processes mediated by metalloproteins and their synthetic analogs. PMID:29286645

Two-photon-absorption line strengths for nitric oxide: Comparison of theory and sub-Doppler, laser-induced fluorescence measurements

NASA Astrophysics Data System (ADS)

Kulatilaka, Waruna D.; Lucht, Robert P.

2017-03-01

We discuss the results of high-resolution, sub-Doppler two-photon-absorption laser-induced fluorescence (TPALIF) spectroscopy of nitric oxide at low pressure and room temperature. The measurements were performed using the single-longitudinal mode output of a diode-laser-seeded optical parametric generator (OPG) system with a measured frequency bandwidth of 220 MHz. The measurements were performed using a counter-propagating pump beam geometry, resulting in sub-Doppler TPALIF spectra of NO for various rotational transitions in the (0,0) vibrational band of the A2Σ+ - X2Π electronic transition. The experimental results are compared with the results of a perturbative treatment of the rotational line strengths for the 20 different rotational branches of the X2Π(v″ = 0) → A2Σ+(v' = 0) two-photon absorption band. In the derivation of the expressions for the two-photon transition absorption strength, the closure relation is used for rotational states in the intermediate levels of the two-photon transition in analogy with the Placzek treatment of Raman transitions. The theoretical treatment of the effect of angular momentum coupling on the two-photon rotational line strengths features the use of irreducible spherical tensors and 3j symbols. The final results are expressed in terms of the Hund's case (a) coupling coefficients aJ and bJ for the X2Π(v″ = 0) rotational level wavefunctions, which are intermediate between Hund's case (a) and case (b). Considerable physical insight is provided by this final form of the equations for the rotational line strengths. Corrections to the two-photon absorption rotational line strength for higher order effects such as centrifugal stretching can be included in a straightforward fashion in the analysis by incorporating higher order terms in these coupling coefficients aJ and bJ, although these corrections are essentially negligible for J < 50. The theoretical calculations of relative line intensities are in good agreement both with our experiment and with published experimental results. In addition, the calculated line shapes and relative intensities for closely spaced main branch and satellite transitions are in excellent agreement with our experimental measurements.

Modeling Linear and Cyclic PKS Intermediates through Atom Replacement

PubMed Central

2015-01-01

The mechanistic details of many polyketide synthases (PKSs) remain elusive due to the instability of transient intermediates that are not accessible via conventional methods. Here we report an atom replacement strategy that enables the rapid preparation of polyketone surrogates by selective atom replacement, thereby providing key substrate mimetics for detailed mechanistic evaluations. Polyketone mimetics are positioned on the actinorhodin acyl carrier protein (actACP) to probe the underpinnings of substrate association upon nascent chain elongation and processivity. Protein NMR is used to visualize substrate interaction with the actACP, where a tetraketide substrate is shown not to bind within the protein, while heptaketide and octaketide substrates show strong association between helix II and IV. To examine the later cyclization stages, we extended this strategy to prepare stabilized cyclic intermediates and evaluate their binding by the actACP. Elongated monocyclic mimics show much longer residence time within actACP than shortened analogs. Taken together, these observations suggest ACP-substrate association occurs both before and after ketoreductase action upon the fully elongated polyketone, indicating a key role played by the ACP within PKS timing and processivity. These atom replacement mimetics offer new tools to study protein and substrate interactions and are applicable to a wide variety of PKSs. PMID:25406716

Dehydration-driven stress transfer triggers intermediate-depth earthquakes

NASA Astrophysics Data System (ADS)

Ferrand, T. P.; Schubnel, A.; Hilairet, N.; Incel, S.; Deldicque, D.; Labrousse, L.; Gasc, J.; Renner, J.; Wang, Y.; Green, H. W., II

2016-12-01

Intermediate-depth earthquakes (30-300 km) have been extensively documented within subducting oceanic slabs but their physical mechanisms remain enigmatic. Earthquakes occur both in the upper and lower Wadati-Benioff planes of seismicity (UBP and LBP). The LBP is located in the mantle of the subducted oceanic lithosphere, 20-40 km below the plate interface. Several mechanisms have been proposed: dehydration embrittlement of antigorite, shear heating instabilities, and the reactivation of pre-existing shear zones. We dehydrated synthetic antigorite-olivine aggregates, a proxy for serpentinized mantle, during deformation at upper mantle conditions. Acoustic emissions (AEs) were recorded during dehydration of samples with antigorite contents as low as 5 vol.% and with up to 50 vol.%, deformed at pressures of 1.1 GPa and 3.5 GPa, respectively. Source characteristics of these AEs are compatible with faults sealed by fluid-bearing micro-pseudotachylytes in recovered samples, demonstrating that antigorite dehydration triggered dynamic shear failure of the olivine load-bearing network. These intermediate-depth earthquake analogs reconcile the apparent contradictions of previous laboratory studies and confirm that little mantle hydration, as suggested by seismic imaging, may suffice to generate LBP seismicity. We propose an alternative model to dehydration-embrittlement in which dehydration-induced stress transfer, rather than fluid overpressure, is the trigger of mantle rocks embrittlement.

Models of optical quantum computing

NASA Astrophysics Data System (ADS)

Krovi, Hari

2017-03-01

I review some work on models of quantum computing, optical implementations of these models, as well as the associated computational power. In particular, we discuss the circuit model and cluster state implementations using quantum optics with various encodings such as dual rail encoding, Gottesman-Kitaev-Preskill encoding, and coherent state encoding. Then we discuss intermediate models of optical computing such as boson sampling and its variants. Finally, we review some recent work in optical implementations of adiabatic quantum computing and analog optical computing. We also provide a brief description of the relevant aspects from complexity theory needed to understand the results surveyed.

Adiabatic Faraday effect in a two-level Hamiltonian formalism

NASA Astrophysics Data System (ADS)

Dasgupta, Basudeb; Raffelt, Georg G.

2010-12-01

The helicity of a photon traversing a magnetized plasma can flip when the B field along the trajectory slowly reverses. Broderick and Blandford have recently shown that this intriguing effect can profoundly change the usual Faraday effect for radio waves. We study this phenomenon in a formalism analogous to neutrino flavor oscillations: the evolution is governed by a Schrödinger equation for a two-level system consisting of the two photon helicities. Our treatment allows for a transparent physical understanding of this system and its dynamics. In particular, it allows us to investigate the nature of transitions at intermediate adiabaticities.

Sulfur-Specific Microbial Desulfurization of Sterically Hindered Analogs of Dibenzothiophene

PubMed Central

Lee, M. K.; Senius, J. D.; Grossman, M. J.

1995-01-01

Dibenzothiophenes (DBTs) bearing alkyl substitutions adjacent to the sulfur atom, such as 4,6-diethyldibenzothiophene (4,6-DEDBT), are referred to as sterically hindered with regard to access to the sulfur moiety. By using enrichment cultures with 4,6-DEDBT as the sole sulfur source, bacterial isolates which selectively remove sulfur from sterically hindered DBTs were obtained. The isolates were tentatively identified as Arthrobacter species. 4,6-DEDBT sulfone was shown to be an intermediate in the 4,6-DEDBT desulfurization pathway, and 2-hydroxy-3,3(prm1)-diethylbiphenyl (HDEBP) was identified as the sulfur-free end product. PMID:16535189

Linear acene derivatives - New routes to pentacene and naphthacene and the first synthesis of a triptycene with two anthracene moieties

NASA Technical Reports Server (NTRS)

Luo, Jihmei; Hart, Harold

1987-01-01

The cycloaddition of o-xylylene to arene 1,4-endoxides was used to construct linear arene derivatives. An analogous sequence but with naphthalene 1,4-endoxides gave naphthacenes. Dehydration of the di adducts from 4 and anthracene 1,4:5,8-diendoxides gave a mixture of 5,9,14,18- and 5,8,15,18-tetrahydroheptacenes 3 and 9. The previously unknown triptycene 2 was synthesized from 5,14-dihydropentacene, an intermediate in the new pentacene synthesis, in three steps and 29 percent overall yield.

Influence of boundary conditions on the existence and stability of minimal surfaces of revolution made of soap films

NASA Astrophysics Data System (ADS)

Salkin, Louis; Schmit, Alexandre; Panizza, Pascal; Courbin, Laurent

2014-09-01

Because of surface tension, soap films seek the shape that minimizes their surface energy and thus their surface area. This mathematical postulate allows one to predict the existence and stability of simple minimal surfaces. After briefly recalling classical results obtained in the case of symmetric catenoids that span two circular rings with the same radius, we discuss the role of boundary conditions on such shapes, working with two rings having different radii. We then investigate the conditions of existence and stability of other shapes that include two portions of catenoids connected by a planar soap film and half-symmetric catenoids for which we introduce a method of observation. We report a variety of experimental results including metastability—an hysteretic evolution of the shape taken by a soap film—explained using simple physical arguments. Working by analogy with the theory of phase transitions, we conclude by discussing universal behaviors of the studied minimal surfaces in the vicinity of their existence thresholds.

Liquid droplets of cross-linked actin filaments

NASA Astrophysics Data System (ADS)

Weirich, Kimberly; Banerjee, Shiladitya; Dasbiswas, Kinjal; Vaikuntanathan, Suriyanarayan; Gardel, Margaret

Soft materials constructed from biomolecules self-assemble into a myriad of structures that work in concert to support cell physiology. One critical soft material is the actin cytoskeleton, a viscoelastic gel composed of cross-linked actin filaments. Although actin networks are primarily known for their elastic properties, which are crucial to regulating cell mechanics, the viscous behavior has been theorized to enable shape changes and flows. We experimentally demonstrate a fluid phase of cross-linked actin, where cross-linker condenses dilute short actin filaments into spindle-shaped droplets, or tactoids. Tactoids have shape dynamics consistent with a continuum model of liquid crystal droplets. The cross-linker, which acts as a long range attractive interaction, analogous to molecular cohesion, controls the tactoid shape and dynamics, which reports on the liquid's interfacial tension and viscosity. We investigate how the cross-linker properties and filament length influence the liquid properties. These results demonstrate a novel mechanism to control organization of the actin cytoskeleton and provide insight into design principles for complex, macromolecular liquid phases.

Surfactant-Free Shape Control of Gold Nanoparticles Enabled by Unified Theoretical Framework of Nanocrystal Synthesis.

PubMed

Wall, Matthew A; Harmsen, Stefan; Pal, Soumik; Zhang, Lihua; Arianna, Gianluca; Lombardi, John R; Drain, Charles Michael; Kircher, Moritz F

2017-06-01

Gold nanoparticles have unique properties that are highly dependent on their shape and size. Synthetic methods that enable precise control over nanoparticle morphology currently require shape-directing agents such as surfactants or polymers that force growth in a particular direction by adsorbing to specific crystal facets. These auxiliary reagents passivate the nanoparticles' surface, and thus decrease their performance in applications like catalysis and surface-enhanced Raman scattering. Here, a surfactant- and polymer-free approach to achieving high-performance gold nanoparticles is reported. A theoretical framework to elucidate the growth mechanism of nanoparticles in surfactant-free media is developed and it is applied to identify strategies for shape-controlled syntheses. Using the results of the analyses, a simple, green-chemistry synthesis of the four most commonly used morphologies: nanostars, nanospheres, nanorods, and nanoplates is designed. The nanoparticles synthesized by this method outperform analogous particles with surfactant and polymer coatings in both catalysis and surface-enhanced Raman scattering. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Evolution of space open electric arc burning in the external axial magnetic field

NASA Astrophysics Data System (ADS)

Urusova, I. R.; Urusova, T. E.

2018-06-01

The calculation was made for open DC electric arc burning in an external uniform axial magnetic field. It was performed within the framework of a nonstationary three-dimensional mathematical model in approximation of partial local thermodynamic equilibrium of plasma. A "schematic" analog of electron temperature fluctuations was proposed for numerical realization of the open electric arc column of a helical shape. According to calculations, it was established that the column of the open electric arc takes a helical space shape. Plasma rotates around a longitudinal axis of the arc, at that the directions of plasma rotation near the cathode and the anode are opposite. In the arc cross-sections, the velocity of plasma rotation is unequal and the deviation value of the same part of the arc from the central axis varies in time. A helical shape of the open arc is not stable and varies in time. Apparently, the open arc cannot remain stable and invariable in the time helical shape in the external axial magnetic field.

Shaping up synthetic cells

NASA Astrophysics Data System (ADS)

Mulla, Yuval; Aufderhorst-Roberts, Anders; Koenderink, Gijsje H.

2018-07-01

How do the cells in our body reconfigure their shape to achieve complex tasks like migration and mitosis, yet maintain their shape in response to forces exerted by, for instance, blood flow and muscle action? Cell shape control is defined by a delicate mechanical balance between active force generation and passive material properties of the plasma membrane and the cytoskeleton. The cytoskeleton forms a space-spanning fibrous network comprising three subsystems: actin, microtubules and intermediate filaments. Bottom-up reconstitution of minimal synthetic cells where these cytoskeletal subsystems are encapsulated inside a lipid vesicle provides a powerful avenue to dissect the force balance that governs cell shape control. Although encapsulation is technically demanding, a steady stream of advances in this technique has made the reconstitution of shape-changing minimal cells increasingly feasible. In this topical review we provide a route-map of the recent advances in cytoskeletal encapsulation techniques and outline recent reports that demonstrate shape change phenomena in simple biomimetic vesicle systems. We end with an outlook toward the next steps required to achieve more complex shape changes with the ultimate aim of building a fully functional synthetic cell with the capability to autonomously grow, divide and move.

Theoretical study on third-order nonlinear optical properties in hexagonal graphene nanoflakes: Edge shape effect

NASA Astrophysics Data System (ADS)

Nagai, Hiroshi; Nakano, Masayoshi; Yoneda, Kyohei; Fukui, Hitoshi; Minami, Takuya; Bonness, Sean; Kishi, Ryohei; Takahashi, Hideaki; Kubo, Takashi; Kamada, Kenji; Ohta, Koji; Champagne, Benoît; Botek, Edith

2009-08-01

Using hybrid density functional theory methods, we investigate the second hyperpolarizabilities ( γ) of hexagonal shaped finite graphene fragments, which are referred to as hexagonal graphene nanoflakes (HGNFs), with two types of edge shapes: zigzag (Z) and armchair (A) edges. It is found that Z-HGNF, which gives intermediate diradical characters ( y), exhibits about 3.3 times larger orthogonal components of γ ( γ xxxx = γ yyyy in this case) than A-HGNF, which gives zero y value (closed-shell system). The γ density analysis reveals that this enhancement originates in the significant contribution of γ densities on edge regions in Z-HGNF. These observations strongly indicate that Z-HGNF is a promising candidate of open-shell singlet NLO systems.

An Invitation to Kitchen Earth Sciences, an Example of MISO Soup Convection Experiment in Classroom

NASA Astrophysics Data System (ADS)

Kurita, K.; Kumagai, I.; Davaille, A.

2008-12-01

In recent frontiers of earth sciences such as computer simulations and large-scale observations/experiments involved researchers are usually remote from the targets and feel difficulty in having a sense of touching the phenomena in hands. This results in losing sympathy for natural phenomena particularly among young researchers, which we consider a serious problem. We believe the analog experiments such as the subjects of "kitchen earth sciences" proposed here can be a remedy for this. Analog experiments have been used as an important tool in various research fields of earth science, particularly in the fields of developing new ideas. The experiment by H. Ramberg by using silicone pate is famous for guiding concept of the mantle dynamics. The term, "analog" means something not directly related to the target of the research but in analogical sense parallel comparison is possible. The advantages of the analog experiments however seem to have been overwhelmed by rapid progresses of computer simulations. Although we still believe in the present-day meaning, recently we are recognizing another aspect of its significance. The essence of "kitchen earth science" as an analog experiment is to provide experimental setups and materials easily from the kitchen, by which everyone can start experiments and participate in the discussion without special preparations because of our daily-experienced matter. Here we will show one such example which can be used as a heuristic subject in the classrooms at introductory level of earth science as well as in lunch time break of advanced researchers. In heated miso soup the fluid motion can be easily traced by the motion of miso "particles". At highly heated state immiscible part of miso convects with aqueous fluid. At intermediate heating the miso part precipitates to form a sediment layer at the bottom. This layered structure is destroyed regularly by the instability caused by accumulated heat in the miso layer as a bursting. By showing interesting movie we will discuss characteristics of the bursting and possible implications in the understanding of layered system in the planetary interior in the style of lunch time discussion.

Physics Of Variable-Polarity Plasma Arc Welding

NASA Technical Reports Server (NTRS)

Walsh, Daniel W.; Nunes, Arthur C., Jr.

1990-01-01

Report describes experimental study of some of the physical and chemical effects that occur during variable-polarity plasma arc (VPPA) keyhole welding of 2219 aluminum alloy. Comprised three major programs: (1) determination of effects of chemical additions (i.e., impurities) on structure and shape of bead and keyhole; (2) determination of flow in regions surrounding keyhole; (3) development of analog used easily to study flow in keyhole region.

Nanoparticle Delivery Of RNAi Therapeutics For Ocular Vesicant Injury

DTIC Science & Technology

2014-12-01

micellar nanoparticles stabilized with disulfide crosslinking, hypothesizing that PEG corona on micellar nanoparticles could reduce toxicity while...micelles. This is analogous to micelle assembly, where the shape control is governed by the volume ratio of the hydrophilic ( corona ) to...self-assembly of the complexes between siRNA and LPEI-g-PEG copolymer carriers. The PEG corona and reversibly crosslinked core of the micelles enable

Euler Strut: A Mechanical Analogy for Dynamics in the Vicinity of a Critical Point

ERIC Educational Resources Information Center

Bobnar, Jaka; Susman, Katarina; Parsegian, V. Adrian; Rand, Peter R.; Cepic, Mojca; Podgornik, Rudolf

2011-01-01

An anchored elastic filament (Euler strut) under an external point load applied to its free end is a simple model for a second-order phase transition. In the static case, a load greater than the critical load causes a Euler buckling instability, leading to a change in the filament's shape. The analysis of filament dynamics with an external point…

Protein Quality Control Acts on Folding Intermediates to Shape the Effects of Mutations on Organismal Fitness

PubMed Central

Bershtein, Shimon; Mu, Wanmeng; Serohijos, Adrian W. R.; Zhou, Jingwen; Shakhnovich, Eugene I.

2012-01-01

Summary What are the molecular properties of proteins that fall on the radar of protein quality control (PQC)? Here we mutate the E. coli’s gene encoding dihydrofolate reductase (DHFR), and replace it with bacterial orthologous genes to determine how components of PQC modulate fitness effects of these genetic changes. We find that chaperonins GroEL/ES and protease Lon compete for binding to molten globule intermediate of DHFR, resulting in a peculiar symmetry in their action: Over-expression of GroEL/ES and deletion of Lon both restore growth of deleterious DHFR mutants and most of the slow-growing orthologous DHFR strains. Kinetic steady-state modeling predicts and experimentation verifies that mutations affect fitness by shifting the flux balance in cellular milieu between protein production, folding and degradation orchestrated by PQC through the interaction with folding intermediates. PMID:23219534

Physical Model for the Evolution of the Genetic Code

NASA Astrophysics Data System (ADS)

Yamashita, Tatsuro; Narikiyo, Osamu

2011-12-01

Using the shape space of codons and tRNAs we give a physical description of the genetic code evolution on the basis of the codon capture and ambiguous intermediate scenarios in a consistent manner. In the lowest dimensional version of our description, a physical quantity, codon level is introduced. In terms of the codon levels two scenarios are typically classified into two different routes of the evolutional process. In the case of the ambiguous intermediate scenario we perform an evolutional simulation implemented cost selection of amino acids and confirm a rapid transition of the code change. Such rapidness reduces uncomfortableness of the non-unique translation of the code at intermediate state that is the weakness of the scenario. In the case of the codon capture scenario the survival against mutations under the mutational pressure minimizing GC content in genomes is simulated and it is demonstrated that cells which experience only neutral mutations survive.

Interrogating viral capsid assembly with ion mobility-mass spectrometry

NASA Astrophysics Data System (ADS)

Uetrecht, Charlotte; Barbu, Ioana M.; Shoemaker, Glen K.; van Duijn, Esther; Heck, Albert J. R.

2011-02-01

Most proteins fulfil their function as part of large protein complexes. Surprisingly, little is known about the pathways and regulation of protein assembly. Several viral coat proteins can spontaneously assemble into capsids in vitro with morphologies identical to the native virion and thus resemble ideal model systems for studying protein complex formation. Even for these systems, the mechanism for self-assembly is still poorly understood, although it is generally thought that smaller oligomeric structures form key intermediates. This assembly nucleus and larger viral assembly intermediates are typically low abundant and difficult to monitor. Here, we characterised small oligomers of Hepatitis B virus (HBV) and norovirus under equilibrium conditions using native ion mobility mass spectrometry. This data in conjunction with computational modelling enabled us to elucidate structural features of these oligomers. Instead of more globular shapes, the intermediates exhibit sheet-like structures suggesting that they are assembly competent. We propose pathways for the formation of both capsids.

Induction of thermotropic bicontinuous cubic phases in liquid-crystalline ammonium and phosphonium salts.

PubMed

Ichikawa, Takahiro; Yoshio, Masafumi; Hamasaki, Atsushi; Taguchi, Satomi; Liu, Feng; Zeng, Xiang-bing; Ungar, Goran; Ohno, Hiroyuki; Kato, Takashi

2012-02-08

Two series of wedge-shaped onium salts, one ammonium and the other phosphonium, having 3,4,5-tris(alkyloxy)benzyl moieties, exhibit thermotropic bicontinuous "gyroid" cubic (Cub(bi)) and hexagonal columnar liquid-crystalline (LC) phases by nanosegregation between ionophilic and ionophobic parts. The alkyl chain lengths on the cationic moieties, anion species, and alkyl chain lengths on the benzyl moieties have crucial effects on their thermotropic phase behavior. For example, triethyl-[3,4,5-tris(dodecyloxy)benzyl]ammonium hexafluorophosphate forms the thermotropic Ia3d Cub(bi) LC phase, whereas an analogous compound with trifluoromethanesulfonate anion shows no LC properties. Synchrotron small-angle diffraction intensities from the Ia3d Cub(bi) LC materials provide electron density maps in the bulk state. The resulting maps show convincingly that the Ia3d Cub(bi) structure is composed of three-dimensionally interconnected ion nanochannel networks surrounded by aliphatic domains. A novel differential mapping technique has been applied successfully. The map of triethyl-[3,4,5-tris(decyloxy)benzyl]ammonium tetrafluoroborate has been subtracted from that of the analogous ammonium salt with hexafluorophosphate anion in the Ia3d Cub(bi) phases. The differential map shows that the counteranions are located in the core of the three-dimensionally interconnected nanochannel networks. Changing from trimethyl- via triethyl- to tripropylammonium cation changes the phase from columnar to Cub(bi) to no mesophase, respectively. This sensitivity to the widened shape for the narrow end of the molecule is explained successfully by the previously proposed semiquantitative geometric model based on the radial distribution of volume in wedge-shaped molecules. The LC onium salts dissolve lithium tetrafluoroborate without losing the Ia3d Cub(bi) LC phase. The Cub(bi) LC materials exhibit efficient ion-transporting behavior as a result of their 3D interconnected ion nanochannel networks. The Ia3d Cub(bi) LC material formed by triethyl-[3,4,5-tris(decyloxy)benzyl]phosphonium tetrafluoroborate shows ionic conductivities higher than the analogous Ia3d Cub(bi) material based on ammonium salts. The present study indicates great potential of Cub(bi) LC nanostructures consisting of ionic molecules for development of transportation nanochannel materials.

Low-noise analog readout channel for SDD in X-ray spectrometry

NASA Astrophysics Data System (ADS)

Atkin, E.; Gusev, A.; Krivchenko, A.; Levin, V.; Malankin, E.; Normanov, D.; Rotin, A.; Sagdiev, I.; Samsonov, V.

2016-01-01

A low-noise analog readout channel optimized for operation with the Silicon Drift Detectors (SDDs) with built-in JFET is presented. The Charge Sensitive Amplifier (CSA) operates in a pulse reset mode using the reset diode built-in the SDD detector. The shaper is a 6th order semi-Gaussian filter with switchable discrete shaping times. The readout channel provides the Equivalent Noise Charge (ENC) of 12e- (simulation) and input dynamic range of 30 keV . The measured energy resolution at the 5,89 keV line of a 55Fe X-ray source is 336 eV (FWHM). The channel was prototyped via Europractice in the AMS 350 nm process as miniASIC. The simulation and first measurement results are presented in the paper.

Extensional flow of blood analog solutions in microfluidic devices

PubMed Central

Sousa, P. C.; Pinho, F. T.; Oliveira, M. S. N.; Alves, M. A.

2011-01-01

In this study, we show the importance of extensional rheology, in addition to the shear rheology, in the choice of blood analog solutions intended to be used in vitro for mimicking the microcirculatory system. For this purpose, we compare the flow of a Newtonian fluid and two well-established viscoelastic blood analog polymer solutions through microfluidic channels containing both hyperbolic and abrupt contractions∕expansions. The hyperbolic shape was selected in order to impose a nearly constant strain rate at the centerline of the microchannels and achieve a quasihomogeneous and strong extensional flow often found in features of the human microcirculatory system such as stenoses. The two blood analog fluids used are aqueous solutions of a polyacrylamide (125 ppm w∕w) and of a xanthan gum (500 ppm w∕w), which were characterized rheologically in steady-shear flow using a rotational rheometer and in extension using a capillary breakup extensional rheometer (CaBER). Both blood analogs exhibit a shear-thinning behavior similar to that of whole human blood, but their relaxation times, obtained from CaBER experiments, are substantially different (by one order of magnitude). Visualizations of the flow patterns using streak photography, measurements of the velocity field using microparticle image velocimetry, and pressure-drop measurements were carried out experimentally for a wide range of flow rates. The experimental results were also compared with the numerical simulations of the flow of a Newtonian fluid and a generalized Newtonian fluid with shear-thinning behavior. Our results show that the flow patterns of the two blood analog solutions are considerably different, despite their similar shear rheology. Furthermore, we demonstrate that the elastic properties of the fluid have a major impact on the flow characteristics, with the polyacrylamide solution exhibiting a much stronger elastic character. As such, these properties must be taken into account in the choice or development of analog fluids that are adequate to replicate blood behavior at the microscale. PMID:21483662

Phase behavior of a family of truncated hard cubes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gantapara, Anjan P., E-mail: A.P.Gantapara@uu.nl; Dijkstra, Marjolein, E-mail: M.Dijkstra1@uu.nl; Graaf, Joost de

2015-02-07

In continuation of our work in Gantapara et al., [Phys. Rev. Lett. 111, 015501 (2013)], we investigate here the thermodynamic phase behavior of a family of truncated hard cubes, for which the shape evolves smoothly from a cube via a cuboctahedron to an octahedron. We used Monte Carlo simulations and free-energy calculations to establish the full phase diagram. This phase diagram exhibits a remarkable richness in crystal and mesophase structures, depending sensitively on the precise particle shape. In addition, we examined in detail the nature of the plastic crystal (rotator) phases that appear for intermediate densities and levels of truncation.more » Our results allow us to probe the relation between phase behavior and building-block shape and to further the understanding of rotator phases. Furthermore, the phase diagram presented here should prove instrumental for guiding future experimental studies on similarly shaped nanoparticles and the creation of new materials.« less

Control of nitromethane photoionization efficiency with shaped femtosecond pulses.

PubMed

Roslund, Jonathan; Shir, Ofer M; Dogariu, Arthur; Miles, Richard; Rabitz, Herschel

2011-04-21

The applicability of adaptive femtosecond pulse shaping is studied for achieving selectivity in the photoionization of low-density polyatomic targets. In particular, optimal dynamic discrimination (ODD) techniques exploit intermediate molecular electronic resonances that allow a significant increase in the photoionization efficiency of nitromethane with shaped near-infrared femtosecond pulses. The intensity bias typical of high-photon number, nonresonant ionization is accounted for by reference to a strictly intensity-dependent process. Closed-loop adaptive learning is then able to discover a pulse form that increases the ionization efficiency of nitromethane by ∼150%. The optimally induced molecular dynamics result from entry into a region of parameter space inaccessible with intensity-only control. Finally, the discovered pulse shape is demonstrated to interact with the molecular system in a coherent fashion as assessed from the asymmetry between the response to the optimal field and its time-reversed counterpart.

How-to-Do-It: A Physical Model Illustrating Protein Synthesis on the Ribosome.

ERIC Educational Resources Information Center

Rogerson, Allen C.; Cheney, Richard W., Jr.

1989-01-01

Describes a way to help students grasp intermediate steps in the movement and relationships of the various components involved in the addition of an amino acid to a nascent peptide chain. Includes drawings of the model in operation, construction details, and suggested shapes and labeling of components. (RT)

Seeking key microorganisms for enhancing methane production in anaerobic digestion of waste sewage sludge.

PubMed

Mustapha, Nurul Asyifah; Hu, Anyi; Yu, Chang-Ping; Sharuddin, Siti Suhailah; Ramli, Norhayati; Shirai, Yoshihito; Maeda, Toshinari

2018-06-01

Efficient approaches for the utilization of waste sewage sludge have been widely studied. One of them is to use it for the bioenergy production, specifically methane gas which is well-known to be driven by complex bacterial interactions during the anaerobic digestion process. Therefore, it is important to understand not only microorganisms for producing methane but also those for controlling or regulating the process. In this study, azithromycin analogs belonging to macrolide, ketolide, and lincosamide groups were applied to investigate the mechanisms and dynamics of bacterial community in waste sewage sludge for methane production. The stages of anaerobic digestion process were evaluated by measuring the production of intermediate substrates, such as protease activity, organic acids, the quantification of bacteria and archaea, and its community dynamics. All azithromycin analogs used in this study achieved a high methane production compared to the control sample without any antibiotic due to the efficient hydrolysis process and the presence of important fermentative bacteria and archaea responsible in the methanogenesis stage. The key microorganisms contributing to the methane production may be Clostridia, Cladilinea, Planctomycetes, and Alphaproteobacteria as an accelerator whereas Nitrosomonadaceae and Nitrospiraceae may be suppressors for methane production. In conclusion, the utilization of antibiotic analogs of macrolide, ketolide, and lincosamide groups has a promising ability in finding the essential microorganisms and improving the methane production using waste sewage sludge.

Nonlinear finite element formulation for the large displacement analysis in multibody system dynamics

NASA Technical Reports Server (NTRS)

Rismantab-Sany, J.; Chang, B.; Shabana, A. A.

1989-01-01

A total Lagrangian finite element formulation for the deformable bodies in multibody mechanical systems that undergo finite relative rotations is developed. The deformable bodies are discretized using finite element methods. The shape functions that are used to describe the displacement field are required to include the rigid body modes that describe only large translational displacements. This does not impose any limitations on the technique because most commonly used shape functions satisfy this requirement. The configuration of an element is defined using four sets of coordinate systems: Body, Element, Intermediate element, Global. The body coordinate system serves as a unique standard for the assembly of the elements forming the deformable body. The element coordinate system is rigidly attached to the element and therefore it translates and rotates with the element. The intermediate element coordinate system, whose axes are initially parallel to the element axes, has an origin which is rigidly attached to the origin of the body coordinate system and is used to conveniently describe the configuration of the element in undeformed state with respect to the body coordinate system.

Learning from jellyfish: Fluid transport in muscular pumps at intermediate Reynolds numbers

NASA Astrophysics Data System (ADS)

Nawroth, Janna; Dabiri, John

2010-11-01

Biologically inspired hydrodynamic propulsion and maneuvering strategies promise the advancement of medical implants and minimally invasive clinical tools. We have chosen juvenile jellyfish as a model system for investigating fluid dynamics and morphological properties underlying fluid transport by a muscular pump at intermediate Reynolds numbers. Recently we have described how natural variations in viscous forces are balanced by changes in jellyfish body shape (phenotypic plasticity), to the effect of facilitating efficient body-fluid interaction. Complementing these studies in our live model organisms, we are also engaged in engineering an artificial jellyfish, that is, a jellyfish-inspired construct of a flexible plastic sheet actuated by a monolayer of rat cardiomyocytes. The main challenges here are (1) to derive a body shape and deformation suitable for effective fluid transport under physiological conditions, (2) to understand the mechanical properties of the muscular film and derive a design capable of the desired deformation, (3) to master the proper alignment and timely contraction of the muscle component needed to achieve the desired deformation, and (4) to evaluate the performance of the design.

Using analog instruments in Tracker video-based experiments to understand the phenomena of electricity and magnetism in physics education

NASA Astrophysics Data System (ADS)

Aguilar-Marín, Pablo; Chavez-Bacilio, Mario; Jáuregui-Rosas, Segundo

2018-05-01

Tracker is a piece of freeware software, designed to use video recorded images of the motion of objects as input data, and has been mostly applied in physics education to analyse and simulate physical phenomena in mechanics. In this work we report the application of Tracker to the study of experiments in electricity and magnetism using analog instruments for electrical signal measurements. As we are unable to directly video-track the motion of electrons in electric circuits, the angular deflections of the instruments’ pointers were video captured instead. The kinematic variables (angular position as a function of time) had to be related to the electrical ones (voltages and currents as a function of time). Two well-known experiments in physics teaching, the RC circuit for charging and discharging a capacitor and Faraday electromagnetic induction, were chosen to illustrate the procedures. The third experiment analysed and modeled with Tracker was the rather well-known electromagnetic retardation of disk- or cylinder-shaped magnets falling inside non-magnetic metallic pipes. Instead of metallic pipes we used an aluminum plate with an arrangement of a couple of parallelepiped-shaped magnets falling parallel to the plate. In the three cases studied, the experimental and the Tracker simulation results were in very good agreement. These outcomes show that it is possible to exploit the potential of Tracker software in areas other than mechanics, in areas where electrical signals are involved. The experiments are inexpensive and simple to perform, and are suitable for high school and introductory undergraduate courses in electricity, magnetism and electronics. We propose the use of Tracker combined with analog measuring devices to explore further its applications in electricity, magnetism, electronics and in other experimental sciences where electrical signals are involved.

Sawtooth oscillations in shaped plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lazarus, E. A.; Luce, T. C.; Burrell, K. H.

The role of interchange and internal kink modes in the sawtooth oscillations is explored by comparing bean- and oval-shaped plasmas. The n=1 instability that results in the collapse of the sawtooth has been identified as a quasi-interchange in the oval cases and the internal kink in the bean shape. The ion and electron temperature profiles are followed in detail through the sawtooth ramp. It is found that electron energy transport rates are very high in the oval and quite low in the bean shape. Ion energy confinement in the oval is excellent and the sawtooth amplitude ({delta}T/T) in the ionmore » temperature is much larger than that of the electrons. The sawtooth amplitudes for ions and electrons are comparable in the bean shape. The measured q profiles in the bean and oval shapes are found to be consistent with neoclassical current diffusion of the toroidal current, and the observed differences in q largely result from the severe differences in electron energy transport. For both shapes the collapse flattens the q profile and after the collapse return to q{sub 0} > or approx. 1. Recent results on intermediate shapes are reported. These shapes show that the electron energy transport improves gradually as the plasma triangularity is increased.« less

Dynamics and Energetics of Deformable Evaporating Droplets at Intermediate Reynolds Numbers.

NASA Astrophysics Data System (ADS)

Haywood, Ross Jeffrey

The behaviour of vaporizing droplets, representative of droplets present in hydrocarbon fuel sprays, has been investigated. A finite volume numerical model using a non-orthogonal, adaptive grid has been developed to examine both steady deformed and transient deforming droplet behaviour. Computations are made of the shapes of, and the velocity, pressure, temperature and concentration fields around and within n-heptane droplets evaporating in high temperature air environments at intermediate Reynolds and Weber numbers (10 <= Re <= 100, We <= 10). The numerical model has been rigorously tested by comparison with existing theoretical and numerical solutions and experimental data for problems of intermediate Reynolds number flows over spheroids, inviscid deforming droplets, viscous oscillating droplets, and transient deforming liquid droplets subjected to electrostatic fields. Computations show steady deformed droplets assuming oblate shapes with major axes perpendicular to the mean flow direction. When based on volume equivalent diameters, existing quasi-steady correlations of Nusselt and Sherwood numbers (Renksizbulut and Yuen (1983), Haywood et al. (1989), and Renksizbulut et al. (1991)) for spherical droplets are in good agreement with the numerical results. Providing they are based on actual frontal area, the computed drag coefficients are also reasonably well predicted by the existing quasi-steady drag correlation (Haywood et al. (1989), Renksizbulut and Yuen (1983)). A new correlation is developed for the total drag coefficient of quasi-steady deformed vaporizing droplets. The computed transient histories of droplets injected with an initial Reynolds number of 100 into 1000 K air at 1 and 10 atmospheres ambient pressure show strongly damped initial oscillations at frequencies within 25 percent of the theoretical natural frequency of Lamb (1932). Gas phase shear induced circulation within the droplets is responsible for the observed strong damping and promotes the formation of prolate shapes. The computed rates of heat and mass transfer of transient deforming drops are well predicted by the quasi-steady correlations indicated above.

Phenotypic differentiation of the Red Sea gastropods in response to the environmental deterioration: Geometric morphometric approach

NASA Astrophysics Data System (ADS)

Abdelhady, Ahmed Awad

2016-03-01

The negative impacts of degradation in the coastal zone of the Red Sea are becoming well known in upper portions of the trophic web (e.g., humans and fish), but are less well known among the benthic primary consumers. In addition, the degree to which heavy metals are entering the trophic web can be better-quantified using macrobenthos. Two-gastropod genera encompassing Echinolittorina subnodosa and Planaxis sulcatus from three different localities on the Egyptian coast of the Red Sea were examined in order to deduce the impact of environmental deterioration on the morphology of shells. The examined sites include clean pristine, slightly polluted, and markedly polluted rocky shores. Phosphate/lead industry is the main source of pollution in this zone. Because landmarks on the rugose Echinolittorina are difficult to define and to ensure finer resolution of the analyses, a newly 'grid-based' landmarks was implemented. Both Canonical Variate Analysis (CVA) and Thin Plate Spline (TPS) were particularly capable to capture and terrace the minor morphological variations accurately. Two phenotypes portioned among the environmentally different populations were recognized and interpreted as ecotypes with many intermediate forms. The first ecotype has a higher spire and smaller aperture and dominating the pristine site North of Marsa Alam, whereas the second ecotype has a globular shell shape with big aperture and dominating the markedly polluted site. The intermediate forms dominating the slightly polluted site. The shape differences are interpreted as an adaptive differentiation to different metal concentrations. As the morphological variation between the two-ecotypes of both taxa is still minors, and both ecotypes occur together with many intermediate forms, the phenotypic divergence stage has not yet accomplished. The gradational shape change among the investigated populations was positively correlated with index of Pollution (IP). As the human activities were the main driver of the phenotypic changes, hence anthropogenic impact may shift the evolution and/or the extinction rates.

Evaluation of primary androgen deprivation therapy in prostate cancer patients using the J-CAPRA risk score

PubMed Central

Akaza, Hideyuki; Hinotsu, Shiro; Usami, Michiyuki; Ogawa, Osamu; Kitamura, Tadaichi; Suzuki, Kazuhiro; Tsukamoto, Taiji; Naito, Seiji; Namiki, Mikio; Hirao, Yoshihiko; Murai, Masaru

2013-01-01

Purpose: To determine the influence of maximal androgen blockade (MAB) and non-MAB hormonal therapy with an luteinizing hormone releasing hormone (LHRH) analog on overall survival of prostate cancer patients in the Japan Study Group of Prostate Cancer (J-CaP) registry according to risk, as assessed using the novel J-CAPRA risk instrument. To undertake a multivariate analysis combining J-CAPRA risk score, type of hormonal therapy and comorbidities, in order to assess their impact on overall survival. Methods: The J-CaP database includes men in Japan diagnosed with any stage of prostate cancer between 2001 and 2003 and treated with primary androgen deprivation therapy (PADT), as monotherapy or in combination. A total of 26,272 men were enrolled and of these 19,265 were treated with PADT. This analysis was undertaken using the latest data set (30 April, 2010) including a total of 15,727 patients who received PADT and had follow-up data for periods ranging from 0 to 9.2 years. Results: MAB for prostate cancer patients with intermediate- or high-risk disease has a significant benefit in terms of overall survival compared with LHRH analog monotherapy or surgical castration alone. Better results may be achieved in older (≥75 years) patients. Patient comorbidities are an important factor in determining overall survival, notably in older patients, and should be considered when selecting therapy. Conclusions: Based on large-scale registry data, this report is the first to analyze the outcomes of MAB therapy in patients with prostate cancer at a wide range of disease stages. MAB therapy may provide significant survival benefits in intermediate- and high-risk patients. PMID:24223407

Proton-decaying, light nuclei accessed via the invariant-mass method

NASA Astrophysics Data System (ADS)

Brown, Kyle

2017-01-01

Two-nucleon decay is the most recently discovered nuclear decay mode. For proton-rich nuclei, the majority of multi-proton decays occur via sequential steps of one-proton emission. Direct two-proton (2p) decay was believed to occur only in even-Z nuclei beyond the proton drip line where one-proton decay is energy forbidden. This has been observed for the ground states of around a dozen nuclei including 6Be, the lightest case, and 54Zn, the heaviest case. Direct 2p decay has also recently been observed for isobaric analog states where all possible 1p intermediates are either isospin allowed and energy forbidden, or energy-allowed and isospin forbidden. For light proton emitters, the lifetimes are short enough that the invariant-mass technique is ideal for measuring the decay energy, intrinsic width and, for multi-proton decays, the momentum correlations between the fragments. I will describe recent measurements of proton emitters using the invariant-mass technique with the High Resolution Array (HiRA). I will present a new, high-statistics measurement on the sequential 2p decay of excited states in 17Ne. Measuring the momentum correlations between the decay fragments allow us to determine the 1p intermediate state through which the decay proceeds. I will present data on the isobaric-analog pair 8C and 8BIAS, which highlight the two known types of direct 2p decay. I will also present the first observation of 17Na, which is unbound with respect to three-proton emission. Finally I will present a new measurement on the width of the first-excited state of 9C and compare to recent theoretical calculations.

A Conserved START Domain Coenzyme Q-binding Polypeptide is Required for Efficient Q Biosynthesis, Respiratory Electron Transport, and Antioxidant Function in Saccharomyces cerevisiae

PubMed Central

Morvaridi, Susan; Saiki, Ryoichi; Johnson, Jarrett S.; Liau, Wei-Siang; Hirano, Kathleen; Kawashima, Tadashi; Ji, Ziming; Loo, Joseph A.; Shepherd, Jennifer N.; Clarke, Catherine F.

2014-01-01

Coenzyme Qn (ubiquinone or Qn) is a redox active lipid composed of a fully substituted benzoquinone ring and a polyisoprenoid tail of n isoprene units. Saccharomyces cerevisiae coq1-coq9 mutants have defects in Q biosynthesis, lack Q6, are respiratory defective, and sensitive to stress imposed by polyunsaturated fatty acids. The hallmark phenotype of the Q-less yeast coq mutants is that respiration in isolated mitochondria can be rescued by the addition of Q2, a soluble Q analog. Yeast coq10 mutants share each of these phenotypes, with the surprising exception that they continue to produce Q6. Structure determination of the Caulobacter crescentus Coq10 homolog (CC1736) revealed a steroidogenic acute regulatory protein-related lipid transfer (START) domain, a hydrophobic tunnel known to bind specific lipids in other START domain family members. Here we show that purified CC1736 binds Q2, Q3, Q10, or demethoxy-Q3 in an equimolar ratio, but fails to bind 3-farnesyl-4-hydroxybenzoic acid, a farnesylated analog of an early Q-intermediate. Over-expression of C. crescentus CC1736 or COQ8 restores respiratory electron transport and antioxidant function of Q6 in the yeast coq10 null mutant. Studies with stable isotope ring precursors of Q reveal that early Q-biosynthetic intermediates accumulate in the coq10 mutant and de novo Q-biosynthesis is less efficient than in the wild-type yeast or rescued coq10 mutant. The results suggest that the Coq10 polypeptide:Q (protein:ligand) complex may serve essential functions in facilitating de novo Q biosynthesis and in delivering newly synthesized Q to one or more complexes of the respiratory electron transport chain. PMID:23270816

Unity and disunity in evolutionary sciences: process-based analogies open common research avenues for biology and linguistics.

PubMed

List, Johann-Mattis; Pathmanathan, Jananan Sylvestre; Lopez, Philippe; Bapteste, Eric

2016-08-20

For a long time biologists and linguists have been noticing surprising similarities between the evolution of life forms and languages. Most of the proposed analogies have been rejected. Some, however, have persisted, and some even turned out to be fruitful, inspiring the transfer of methods and models between biology and linguistics up to today. Most proposed analogies were based on a comparison of the research objects rather than the processes that shaped their evolution. Focusing on process-based analogies, however, has the advantage of minimizing the risk of overstating similarities, while at the same time reflecting the common strategy to use processes to explain the evolution of complexity in both fields. We compared important evolutionary processes in biology and linguistics and identified processes specific to only one of the two disciplines as well as processes which seem to be analogous, potentially reflecting core evolutionary processes. These new process-based analogies support novel methodological transfer, expanding the application range of biological methods to the field of historical linguistics. We illustrate this by showing (i) how methods dealing with incomplete lineage sorting offer an introgression-free framework to analyze highly mosaic word distributions across languages; (ii) how sequence similarity networks can be used to identify composite and borrowed words across different languages; (iii) how research on partial homology can inspire new methods and models in both fields; and (iv) how constructive neutral evolution provides an original framework for analyzing convergent evolution in languages resulting from common descent (Sapir's drift). Apart from new analogies between evolutionary processes, we also identified processes which are specific to either biology or linguistics. This shows that general evolution cannot be studied from within one discipline alone. In order to get a full picture of evolution, biologists and linguists need to complement their studies, trying to identify cross-disciplinary and discipline-specific evolutionary processes. The fact that we found many process-based analogies favoring transfer from biology to linguistics further shows that certain biological methods and models have a broader scope than previously recognized. This opens fruitful paths for collaboration between the two disciplines. This article was reviewed by W. Ford Doolittle and Eugene V. Koonin.

High-resolution study of Gamow-Teller transitions in the 47Ti(3He,t)47V reaction

NASA Astrophysics Data System (ADS)

Ganioǧlu, E.; Fujita, H.; Fujita, Y.; Adachi, T.; Algora, A.; Csatlós, M.; Deaven, J. M.; Estevez-Aguado, E.; Guess, C. J.; Gulyás, J.; Hatanaka, K.; Hirota, K.; Honma, M.; Ishikawa, D.; Krasznahorkay, A.; Matsubara, H.; Meharchand, R.; Molina, F.; Okamura, H.; Ong, H. J.; Otsuka, T.; Perdikakis, G.; Rubio, B.; Scholl, C.; Shimbara, Y.; Susoy, G.; Suzuki, T.; Tamii, A.; Thies, J. H.; Zegers, R. G. T.; Zenihiro, J.

2013-01-01

Given the importance of Gamow-Teller (GT) transitions in nuclear structure and astrophysical nuclear processes, we have studied Tz=+3/2→+1/2, GT transitions starting from the 47Ti nucleus in the (3He,t) charge-exchange reaction at 0∘ and at an intermediate incident energy of 140 MeV/nucleon. The experiments were carried out at the Research Center for Nuclear Physics (RCNP), Osaka, using the high-resolution facility with a high-dispersion beam line and the Grand-Raiden spectrometer. With an energy resolution of 20 keV, individual GT transitions were observed and GT strength was derived for each state populated up to an excitation energy (Ex) of 12.5 MeV. The GT strength was widely distributed from low excitation energy up to 12.5 MeV, where we had to stop the analysis because of the high level density. The distribution of the GT strengths was compared with the results of shell model calculations using the GXPF1 interaction. The calculations could reproduce the experimental GT distributions well. The GT transitions from the ground state of 47Ti and the M1 transitions from the isobaric analog state in 47V to the same low-lying states in 47V are analogous. It was found that the ratios of GT transition strengths to the ground state, the 0.088-MeV state, and the 0.146-MeV state are similar to the ratios of the strengths of the analogous M1 transitions from the isobaric analog state (IAS) to these states. The measured distribution of the GT strengths was also compared with those starting from the Tz=+3/2 nucleus 41K to the Tz=+1/2 nucleus 41Ca.

Bath salts, mephedrone, and methylenedioxypyrovalerone as emerging illicit drugs that will need targeted therapeutic intervention

PubMed Central

Glennon, Richard A.

2015-01-01

The term “synthetic cathinones” is fairly new; but, although the abuse of synthetic cathinones is a recent problem, research on cathinone analogs dates back >100 years. One structural element cathinone analogs have in common is an α-aminophenone moiety. Introduction of amine and/or aryl substituents affords a large number of agents. Today, >40 synthetic cathinones have been identified on the clandestine market and many have multiple “street names”. Many cathinone analogs, although not referred to as such until the late 1970s, were initially prepared as intermediates in the synthesis of ephedrine analogs. The cathinones do not represent a pharmacologically or mechanistically homogeneous class of agents. Currently abused synthetic cathinones are derived from earlier agents and seem to produce their actions primarily via the dopamine, norepinephrine, and/or serotonin transporter; that is, they either release and/or inhibit the reuptake of one or more of these neurotransmitters. The actions of these agents can resemble those of central stimulants such as methamphetamine, cocaine, and/or empathogens such as 1-(3,4-methylenedioxyphenyl)-2-aminopropane (MDMA; Ecstasy) and/or produce other effects. Side effects are primarily of a neurological and/or cardiovascular nature. The use of the “and/or” term is emphasized because synthetic cathinones represent a broad class of agents that produce a variety of actions; the agents cannot be viewed as being pharmacologically equivalent. Until valid structure-activity relationships are formulated for each behavioral/mechanistic action, individual synthetic cathinones remain to be evaluated on a case-by-case basis. Treatment of synthetic cathinone intoxication requires more “basic science” research. At this time, treatment is mostly palliative. PMID:24484988

Deep HST/STIS Visible-Light Imaging of Debris Systems Around Solar Analog Hosts

NASA Technical Reports Server (NTRS)

Schneider, Glenn; Grady, Carol A.; Stark, Christopher C.; Gaspar, Andras; Carson, Joseph; Debes, John H.; Henning, Thomas; Hines, Dean C.; Jang-Condell, Hannah; Kuchner, Marc J.

2016-01-01

We present new Hubble Space Telescope observations of three a priori known starlight-scattering circumstellar debris systems (CDSs) viewed at intermediate inclinations around nearby close-solar analog stars: HD 207129, HD202628, and HD 202917. Each of these CDSs possesses ring-like components that are more massive analogs of our solar systems Edgeworth Kuiper Belt. These systems were chosen for follow-up observations to provide imaging with higher fidelity and better sensitivity for the sparse sample of solar-analog CDSs that range over two decades in systemic ages, with HD 202628 and HD 207129 (both approx. 2.3 Gyr) currently the oldest CDSs imaged in visible or near-IR light. These deep (10-14 ks) observations, made with six-roll point-spread-function template visible-light coronagraphy using the Space Telescope Imaging Spectrograph, were designed to better reveal their angularly large debris rings of diffuse low surface brightness, and for all targets probe their exo-ring environments for starlight-scattering materials that present observational challenges for current ground-based facilities and instruments. Contemporaneously also observing with a narrower occulter position, these observations additionally probe the CDS endo-ring environments that are seen to be relatively devoid of scatterers. We discuss the morphological, geometrical, and photometric properties of these CDSs also in the context of other CDSs hosted by FGK stars that we have previously imaged as a homogeneously observed ensemble. From this combined sample we report a general decay in quiescent-disk F disk /F star optical brightness approx. t( exp.-0.8), similar to what is seen at thermal IR wavelengths, and CDSs with a significant diversity in scattering phase asymmetries, and spatial distributions of their starlight-scattering grains.

Genetics and education: the ethics of shaping human identity.

PubMed

Ravitsky, Vardit

2002-10-01

This paper suggests an analogy between education and genetic interventions as means of shaping the identity of children and future adults. It proposes to look at issues discussed in the philosophy of education as a possible source of insight for ethical guidelines regarding future genetic interventions. The paper focuses on situations of conflict between parents and state regarding the authority to determine the child s best interests. It describes the current formulation of the conflict in the literature as lacking the crucial element of the child s right to a cultural identity. It argues that this element is a necessary component in an ethical analysis of the child s best interests in a multicultural, liberal society which respects diversity. The paper therefore proposes a better model for the moral evaluation of identity-shaping decisions and offers some implications of this model for genetics.

A Biologically Active Analog of the Sex Pheromone of the Emerald Ash Borer, Agrilus planipennis.

PubMed

Silk, P J; Ryall, K; Mayo, P; MaGee, D I; Leclair, G; Fidgen, J; Lavallee, R; Price, J; McConaghy, J

2015-03-01

The emerald ash borer, Agrilus planipennis (Coleoptera: Buprestidae) (EAB), is an invasive species causing unprecedented levels of mortality to ash trees in its introduced range. The female-produced sex pheromone of EAB has been shown to contain the macrocyclic lactone (3Z)-dodecen-12-olide. This compound and its geometrical isomer, (3E)-dodecen-12-olide, have been demonstrated previously to be EAG active and, in combination with a host-derived green leaf volatile, (3Z)-hexenol, to be attractive to male EAB in green prism traps deployed in the ash tree canopy. In the current study, we show that the saturated analog, dodecan-12-olide, is similarly active, eliciting an antennal response and significant attraction of EAB in both olfactometer and trapping bioassays in green traps with (3Z)-hexenol. Conformational modeling of the three lactones reveals that their energies and shapes are very similar, suggesting they might share a common receptor in EAB antennae. These findings provide new insight into the pheromone ecology of this species, highlighting the apparent plasticity in response of adults to the pheromone and its analog. Both of the unsaturated isomers are costly to synthesize, involving multistep, low-yielding processes. The saturated analog can be made cheaply, in high yield, and on large scale via Mitsunobu esterification of a saturated ω-hydroxy acid or more simply by Baeyer-Villiger oxidation of commercially available cyclododecanone. The analog can thus provide an inexpensive option as a lure for detection surveys as well as for possible mitigation purposes, such as mating disruption.

Low-Cost, High-Performance Analog Optical Links

DTIC Science & Technology

2006-12-01

connected by tunnel junctions, which permit the forward conduction of current when they are reverse biased . Hence a key step in the development of the... bias voltage, where the measured IV is shown by the dotted curve. The common tunnel junction IV model assumed a triangular-shaped band structure. A... tunneling characteristics with negative differential resistance and a resistance under reverse bias around 12 Ω. This was higher than the previously grown

Adding a dimension to the infrared spectra of interfaces using heterodyne detected 2D sum-frequency generation (HD 2D SFG) spectroscopy

PubMed Central

Xiong, Wei; Laaser, Jennifer E.; Mehlenbacher, Randy D.; Zanni, Martin T.

2011-01-01

In the last ten years, two-dimensional infrared spectroscopy has become an important technique for studying molecular structures and dynamics. We report the implementation of heterodyne detected two-dimensional sum-frequency generation (HD 2D SFG) spectroscopy, which is the analog of 2D infrared (2D IR) spectroscopy, but is selective to noncentrosymmetric systems such as interfaces. We implement the technique using mid-IR pulse shaping, which enables rapid scanning, phase cycling, and automatic phasing. Absorptive spectra are obtained, that have the highest frequency resolution possible, from which we extract the rephasing and nonrephasing signals that are sometimes preferred. Using this technique, we measure the vibrational mode of CO adsorbed on a polycrystalline Pt surface. The 2D spectrum reveals a significant inhomogenous contribution to the spectral line shape, which is quantified by simulations. This observation indicates that the surface conformation and environment of CO molecules is more complicated than the simple “atop” configuration assumed in previous work. Our method can be straightforwardly incorporated into many existing SFG spectrometers. The technique enables one to quantify inhomogeneity, vibrational couplings, spectral diffusion, chemical exchange, and many other properties analogous to 2D IR spectroscopy, but specifically for interfaces. PMID:22143772

Adding a dimension to the infrared spectra of interfaces using heterodyne detected 2D sum-frequency generation (HD 2D SFG) spectroscopy.

PubMed

Xiong, Wei; Laaser, Jennifer E; Mehlenbacher, Randy D; Zanni, Martin T

2011-12-27

In the last ten years, two-dimensional infrared spectroscopy has become an important technique for studying molecular structures and dynamics. We report the implementation of heterodyne detected two-dimensional sum-frequency generation (HD 2D SFG) spectroscopy, which is the analog of 2D infrared (2D IR) spectroscopy, but is selective to noncentrosymmetric systems such as interfaces. We implement the technique using mid-IR pulse shaping, which enables rapid scanning, phase cycling, and automatic phasing. Absorptive spectra are obtained, that have the highest frequency resolution possible, from which we extract the rephasing and nonrephasing signals that are sometimes preferred. Using this technique, we measure the vibrational mode of CO adsorbed on a polycrystalline Pt surface. The 2D spectrum reveals a significant inhomogenous contribution to the spectral line shape, which is quantified by simulations. This observation indicates that the surface conformation and environment of CO molecules is more complicated than the simple "atop" configuration assumed in previous work. Our method can be straightforwardly incorporated into many existing SFG spectrometers. The technique enables one to quantify inhomogeneity, vibrational couplings, spectral diffusion, chemical exchange, and many other properties analogous to 2D IR spectroscopy, but specifically for interfaces.

Eigenmodes of Ducted Flows With Radially-Dependent Axial and Swirl Velocity Components

NASA Technical Reports Server (NTRS)

Kousen, Kenneth A.

1999-01-01

This report characterizes the sets of small disturbances possible in cylindrical and annular ducts with mean flow whose axial and tangential components vary arbitrarily with radius. The linearized equations of motion are presented and discussed, and then exponential forms for the axial, circumferential, and time dependencies of any unsteady disturbances are assumed. The resultant equations form a generalized eigenvalue problem, the solution of which yields the axial wavenumbers and radial mode shapes of the unsteady disturbances. Two numerical discretizations are applied to the system of equations: (1) a spectral collocation technique based on Chebyshev polynomial expansions on the Gauss-Lobatto points, and (2) second and fourth order finite differences on uniform grids. The discretized equations are solved using a standard eigensystem package employing the QR algorithm. The eigenvalues fall into two primary categories: a discrete set (analogous to the acoustic modes found in uniform mean flows) and a continuous band (analogous to convected disturbances in uniform mean flows) where the phase velocities of the disturbances correspond to the local mean flow velocities. Sample mode shapes and eigensystem distributions are presented for both sheared axial and swirling flows. The physics of swirling flows is examined with reference to hydrodynamic stability and completeness of the eigensystem expansions. The effect of assuming exponential dependence in the axial direction is discussed.

Timing and Pulse Shape Discrimination Comparison Against Legacy TDC & QDC and the JLab F250 FADC

NASA Astrophysics Data System (ADS)

Milkeris-Zellar, Tyler; Sawatzky, Brad

2017-09-01

The F250 Flash Analog to Digital Convertor (FADC) is a relatively new module used in Data Acquisition Systems (DAQ) at Jefferson Lab. The FADC will replace or supplement older DAQ modules like Time to Digital Converters (TDCs) and Charge Analog to Digital Converters (QDCs). The TDC has a certain known timing resolution and the QDC can integrate a pulse's charge, a feature which can also be used for particle identification between photons and neutrons using pulse shape discrimination (PSD). The focus of this project is developing a test stand to study timing and PSD performance of legacy modules TDC and QDC, and the new F250 FADC. A cosmic telescope was used to extract timing resolution from the TDC and FADC. Through PSD with the QDC and FADC, using a liquid scintillator, we plan to identify photons and neutrons from an americium-beryllium (AmBe) source. Through PSD, we found that the FADC allows for flexible data analysis compared to the QDC. The results indicate that the TDC provides a more accurate measurement of timing resolution than the FADC. This improvement allows for a clear distinction of what module to use when wanting precision of measurement in a DAQ for a cosmic ray telescope. NSF.

Fluidic Manufacture of Star-Shaped Gold Nanoparticles.

PubMed

Silvestri, Alessandro; Lay, Luigi; Psaro, Rinaldo; Polito, Laura; Evangelisti, Claudio

2017-07-21

Star-shaped gold nanoparticles (StarAuNPs) are extremely attractive nanomaterials, characterized by localized surface plasmon resonance which could be potentially employed in a large number of applications. However, the lack of a reliable and reproducible synthetic protocols for the production of StarAuNPs is the major limitation to their spreading. For the first time, here we present a robust protocol to manufacture reproducible StarAuNPs by exploiting a fluidic approach. Star-shaped AuNPs have been synthesized by means of a seed-less protocol, employing ascorbic acid as reducing agent at room temperature. Moreover, the versatility of the bench-top microfluidic protocol has been exploited to afford hydrophilic, hydrophobic and solid-supported engineered StarAuNPs, by avoiding intermediate NP purifications. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

S-shaped flow curves of shear thickening suspensions: direct observation of frictional rheology.

PubMed

Pan, Zhongcheng; de Cagny, Henri; Weber, Bart; Bonn, Daniel

2015-09-01

We study the rheological behavior of concentrated granular suspensions of simple spherical particles. Under controlled stress, the system exhibits an S-shaped flow curve (stress vs shear rate) with a negative slope in between the low-viscosity Newtonian regime and the shear thickened regime. Under controlled shear rate, a discontinuous transition between the two states is observed. Stress visualization experiments with a fluorescent probe suggest that friction is at the origin of shear thickening. Stress visualization shows that the stress in the system remains homogeneous (no shear banding) if a stress is imposed that is intermediate between the high- and low-stress branches. The S-shaped shear thickening is then due to the discontinuous formation of a frictional force network between particles upon increasing the stress.

Collective ordering of microscale matters in natural analogy

PubMed Central

Ahn, Sungsook; Joon Lee, Sang

2015-01-01

Collective interaction occurs in many natural and artificial matters in broad scales. In a biological system, collective spatial organization of live individuals in a colony is important for their viability determination. Interactive motions between a single individual and an agglomerate are critical for whole procedure of the collective behaviors, but few has been clarified for these intermediate range behaviors. Here, collective interactions of microscale matters are investigated with human cells, plant seeds and artificial microspheres in terms of commonly occurring spatial arrangements. Human cancer cells are inherently attractive to form an agglomerate by cohesive motion, while plant chia seeds are repulsive by excreting mucilage. Microsphere model is employed to investigate the dynamic assembly equilibrated by an attraction and repulsion. There is a fundamental analogy in terms of an onset of regular pattern formation even without physical contact of individuals. The collective interactions are suggested to start before the individual components become physically agglomerated. This study contributes to fundamental understanding on the microscale particulate matters and natural pattern formation which are further useful for various applications both in academic and industrial areas. PMID:26027819

Chip Design Process Optimization Based on Design Quality Assessment

NASA Astrophysics Data System (ADS)

Häusler, Stefan; Blaschke, Jana; Sebeke, Christian; Rosenstiel, Wolfgang; Hahn, Axel

2010-06-01

Nowadays, the managing of product development projects is increasingly challenging. Especially the IC design of ASICs with both analog and digital components (mixed-signal design) is becoming more and more complex, while the time-to-market window narrows at the same time. Still, high quality standards must be fulfilled. Projects and their status are becoming less transparent due to this complexity. This makes the planning and execution of projects rather difficult. Therefore, there is a need for efficient project control. A main challenge is the objective evaluation of the current development status. Are all requirements successfully verified? Are all intermediate goals achieved? Companies often develop special solutions that are not reusable in other projects. This makes the quality measurement process itself less efficient and produces too much overhead. The method proposed in this paper is a contribution to solve these issues. It is applied at a German design house for analog mixed-signal IC design. This paper presents the results of a case study and introduces an optimized project scheduling on the basis of quality assessment results.

Collective interaction of microscale matters in natural analogy: human cancer cells vs. microspheres

NASA Astrophysics Data System (ADS)

Ahn, Sungsook; Lee, Sang Joon; Postech Team

2014-11-01

Collective behaviors have been considered both in living and lifeless things as a natural phenomenon. During the ordering process, a sudden and spontaneous transition is typically generated between an order and a disorder according to the population density of interacting elements. In a cellular level collective behavior, the cells are distributed in the characteristic patterns according to the population density and the mutual interaction of the individual cells undergo density-dependent diffusive motion. On the other hand, density-controlled surface-modified hollow microsphere suspension induces an overpopulation via buoyancy which provides a driving force to induce an assembly. The collective behaviors of the cells and microspheres in a designed liquid medium are explained in terms of the deviation from the interparticle distance distribution and the induced strength to organize the particle position in a specific distance range. as a result, microscale particulate matters exhibit high resemblance in their pair correlation and dynamical heterogeneity in the intermediate range between a single individual and an agglomerate. Therefore, it is suggested that biological systems are analogically explained to be dominated by physically interactive aspects.

High Velocity Jet Noise Source Location and Reduction. Task 6. Supplement. Computer Programs: Engineering Correlation (M*S) Jet Noise Prediction Method and Unified Aeroacoustic Prediction Model (M*G*B) for Nozzles of Arbitary Shape.

DTIC Science & Technology

1979-03-01

LSPFIT 112 4.3.5 SLICE 112 4.3.6 CRD 113 4.3.7 OUTPUT 113 4.3.8 SHOCK 115 4.3.9 ATMOS 115 4.3.10 PNLC 115 4.4 Program Usage and Logic 116 4.5 Description...number MAIN, SLICE, OUTPUT F Intermediate variable LSPFIT FAC Intermediate variable PNLC FC Center frequency SLICE FIRSTU Flight velocity Ua MAIN, SLICE...Index CRD J211 Index CRD K Index, also wave number MAIN, SLICE, PNLC KN Surrounding boundary index MAIN KNCAS Case counter MAIN KNK Surrounding

Development of reservoir facies and porosity-permeability compartmentalization in middle Mississippian Salem Limestone, eastern margin of the Illinois Basin

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ahmad, N.; Keith, B.D.; Thompson, T.A.

Shoal facies of the Salem Limestone in south-central Indiana are composed of (1) bryozoan- and echinoderm-rich (85-95%) grainstones, and (3) foraminiferal-echinodermal grainstones. Microfacies and bedform analyses indicate that deposition took place under tidal conditions where sporadic storm events mobilized the entire sand body. Strong, primarily unidirectional currents, abundant sediment supply, and rapid burial resulted in thick, massive deposits in the Salem shoal. In this hydraulic regime, shape and specific gravity determined the distribution of echinoderm grains relative to heavier bryozoan grains. The relative amount of echinoderms controlled the development of early syntaxial rim cement, which preserved porosity during early compaction.more » A significant amount of calcium carbonate ({approximately}58%) filled the micropores within the echinoderm grains before the intergranular cement could form. Areas such as toes of avalanche forests, where intermediate amounts of echinoderms are mixed with other grains, have greater porosity and permeability. Numerous stylolites also occur throughout the Salem grainstones. Variations in microfacies composition and bedforms are grouped into architectural packages that compartmentalize the porosity and permeability and form micro-to scale macroscale heterogeneities. The basal channel architectural package studied exhibits porosity-permeability compartments orthogonal to the overlying channel-fill sandwave package. In an analogous petroleum reservoir this can result in poor reservoir performance during primary and enhanced recovery leaving behind significant amounts of unrecovered mobile oil. Higher porosity and permeability at the base of a package due to the presence of toesets of a certain grain composition can result in poor sweep efficiency for enhanced recovery.« less

Sedimentary processes of the Bagnold Dunes: Implications for the eolian rock record of Mars

NASA Astrophysics Data System (ADS)

Ewing, R. C.; Lapotre, M. G. A.; Lewis, K. W.; Day, M.; Stein, N.; Rubin, D. M.; Sullivan, R.; Banham, S.; Lamb, M. P.; Bridges, N. T.; Gupta, S.; Fischer, W. W.

2017-12-01

The Mars Science Laboratory rover Curiosity visited two active wind-blown sand dunes within Gale crater, Mars, which provided the first ground-based opportunity to compare Martian and terrestrial eolian dune sedimentary processes and study a modern analog for the Martian eolian rock record. Orbital and rover images of these dunes reveal terrestrial-like and uniquely Martian processes. The presence of grainfall, grainflow, and impact ripples resembled terrestrial dunes. Impact ripples were present on all dune slopes and had a size and shape similar to their terrestrial counterpart. Grainfall and grainflow occurred on dune and large-ripple lee slopes. Lee slopes were 29° where grainflows were present and 33° where grainfall was present. These slopes are interpreted as the dynamic and static angles of repose, respectively. Grain size measured on an undisturbed impact ripple ranges between 50 μm and 350 μm with an intermediate axis mean size of 113 μm (median: 103 μm). Dissimilar to dune eolian processes on Earth, large, meter-scale ripples were present on all dune slopes. Large ripples had nearly symmetric to strongly asymmetric topographic profiles and heights ranging between 12 cm and 28 cm. The composite observations of the modern sedimentary processes highlight that the Martian eolian rock record is likely different from its terrestrial counterpart because of the large ripples, which are expected to engender a unique scale of cross stratification. More broadly, however, in the Bagnold Dune Field as on Earth, dune-field pattern dynamics and basin-scale boundary conditions will dictate the style and distribution of sedimentary processes.

A constitutive law for dense granular flows.

PubMed

Jop, Pierre; Forterre, Yoël; Pouliquen, Olivier

2006-06-08

A continuum description of granular flows would be of considerable help in predicting natural geophysical hazards or in designing industrial processes. However, the constitutive equations for dry granular flows, which govern how the material moves under shear, are still a matter of debate. One difficulty is that grains can behave like a solid (in a sand pile), a liquid (when poured from a silo) or a gas (when strongly agitated). For the two extreme regimes, constitutive equations have been proposed based on kinetic theory for collisional rapid flows, and soil mechanics for slow plastic flows. However, the intermediate dense regime, where the granular material flows like a liquid, still lacks a unified view and has motivated many studies over the past decade. The main characteristics of granular liquids are: a yield criterion (a critical shear stress below which flow is not possible) and a complex dependence on shear rate when flowing. In this sense, granular matter shares similarities with classical visco-plastic fluids such as Bingham fluids. Here we propose a new constitutive relation for dense granular flows, inspired by this analogy and recent numerical and experimental work. We then test our three-dimensional (3D) model through experiments on granular flows on a pile between rough sidewalls, in which a complex 3D flow pattern develops. We show that, without any fitting parameter, the model gives quantitative predictions for the flow shape and velocity profiles. Our results support the idea that a simple visco-plastic approach can quantitatively capture granular flow properties, and could serve as a basic tool for modelling more complex flows in geophysical or industrial applications.

Performance variation due to stiffness in a tuna-inspired flexible foil model.

PubMed

Rosic, Mariel-Luisa N; Thornycroft, Patrick J M; Feilich, Kara L; Lucas, Kelsey N; Lauder, George V

2017-01-17

Tuna are fast, economical swimmers in part due to their stiff, high aspect ratio caudal fins and streamlined bodies. Previous studies using passive caudal fin models have suggested that while high aspect ratio tail shapes such as a tuna's generally perform well, tail performance cannot be determined from shape alone. In this study, we analyzed the swimming performance of tuna-tail-shaped hydrofoils of a wide range of stiffnesses, heave amplitudes, and frequencies to determine how stiffness and kinematics affect multiple swimming performance parameters for a single foil shape. We then compared the foil models' kinematics with published data from a live swimming tuna to determine how well the hydrofoil models could mimic fish kinematics. Foil kinematics over a wide range of motion programs generally showed a minimum lateral displacement at the narrowest part of the foil, and, immediately anterior to that, a local area of large lateral body displacement. These two kinematic patterns may enhance thrust in foils of intermediate stiffness. Stiffness and kinematics exhibited subtle interacting effects on hydrodynamic efficiency, with no one stiffness maximizing both thrust and efficiency. Foils of intermediate stiffnesses typically had the greatest coefficients of thrust at the highest heave amplitudes and frequencies. The comparison of foil kinematics with tuna kinematics showed that tuna motion is better approximated by a zero angle of attack foil motion program than by programs that do not incorporate pitch. These results indicate that open questions in biomechanics may be well served by foil models, given appropriate choice of model characteristics and control programs. Accurate replication of biological movements will require refinement of motion control programs and physical models, including the creation of models of variable stiffness.

An investigation into the design and performance of an automatic shape control system for a Sendzimir cold rolling mill

NASA Astrophysics Data System (ADS)

Dutton, Kenneth

Shape (or flatness) control for rolled steel strip is becoming increasingly important as customer requirements become more stringent. Automatic shape control is now more or less mandatory on all new four-high cold mills, but no comprehensive scheme yet exists on a Sendzimir mill. This is due to the complexity of the control system design on such a mill, where many more degrees of freedom for control exist than is the case with the four-high mills.The objective of the current work is to develop, from first principles, such a system; including automatic control of the As-U-Roll and first intermediate roll actuators in response to the measured strip shape. This thesis concerns itself primarily with the As-U-Roll control system. The material presented is extremely wide-ranging. Areas covered include the development of original static and dynamic mathematical models of the mill systems, and testing of the plant by data-logging to tune these models. A basic control system philosophy proposed by other workers is modified and developed to suit the practical system requirements and the data provided by the models. The control strategy is tested by comprehensive multivariable simulation studies. Finally, details are given of the practical problems faced when installing the system on the plant. These include problems of manual control inter-action bumpless transfer and integral desaturation.At the time of presentation of the thesis, system commissioning is still in progress and production results are therefore not yet available. Nevertheless, the simulation studies predict a successful outcome, although performance is expected to be limited until the first intermediate roll actuators are eventually included in the scheme also.

Intermediate regime and a phase diagram of red blood cell dynamics in a linear flow.

PubMed

Levant, Michael; Steinberg, Victor

2016-12-01

In this paper we investigate the in vitro dynamics of a single rabbit red blood cell (RBC) in a planar linear flow as a function of a shear stress σ and the dynamic viscosity of outer fluid η_{o}. A linear flow is a generalization of previous studies dynamics of soft objects including RBC in shear flow and is realized in the experiment in a microfluidic four-roll mill device. We verify that the RBC stable orientation dynamics is found in the experiment being the in-shear-plane orientation and the RBC dynamics is characterized by observed three RBC dynamical states, namely tumbling (TU), intermediate (INT), and swinging (SW) [or tank-treading (TT)] on a single RBC. The main results of these studies are the following. (i) We completely characterize the RBC dynamical states and reconstruct their phase diagram in the case of the RBC in-shear-plane orientation in a planar linear flow and find it in a good agreement with that obtained in early experiments in a shear flow for human RBCs. (ii) The value of the critical shear stress σ_{c} of the TU-TT(SW) transition surprisingly coincides with that found in early experiments in spite of a significant difference in the degree of RBC shape deformations in both the SW and INT states. (iii) We describe the INT regime, which is stationary, characterized by strong RBC shape deformations and observed in a wide range of the shear stresses. We argue that our observations cast doubts on the main claim of the recent numerical simulations that the only RBC spheroidal stress-free shape is capable to explain the early experimental data. Finally, we suggest that the amplitude dependence of both θ and the shape deformation parameter D on σ can be used as the quantitative criterion to determine the RBC stress-free shape.

Personality Matters: Relevance and Assessment of Personality Characteristics. OECD Education Working Papers, No. 157

ERIC Educational Resources Information Center

Kankaraš, Miloš

2017-01-01

Personality characteristics shape human behaviour and influence a wide range of life events and outcomes. They do so not only through their direct effects on life outcomes, but also through their indirect effects on other important personal factors and intermediate life events, such as the development of cognitive capacities, the attainment of…

Performance testing of lidar receivers

NASA Technical Reports Server (NTRS)

Shams, M. Y.

1986-01-01

In addition to the considerations about the different types of noise sources, dynamic range, and linearity of a lidar receiver, one requires information about the pulse shape retaining capabilities of the receiver. For this purpose, relatively precise information about the height resolution as well as the recovery time of the receiver, due both to large transients and to fast changes in the received signal, is required. As more and more analog receivers using fast analog to digital converters and transient recorders will be used in the future lidar systems, methods to test these devices are essential. The method proposed for this purpose is shown. Tests were carried out using LCW-10, LT-20, and FTVR-2 as optical parts of the optical pulse generator circuits. A commercial optical receiver, LNOR, and a transient recorder, VK 220-4, were parts of the receiver system.

Turbulence modeling and combustion simulation in porous media under high Peclet number

NASA Astrophysics Data System (ADS)

Moiseev, Andrey A.; Savin, Andrey V.

2018-05-01

Turbulence modelling in porous flows and burning still remains not completely clear until now. Undoubtedly, conventional turbulence models must work well under high Peclet numbers when porous channels shape is implemented in details. Nevertheless, the true turbulent mixing takes place at micro-scales only, and the dispersion mixing works at macro-scales almost independent from true turbulence. The dispersion mechanism is characterized by the definite space scale (scale of the porous structure) and definite velocity scale (filtration velocity). The porous structure is stochastic one usually, and this circumstance allows applying the analogy between space-time-stochastic true turbulence and the dispersion flow which is stochastic in space only, when porous flow is simulated at the macro-scale level. Additionally, the mentioned analogy allows applying well-known turbulent combustion models in simulations of porous combustion under high Peclet numbers.

Mechanistic Significance of the Si–O–Pd Bond in the Palladium-Catalyzed Cross-Coupling Reactions of Arylsilanolates

PubMed Central

2016-01-01

Through the combination of reaction kinetics (both stoichiometric and catalytic), solution- and solid-state characterization of arylpalladium(II) arylsilanolates, and computational analysis, the intermediacy of covalent adducts containing Si–O–Pd linkages in the cross-coupling reactions of arylsilanolates has been unambiguously established. Two mechanistically distinct pathways have been demonstrated: (1) transmetalation via a neutral 8-Si-4 intermediate that dominates in the absence of free silanolate (i.e., stoichiometric reactions of arylpalladium(II) arylsilanolate complexes), and (2) transmetalation via an anionic 10-Si-5 intermediate that dominates in the cross-coupling under catalytic conditions (i.e., in the presence of free silanolate). Arylpalladium(II) arylsilanolate complexes bearing various phosphine ligands have been isolated, fully characterized, and evaluated for their kinetic competence under thermal (stoichiometric) and anionic (catalytic) conditions. Comparison of the rates for thermal and anionic activation suggested, but did not prove, that intermediates containing the Si–O–Pd linkage were involved in the cross-coupling process. The isolation of a coordinatively unsaturated, T-shaped arylpalladium(II) arylsilanolate complex ligated with t-Bu3P allowed the unambiguous demonstration of the operation of both pathways involving 8-Si-4 and 10-Si-5 intermediates. Three kinetic regimes were identified: (1) with 0.5–1.0 equiv of added silanolate (with respect to arylpalladium bromide), thermal transmetalation via a neutral 8-Si-4 intermediate; (2) with 1.0–5.0 equiv of added silanolate, activated transmetalation via an anionic 10-Si-5 intermediate; and (3) with >5.0 equiv of added silanolate, concentration-independent (saturation) activated transmetalation via an anionic 10-Si-5 intermediate. Transition states for the intramolecular transmetalation of neutral (8-Si-4) and anionic (10-Si-5) intermediates have been located computationally, and the anionic pathway is favored by 1.8 kcal/mol. The energies of all intermediates and transition states are highly dependent on the configuration around the palladium atom. PMID:25945516

In-Situ and Real-time Monitoring of Mechanochemical Preparation of Li2 Mg(NH2 BH3 )4 and Na2 Mg(NH2 BH3 )4 and Their Thermal Dehydrogenation.

PubMed

Biliškov, Nikola; Borgschulte, Andreas; Užarević, Krunoslav; Halasz, Ivan; Lukin, Stipe; Milošević, Sanja; Milanović, Igor; Novaković, Jasmina Grbović

2017-11-16

For the first time, in situ monitoring of uninterrupted mechanochemical synthesis of two bimetallic amidoboranes, M 2 Mg(NH 2 BH 3 ) 4 (M=Li, Na), by means of Raman spectroscopy, has been applied. This approach allowed real-time observation of key intermediate phases, and a straightforward follow-up of the reaction course. Detailed analysis of time-dependent spectra revealed a two-step mechanism through MNH 2 BH 3 ⋅NH 3 BH 3 adducts as key intermediate phases which further reacted with MgH 2 , giving M 2 Mg(NH 2 BH 3 ) 4 as final products. The intermediates partially take a competitive pathway toward the oligomeric M(BH 3 NH 2 BH 2 NH 2 BH 3 ) phases. The crystal structure of the novel bimetallic amidoborane Li 2 Mg(NH 2 BH 3 ) 4 was solved from high-resolution powder diffraction data and showed an analogous metal coordination to Na 2 Mg(NH 2 BH 3 ) 4 , but a significantly different crystal packing. Li 2 Mg(NH 2 BH 3 ) 4 thermally dehydrogenates releasing highly pure H 2 in the amount of 7 wt.%, and at a lower temperature then its sodium analogue, making it significantly more viable for practical applications. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Evidence for a New Intermediate Phase in a Strongly Correlated 2D System near Wigner Crystallization

NASA Astrophysics Data System (ADS)

Gao, Xuan; Qiu, Richard; Goble, Nicholas; Serafin, Alex; Yin, Liang; Xia, Jian-Sheng; Sullivan, Neil; Pfeiffer, Loren; West, Ken

How the two dimensional (2D) quantum Wigner crystal (WC) transforms into the metallic liquid phase remains an outstanding problem in physics. In theories considering the 2D WC to liquid transition in the clean limit, it was suggested that a number of intermediate phases might exist. We have studied the transformation between the metallic fluid phase and the low magnetic field reentrant insulating phase (RIP) which was interpreted as due to the WC [Qiu et al., PRL 108, 106404 (2012)], in a strongly correlated 2D hole system in GaAs quantum well with large interaction parameter rs (~20-30) and high mobility. Instead of a sharp transition, we found that increasing density (or lowering rs) drives the RIP into a state where the incipient RIP coexists with Fermi liquid. This apparent mixture phase intermediate between Fermi liquid and WC also exhibits a non-trivial temperature dependent resistivity behavior which can be qualitatively understood by the reversed melting of WC in the mixture, in analogy to the Pomeranchuk effect in the solid-liquid mixture of Helium-3. X.G. thanks NSF (DMR-0906415) for supporting work at CWRU. Experiments at the NHMFL High B/T Facility were supported by NSF Grant 0654118 and the State of Florida. L.P. thanks the Gordon and Betty Moore Foundation and NSF MRSEC (DMR-0819860) for support.

On the organocatalytic activity of N-heterocyclic carbenes: role of sulfur in thiamine.

PubMed

Hollóczki, Oldamur; Kelemen, Zsolt; Nyulászi, László

2012-07-20

The reaction energy profiles of the benzoin condensation from three aldehydes catalyzed by imidazol-2-ylidene, triazol-3-ylidene, and thiazol-2-ylidene have been investigated computationally. The barriers for all steps of all investigated reactions have been found to be low enough to indicate the viability of the mechanism proposed by Breslow in the 1950s. The most remarkable difference in the catalytic cycles has been the increased stability of the Breslow intermediate in case of thiazol-2-ylidene (by ca. 10 kcal/mol) compared to the other two carbenes, which results in lower energy for the coupling of the second aldehyde molecule, thus, increasing the reversibility of the reaction. Since the analogous transketolase reaction, being involved in the carbohydrate metabolism of many organisms, requires an initial decoupling-a reverse benzoin condensation-this difference provides a reasonable explanation for the presence of a thiazolium ring in thiamine instead of the otherwise generally more available imidazole derivatives. The "resting intermediate" found by Berkessel and co-workers for a triazole-based catalyst was found more stable than the Breslow intermediate for all of the systems investigated. The (gas phase) proton affinities of several carbenes were compared, the relative trends being in agreement with the available (in aqueous solution) data. The hydrolytic ring-opening reaction of the thiazole-based carbene was shown to be different from that of imidazole-2-ylidenes.

Spectroscopic characterization of the iron-oxo intermediate in cytochrome P450.

PubMed

Jung, Christiane; Schünemann, Volker; Lendzian, Friedhelm; Trautwein, Alfred X; Contzen, Jörg; Galander, Marcus; Böttger, Lars H; Richter, Matthias; Barra, Anne-Laure

2005-10-01

From analogy to chloroperoxidase from Caldariomyces fumago, it is believed that the electronic structure of the intermediate iron-oxo species in the catalytic cycle of cytochrome P450 corresponds to an iron(IV) porphyrin-pi-cation radical (compound I). However, our recent studies on P450cam revealed that after 8 ms a tyrosine radical and iron(IV) were formed in the reaction of ferric P450 with external oxidants in the shunt pathway. The present study on the heme domain of P450BM3 (P450BMP) shows a similar result. In addition to a tyrosine radical, a contribution from a tryptophan radical was found in the electron paramagnetic resonance (EPR) spectra of P450BMP. Here we present comparative multi-frequency EPR (9.6, 94 and 285 GHz) and Mössbauer spectroscopic studies on freeze-quenched intermediates produced using peroxy acetic acid as oxidant for both P450 cytochromes. After 8 ms in both systems, amino acid radicals occurred instead of the proposed iron(IV) porphyrin-pi-cation radical, which may be transiently formed on a much faster time scale. These findings are discussed with respect to other heme thiolate proteins. Our studies demonstrate that intramolecular electron transfer from aromatic amino acids is a common feature in these enzymes. The electron transfer quenches the presumably transiently formed porphyrin-pi-cation radical, which makes it extremely difficult to trap compound I.

Social interaction shapes babbling: Testing parallels between birdsong and speech

NASA Astrophysics Data System (ADS)

Goldstein, Michael H.; King, Andrew P.; West, Meredith J.

2003-06-01

Birdsong is considered a model of human speech development at behavioral and neural levels. Few direct tests of the proposed analogs exist, however. Here we test a mechanism of phonological development in human infants that is based on social shaping, a selective learning process first documented in songbirds. By manipulating mothers' reactions to their 8-month-old infants' vocalizations, we demonstrate that phonological features of babbling are sensitive to nonimitative social stimulation. Contingent, but not noncontingent, maternal behavior facilitates more complex and mature vocal behavior. Changes in vocalizations persist after the manipulation. The data show that human infants use social feedback, facilitating immediate transitions in vocal behavior. Social interaction creates rapid shifts to developmentally more advanced sounds. These transitions mirror the normal development of speech, supporting the predictions of the avian social shaping model. These data provide strong support for a parallel in function between vocal precursors of songbirds and infants. Because imitation is usually considered the mechanism for vocal learning in both taxa, the findings introduce social shaping as a general process underlying the development of speech and song.

Feeling form: the neural basis of haptic shape perception.

PubMed

Yau, Jeffrey M; Kim, Sung Soo; Thakur, Pramodsingh H; Bensmaia, Sliman J

2016-02-01

The tactile perception of the shape of objects critically guides our ability to interact with them. In this review, we describe how shape information is processed as it ascends the somatosensory neuraxis of primates. At the somatosensory periphery, spatial form is represented in the spatial patterns of activation evoked across populations of mechanoreceptive afferents. In the cerebral cortex, neurons respond selectively to particular spatial features, like orientation and curvature. While feature selectivity of neurons in the earlier processing stages can be understood in terms of linear receptive field models, higher order somatosensory neurons exhibit nonlinear response properties that result in tuning for more complex geometrical features. In fact, tactile shape processing bears remarkable analogies to its visual counterpart and the two may rely on shared neural circuitry. Furthermore, one of the unique aspects of primate somatosensation is that it contains a deformable sensory sheet. Because the relative positions of cutaneous mechanoreceptors depend on the conformation of the hand, the haptic perception of three-dimensional objects requires the integration of cutaneous and proprioceptive signals, an integration that is observed throughout somatosensory cortex. Copyright © 2016 the American Physiological Society.

Experimental investigation of linear and nonlinear wave systems: A quantum chaos approach

NASA Astrophysics Data System (ADS)

Neicu, Toni

2002-09-01

An experimental and numerical study of linear and nonlinear wave systems using methods and ideas developed from quantum chaos is presented. We exploit the analogy of the wave equation for the flexural modes of a thin clover-shaped acoustic plate to the stationary solutions of the Schrodinger wave equation for a quantum clover-shaped billiard, a generic system that has regular and chaotic regions in its phase space. We observed periodic orbits in the spectral properties of the acoustic plate, the first such definitive acoustic experiment. We also solved numerically the linear wave equation of the acoustic plate for the first few hundred eigenmodes. The Fourier transform of the eigenvalues show peaks corresponding to the principal periodic orbits of the classical billiard. The signatures of the periodic orbits in the spectra were unambiguously verified by deforming one edge of the plate and observing that only the peaks corresponding to the orbits that hit this edge changed. The statistical measures of the eigenvalues are intermediate between universal forms for completely integrable and chaotic systems. The density distribution of the eigenfunctions agrees with the Porter-Thomas formula of chaotic systems. The viscosity dependence and effects of nonlinearity on the Faraday surface wave patterns in a stadium geometry were also investigated. The ray dynamics inside the stadium, a paradigm of quantum chaos, is completely chaotic. The majority of the observed patterns of the orbits resemble three eigenstates of the stadium: the bouncing ball, longitudinal, and bowtie patterns. We observed many disordered patterns that increase with the viscosity. The experimental results were analyzed using recent theoretical work that explains the suppression of certain modes. The theory also predicts that the perimeter dissipation is too strong for whispering gallery modes, which contradicts our observations of these modes for a fluid with low viscosity. Novel vortex patterns were observed in a strongly nonlinear, dissipative granular system of vertically vibrated rods. Above a critical packing fraction, moving domains of nearly vertical rods were seen to coexist with horizontal rods. The vertical domains coarsen to form several large vortices, which were driven by the anisotropy and inclination of the rods.

A new species of the genus Obolopteryx Cohn et al. 2014 and a conspecific
gynandromorph (Ensifera: Tettigoniidae: Phaneropterinae).

PubMed

Barrientos-Lozano, Ludivina; Rocha-Sánchez, Aurora Y; Correa-Sandoval, Alfonso

2015-10-12

Obolopteryx truncoangulata n. sp., Barrientos-Lozano & Rocha-Sánchez, and a field collected conspecific gynandromorph are described, both from the northern Mexico's Highland. O. truncoangulata n. sp., may be separated from congeneric O. brevihastata based on morphological characters. The male's pronotum is more constricted mesally, and the tegmina are shorter. The disto-dorsal abdominal tergites sub-triangular projection broadly bilobated. Cerci broader proximally, and thumb and shaft more robust and shorter; subgenital plate deep "U" shape emarginated distally, lateral angles excised about mid portion. In females, tegmina, ovipositor, subgenital plate and basal sclerites are of different shape than analogous structures in O. brevihastata. Information on geographic distribution and ecology is provided.

Fabrication of self-rolling geodesic objects and photonic crystal tubes

NASA Astrophysics Data System (ADS)

Danescu, A.; Regreny, Ph; Cremillieu, P.; Leclercq, J.-L.

2018-07-01

This paper presents a stress engineering method that allows the design and fabrication of the analogs of single-wall nanotubes in the class of photonic crystals. The macroscopic shape of the final object is obtained through the stress relaxation of a pre-stressed multilayer planar design. We illustrate the extent of the proposed method by various single-layer and multilayer photonic crystals tubes and micron-scale objects with 5-fold symmetry.

Experimental phase-space-based optical amplification of scar modes.

PubMed

Michel, C; Tascu, S; Doya, V; Aschiéri, P; Blanc, W; Legrand, O; Mortessagne, F

2012-04-01

Wave billiards which are chaotic in the geometrical limit are known to support nongeneric spatially localized modes called scar modes. The interaction of the scar modes with gain has been recently investigated in optics in microcavity lasers and vertical-cavity surface-emitting lasers. Exploiting the localization properties of scar modes in their wave-analogous phase-space representation, we report experimental results of scar mode selection by gain in a doped D-shaped optical fiber.

Fabrication of self-rolling geodesic objects and photonic crystal tubes.

PubMed

Danescu, A; Regreny, Ph; Cremillieu, P; Leclercq, J-L

2018-07-13

This paper presents a stress engineering method that allows the design and fabrication of the analogs of single-wall nanotubes in the class of photonic crystals. The macroscopic shape of the final object is obtained through the stress relaxation of a pre-stressed multilayer planar design. We illustrate the extent of the proposed method by various single-layer and multilayer photonic crystals tubes and micron-scale objects with 5-fold symmetry.

Size-Frequency Distributions of Rocks on Mars and Earth Analog Sites: Implications for Future Landed Missions

NASA Technical Reports Server (NTRS)

Golombeck, M.; Rapp, D.

1996-01-01

The size-frequency distribution of rocks and the Vicking landing sites and a variety of rocky locations on the Earth that formed from a number of geologic processes all have the general shape of simple exponential curves, which have been combined with remote sensing data and models on rock abundance to predict the frequency of boulders potentially hazardous to future Mars landers and rovers.

Gibbons-Hawking effect in the sonic de Sitter space-time of an expanding Bose-Einstein-condensed gas.

PubMed

Fedichev, Petr O; Fischer, Uwe R

2003-12-12

We propose an experimental scheme to observe the Gibbons-Hawking effect in the acoustic analog of a (1+1)-dimensional de Sitter universe, produced in an expanding, cigar-shaped Bose-Einstein condensate. It is shown that a two-level system created at the center of the trap, an atomic quantum dot interacting with phonons, observes a thermal Bose distribution at the de Sitter temperature.

Discrete dipole approximation models of chrystalline forsterite: Applications to cometary crystalline silicates

NASA Astrophysics Data System (ADS)

Lindsay, Sean Stephen

The shape, size, and composition of crystalline silicates observed in comet comae and external proto-planetary disks are indicative of the formation and evolution of the dust grains during the processes of planetary formation. In this dissertation, I present the 3 -- 40 mum absorption efficiencies( Qabs) of irregularly shaped forsterite crystals computed with the discrete dipole approximation (DDA) code DDSCAT developed by Draine and Flatau and run on the NASA Advanced Supercomputing facility Pleiades. An investigation of grain shapes ranging from spheroidal to irregular indicate that the strong spectral features from forsterite are sensitive to grain shape and are potentially degenerate with the effects of crystal solid state composition (Mg-content). The 10, 11, 18, 23, and 33.5 mum features are found to be the most crystal shape sensitive and should be avoided in determining Mg-content. The distinct spectral features for the three shape classes are connected with crystal formation environment using a condensation experiment by (Kobatake et al., 2008). The condensation experiment demonstrates that condensed forsterite crystal shapes are dependent on the condensation environmental temperature. I generate DDSCAT target analog shapes to the condensed crystal shapes. These analog shapes are represented by the three shape classes: 1) equant, 2) a, c-columns, and 3) b-shortened platelets. Each of these shape classes exhibit distinct spectral features that can be used to interpret grain shape characteristics from 8 --- 40 mum spectroscopy of astronomical objects containing crystalline silicates. Synthetic spectral energy distributions (SEDs) of the coma of Hale-Bopp at rh = 2.8 AU are generated by thermally modeling the flux contributions of 5 mineral species present in comets. The synthetic SEDs are constrained using a chi2- minimization technique. The mineral species are amorphous carbon, amorphous pyroxene, amorphous olivine, crystalline enstatite, and crystalline forsterite. Using the DDSCAT computed absorption efficiencies for a large variety of forsterite crystal shapes, which are computed for 66 grain sizes between 0.1 -- 5.0 mum, the flux contribution of irregularly shaped forsterite is computed. The forsterite flux contribution is then summed with the amorphous and crystalline enstatite contributions to generate the total synthetic SED. The DDSCAT forsterite grain shape synthetic SEDs reveal that the crystalline silicates in the coma of Hale-Bopp are irregular in shape with two distinct shape characteristics related to specific formation mechanisms: 1) equant grains with sharp ( ≲ 90°) angles between the faces, edges, and vertices that formed as high temperature condensates in the inner 1 -- 3 AU radial region of the Solar System's protoplanetary disk; and 2) c-shortened platelet shapes that likely formed from collisional processing of the crystals. The 8 -- 40 mum silicate spectral features of Hale-Bopp's coma are compared to the silicate spectral features of the comae of 17P/Holmes during 2007 outburst and 9P/Tempel 1 during the Deep Impact experiment to show that the silicate features with crystalline resonances are remarkably similar. The similarity in silicate spectral features suggests that the grain populations in the comae of these comets are similar in shape, size, and compositon. However, Hale-Bopp is a nearly isotropic comet (NIC) that dynamically came from the Oort cloud, and 17P and 9P are ecliptic comets (ECs) that dynamically came from the Scattered Disk. The different dynamical source regions yet similar silicate (amorphous and crystalline) grain populations suggest that ECs and NICs innately have similar grains and that the typically weaker silicate features of ECs are an effect of the surface grains becoming compacted with numerous perihelion passages. Hence, the differences in silicate between ECs and NICs are the result of grain structure and not grain composition. (Abstract shortened by UMI.)

(6)Li-loaded liquid scintillators with pulse shape discrimination.

PubMed

Greenwood, L R; Chellew, N R; Zarwell, G A

1979-04-01

Excellent pulse height and pulse shape discrimination performance has been obtained for liquid scintillators containing as much as 10 wt.% (6)Li-salicylate dissolved in a toluene-methanol solvent system using naphthalene and 9,10 diphenylanthracene as intermediate and secondary solutes. This solution has improved performance at higher (6)Li-loading than solutions in dioxane-water solvent systems, and remains stable at temperatures as low as -10 degrees C. Cells as large as 5 cm in diameter and 15.2 deep have been prepared which have a higher light output for slow neutron detection than (10)B-loaded liquids. Neutron efficiency calculations are also presented.

Dexter energy transfer pathways

PubMed Central

Skourtis, Spiros S.; Liu, Chaoren; Antoniou, Panayiotis; Virshup, Aaron M.; Beratan, David N.

2016-01-01

Energy transfer with an associated spin change of the donor and acceptor, Dexter energy transfer, is critically important in solar energy harvesting assemblies, damage protection schemes of photobiology, and organometallic opto-electronic materials. Dexter transfer between chemically linked donors and acceptors is bridge mediated, presenting an enticing analogy with bridge-mediated electron and hole transfer. However, Dexter coupling pathways must convey both an electron and a hole from donor to acceptor, and this adds considerable richness to the mediation process. We dissect the bridge-mediated Dexter coupling mechanisms and formulate a theory for triplet energy transfer coupling pathways. Virtual donor–acceptor charge-transfer exciton intermediates dominate at shorter distances or higher tunneling energy gaps, whereas virtual intermediates with an electron and a hole both on the bridge (virtual bridge excitons) dominate for longer distances or lower energy gaps. The effects of virtual bridge excitons were neglected in earlier treatments. The two-particle pathway framework developed here shows how Dexter energy-transfer rates depend on donor, bridge, and acceptor energetics, as well as on orbital symmetry and quantum interference among pathways. PMID:27382185

Synthesis of Formate Esters and Formamides Using an Au/TiO2-Catalyzed Aerobic Oxidative Coupling of Paraformaldehyde

PubMed Central

Metaxas, Ioannis; Vasilikogiannaki, Eleni

2017-01-01

A simple method for the synthesis of formate esters and formamides is presented based on the Au/TiO2-catalyzed aerobic oxidative coupling between alcohols or amines and formaldehyde. The suitable form of formaldehyde is paraformaldehyde, as cyclic trimeric 1,3,5-trioxane is inactive. The reaction proceeds via the formation of an intermediate hemiacetal or hemiaminal, respectively, followed by the Au nanoparticle-catalyzed aerobic oxidation of the intermediate. Typically, the oxidative coupling between formaldehyde (2 equiv) and amines occurs quantitatively at room temperature within 4 h, and there is no need to add a base as in analogous coupling reactions. The oxidative coupling between formaldehyde (typically 3 equiv) and alcohols is unprecedented and occurs more slowly, yet in good to excellent yields and selectivity. Minor side-products (2–12%) from the acetalization of formaldehyde by the alcohol are also formed. The catalyst is recyclable and can be reused after a simple filtration in five consecutive runs with a small loss of activity. PMID:29231853

Geologic Evolution of North America: Geologic features suggest that the continent has grown and differentiated through geologic time.

PubMed

Engel, A E

1963-04-12

The oldest decipherable rock complexes within continents (more than 2.5 billion years old) are largely basaltic volcanics and graywacke. Recent and modern analogs are the island arcs formed along and adjacent to the unstable interface of continental and oceanic crusts. The major interfacial reactions (orogenies) incorporate pre-existing sial, oceanic crust, and mantle into crust of a more continental type. Incipient stages of continental evolution, more than 3 billion years ago, remain obscure. They may involve either a cataclysmic granite-forming event or a succession of volcanic-sedimentary and granite-forming cycles. Intermediate and recent stages of continental evolution, as indicated by data for North America, involve accretion of numerous crustal interfaces with fragments of adjacent continental crust and their partial melting, reinjection, elevation, unroofing, and stabilization. Areas of relict provinces defined by ages of granites suggest that continental growth is approximately linear. But the advanced differentiation found in many provinces and the known overlaps permit wide deviation from linearity in the direction of a more explosive early or intermediate growth.

Peroxidase-type reactions suggest a heterolytic/nucleophilic O–O joining mechanism in the heme-dependent chlorite dismutase†

PubMed Central

Mayfield, Jeffrey A.; Blanc, Béatrice; Rodgers, Kenton R.; Lukat-Rodgers, Gudrun S.; DuBois, Jennifer L.

2015-01-01

Heme-containing chlorite dismutases (Clds) catalyze a highly unusual O–O bond forming reaction. The O–O cleaving reactions of hydrogen peroxide and peracetic acid (PAA) with the Cld from Dechloromonas aromatica (DaCld) were studied to better understand the Cl–O cleavage of the natural substrate and subsequent O–O bond formation. While reactions with H2O2 resulted in slow destruction of the heme, at acidic pH, heterolytic cleavage of the O–O bond of PAA cleanly yielded the ferryl porphyrin cation radical (Compound I). At alkaline pH, the reaction proceeds more rapidly and the first observed intermediate is a ferryl heme. Freezequench EPR confirmed that the latter has an uncoupled protein-based radical, indicating that Compound I is the first intermediate formed at all pH values and that radical migration is faster at alkaline pH. These results suggest by analogy that two-electron Cl–O bond cleavage to yield a ferryl-porphyrin cation radical is the most likely initial step in O–O bond formation from chlorite. PMID:24001266

Dual role for argonautes in microRNA processing and posttranscriptional regulation of microRNA expression.

PubMed

Diederichs, Sven; Haber, Daniel A

2007-12-14

MicroRNAs are small endogenous noncoding RNAs involved in posttranscriptional gene regulation. During microRNA biogenesis, Drosha and Dicer process the primary transcript (pri-miRNA) through a precursor hairpin (pre-miRNA) to the mature miRNA. The miRNA is incorporated into the RNA-Induced Silencing Complex (RISC) with Argonaute proteins, the effector molecules in RNA interference (RNAi). Here, we show that all Argonautes elevate mature miRNA expression posttranscriptionally, independent of RNase activity. Also, we identify a role for the RISC slicer Argonaute2 (Ago2) in cleaving the pre-miRNA to an additional processing intermediate, termed Ago2-cleaved precursor miRNA or ac-pre-miRNA. This endogenous, on-pathway intermediate results from cleavage of the pre-miRNA hairpin 12 nucleotides from its 3'-end. By analogy to siRNA processing, Ago2 cleavage may facilitate removal of the nicked passenger strand from RISC after maturation. The multiple roles of Argonautes in the RNAi effector phase and miRNA biogenesis and maturation suggest coordinate regulation of microRNA expression and function.

On the structure of the disordered Bi 2Te 4O 11 phase

NASA Astrophysics Data System (ADS)

Masson, O.; Thomas, P.; Durand, O.; Hansen, T.; Champarnaud, J. C.; Mercurio, D.

2004-06-01

The structure of the disordered metastable Bi 2Te 4O 11 phase has been investigated using both neutron powder diffraction and reverse Monte Carlo (RMC) modelling. The average structure, of fluorite-type (space group Fm 3¯m ), is characterized by very high Debye-Waller parameters, especially for oxygen. Whereas the cations form a fairly well-defined FCC lattice, the oxygen sublattice is very disordered. It is shown that the local order is similar to that present in the stable monoclinic Bi 2Te 4O 11 phase. Clear differences are observed for the intermediate range order. The present phase is analogous to the "anti-glass" phases reported by Trömel in other tellurium-based mixed oxides. However, whereas Trömel defines anti-glass as having long range order but no short range order, it is shown here that this phase is best described as an intermediate state between the amorphous and crystalline states, i.e. having short and medium range order similar to that of tellurite glasses and a premise of long range order with the cations only.

Dexter energy transfer pathways.

PubMed

Skourtis, Spiros S; Liu, Chaoren; Antoniou, Panayiotis; Virshup, Aaron M; Beratan, David N

2016-07-19

Energy transfer with an associated spin change of the donor and acceptor, Dexter energy transfer, is critically important in solar energy harvesting assemblies, damage protection schemes of photobiology, and organometallic opto-electronic materials. Dexter transfer between chemically linked donors and acceptors is bridge mediated, presenting an enticing analogy with bridge-mediated electron and hole transfer. However, Dexter coupling pathways must convey both an electron and a hole from donor to acceptor, and this adds considerable richness to the mediation process. We dissect the bridge-mediated Dexter coupling mechanisms and formulate a theory for triplet energy transfer coupling pathways. Virtual donor-acceptor charge-transfer exciton intermediates dominate at shorter distances or higher tunneling energy gaps, whereas virtual intermediates with an electron and a hole both on the bridge (virtual bridge excitons) dominate for longer distances or lower energy gaps. The effects of virtual bridge excitons were neglected in earlier treatments. The two-particle pathway framework developed here shows how Dexter energy-transfer rates depend on donor, bridge, and acceptor energetics, as well as on orbital symmetry and quantum interference among pathways.

Crossover behavior of the thermal conductance and Kramers’ transition rate theory

DOE PAGES

Velizhanin, Kirill A.; Sahu, Subin; Chien, Chih -Chun; ...

2015-12-04

Kramers’ theory frames chemical reaction rates in solution as reactants overcoming a barrier in the presence of friction and noise. For weak coupling to the solution, the reaction rate is limited by the rate at which the solution can restore equilibrium after a subset of reactants have surmounted the barrier to become products. For strong coupling, there are always sufficiently energetic reactants. However, the solution returns many of the intermediate states back to the reactants before the product fully forms. Here, we demonstrate that the thermal conductance displays an analogous physical response to the friction and noise that drive themore » heat current through a material or structure. A crossover behavior emerges where the thermal reservoirs dominate the conductance at the extremes and only in the intermediate region are the intrinsic properties of the lattice manifest. Finally, not only does this shed new light on Kramers’ classic turnover problem, this result is significant for the design of devices for thermal management and other applications, as well as the proper simulation of transport at the nanoscale.« less

Intermediate pyrolysis of agro-industrial biomasses in bench-scale pyrolyser: Product yields and its characterization.

PubMed

Tinwala, Farha; Mohanty, Pravakar; Parmar, Snehal; Patel, Anant; Pant, Kamal K

2015-01-01

Pyrolysis of woody biomass, agro-residues and seed was carried out at 500 ± 10 °C in a fixed bed pyrolyser. Bio-oil yield was found varying from 20.5% to 47.5%, whereas the biochar and pyrolysis gas ranged from 27.5% to 40% and 24.5% to 40.5%, respectively. Pyrolysis gas was measured for flame temperature along with CO, CO2, H2, CH4 and other gases composition. HHV of biochar (29.4 MJ/kg) and pyrolitic gas (8.6 MJ/kg) of woody biomass was higher analogous to sub-bituminous coal and steam gasification based producer gas respectively, whereas HHV of bio-oil obtained from seed (25.6 MJ/kg) was significantly more than husks, shells and straws. TGA-DTG studies showed the husks as potential source for the pyrolysis. Bio-oils as a major by-product of intermediate pyrolysis have several applications like substitute of furnace oil, extraction of fine chemicals, whereas biochar as a soil amendment for enhancing soil fertility and gases for thermal application. Copyright © 2015 Elsevier Ltd. All rights reserved.

A survey of pulse shape options for a revised plastic ablator ignition design

NASA Astrophysics Data System (ADS)

Clark, Daniel; Eder, David; Haan, Steven; Hinkel, Denise; Jones, Ogden; Marinak, Michael; Milovich, Jose; Peterson, Jayson; Robey, Harold; Salmonson, Jay; Smalyuk, Vladimir; Weber, Christopher

2014-10-01

Recent experimental results using the ``high foot'' pulse shape on the National Ignition Facility (NIF) have shown encouraging progress compared to earlier ``low foot'' experiments. These results strongly suggest that controlling ablation front instability growth can dramatically improve implosion performance, even in the presence of persistent, large, low-mode distortions. In parallel, Hydro. Growth Radiography experiments have so far validated the techniques used for modeling ablation front growth in NIF experiments. It is timely then to combine these two results and ask how current ignition pulse shapes could be modified so as to improve implosion performance, namely fuel compressibility, while maintaining the stability properties demonstrated with the high foot. This talk presents a survey of pulse shapes intermediate between the low and high foot extremes in search of a more optimal design. From the database of pulse shapes surveyed, a higher picket version of the original low foot pulse shape shows the most promise for improved compression without loss of stability. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Explaining intermediate filament accumulation in giant axonal neuropathy

PubMed Central

Opal, Puneet; Goldman, Robert D.

2013-01-01

Giant axonal neuropathy (GAN)1 is a rare autosomal recessive neurological disorder caused by mutations in the GAN gene that encodes gigaxonin, a member of the BTB/Kelch family of E3 ligase adaptor proteins.1 This disease is characterized by the aggregation of Intermediate Filaments (IF)—cytoskeletal elements that play important roles in cell physiology including the regulation of cell shape, motility, mechanics and intra-cellular signaling. Although a range of cell types are affected in GAN, neurons display the most severe pathology, with neuronal intermediate filament accumulation and aggregation; this in turn causes axonal swellings or “giant axons.” A mechanistic understanding of GAN IF pathology has eluded researchers for many years. In a recent study1 we demonstrate that the normal function of gigaxonin is to regulate the degradation of IF proteins via the proteasome. Our findings present the first direct link between GAN mutations and IF pathology; moreover, given the importance of IF aggregations in a wide range of disease conditions, our findings could have wider ramifications. PMID:25003002

Understanding and Tailoring Grain Growth of Lead-Halide Perovskite for Solar Cell Application.

PubMed

Ma, Yongchao; Liu, Yanliang; Shin, Insoo; Hwang, In-Wook; Jung, Yun Kyung; Jeong, Jung Hyun; Park, Sung Heum; Kim, Kwang Ho

2017-10-04

The fundamental mechanism of grain growth evolution in the fabrication process from the precursor phase to the perovskite phase is not fully understood despite its importance in achieving high-quality grains in organic-inorganic hybrid perovskites, which are strongly affected by processing parameters. In this work, we investigate the fundamental conversion mechanism from the precursor phase of perovskite to the complete perovskite phase and how the intermediate phase promotes growth of the perovskite grains during the fabrication process. By monitoring the morphological evolution of the perovskite during the film fabrication process, we observed a clear rod-shaped intermediate phase in the highly crystalline perovskite and investigated the role of the nanorod intermediate phase on the growth of the grains of the perovskite film. Furthermore, on the basis of these findings, we developed a simple and effective method to tailor grain properties including the crystallinity, size, and number of grain boundaries, and then utilized the film with the tailored grains to develop perovskite solar cells.

Influence of affective significance on different levels of processing using pupil dilation in an analogical reasoning task.

PubMed

Prehn, Kristin; Heekeren, Hauke R; van der Meer, Elke

2011-02-01

The present study investigates the interaction of cognition and emotion in decision making, using an analogical reasoning task. In this task, two word pairs were presented simultaneously. Each word pair could be characterized by an associative conceptual relation (object, actor, or location relation) as well as an emotional relation (negative, neutral, or positive valence). Both types of relations were equally task-relevant: Participants had to identify both types of relations, to compare them, and to decide whether or not the word pairs were analogous, i.e., corresponding in both conceptual and emotional relations. Behavioral data showed that emotional relations were identified preferentially and faster than conceptual relations. Pupil dilations reflected the descending difficulty of the conditions and were greatest in amplitude when both conceptual and emotional correspondence was shown, intermediate when only one type of relation (either the emotional or the conceptual) corresponded, and least when neither correspondence existed. Additionally, a negative valence of the word material slowed down response times and increased pupil dilation relative to positive and neutral items. In summary, pupil and response time data together support recent (neurobiological) models concerning the interaction of emotion and cognition by showing that affective significance leads to a processing advantage at a cognitively lower level of information processing (here, identification or retrieval of relations from long-term memory) but can also distract people from higher level cognitive processes (here, from the controlled comparison of retrieved relations). Copyright © 2010 Elsevier B.V. All rights reserved.

Challenges and unmet needs in basal insulin therapy: lessons from the Asian experience

PubMed Central

Chan, Wing Bun; Chen, Jung Fu; Goh, Su-Yen; Vu, Thi Thanh Huyen; Isip-Tan, Iris Thiele; Mudjanarko, Sony Wibisono; Bajpai, Shailendra; Mabunay, Maria Aileen; Bunnag, Pongamorn

2017-01-01

Basal insulin therapy can improve glycemic control in people with type 2 diabetes. However, timely initiation, optimal titration, and proper adherence to prescribed basal insulin regimens are necessary to achieve optimal glycemic control. Even so, glycemic control may remain suboptimal in a significant proportion of patients. Unique circumstances in Asia (eg, limited resources, management of diabetes primarily in nonspecialist settings, and patient populations that are predominantly less educated) coupled with the limitations of current basal insulin options (eg, risk of hypoglycemia and dosing time inflexibility) amplify the challenge of optimal basal insulin therapy in Asia. Significant progress has been made with long-acting insulin analogs (insulin glargine 100 units/mL and insulin detemir), which provide longer coverage and less risk of hypoglycemia over intermediate-acting insulin (Neutral Protamine Hagedorn insulin). Furthermore, recent clinical evidence suggests that newer long-acting insulin analogs, new insulin glargine 300 units/mL and insulin degludec, may address some of the unmet needs of current basal insulin options in terms of risk of hypoglycemia and dosing time inflexibility. Nevertheless, more can be done to overcome barriers to basal insulin therapy in Asia, through educating both patients and physicians, developing better patient support models, and improving accessibility to long-acting insulin analogs. In this study, we highlight the unique challenges associated with basal insulin therapy in Asia and, where possible, propose strategies to address the unmet needs by drawing on clinical experiences and perspectives in Asia. PMID:29276400

Challenges and unmet needs in basal insulin therapy: lessons from the Asian experience.

PubMed

Chan, Wing Bun; Chen, Jung Fu; Goh, Su-Yen; Vu, Thi Thanh Huyen; Isip-Tan, Iris Thiele; Mudjanarko, Sony Wibisono; Bajpai, Shailendra; Mabunay, Maria Aileen; Bunnag, Pongamorn

2017-01-01

Basal insulin therapy can improve glycemic control in people with type 2 diabetes. However, timely initiation, optimal titration, and proper adherence to prescribed basal insulin regimens are necessary to achieve optimal glycemic control. Even so, glycemic control may remain suboptimal in a significant proportion of patients. Unique circumstances in Asia (eg, limited resources, management of diabetes primarily in nonspecialist settings, and patient populations that are predominantly less educated) coupled with the limitations of current basal insulin options (eg, risk of hypoglycemia and dosing time inflexibility) amplify the challenge of optimal basal insulin therapy in Asia. Significant progress has been made with long-acting insulin analogs (insulin glargine 100 units/mL and insulin detemir), which provide longer coverage and less risk of hypoglycemia over intermediate-acting insulin (Neutral Protamine Hagedorn insulin). Furthermore, recent clinical evidence suggests that newer long-acting insulin analogs, new insulin glargine 300 units/mL and insulin degludec, may address some of the unmet needs of current basal insulin options in terms of risk of hypoglycemia and dosing time inflexibility. Nevertheless, more can be done to overcome barriers to basal insulin therapy in Asia, through educating both patients and physicians, developing better patient support models, and improving accessibility to long-acting insulin analogs. In this study, we highlight the unique challenges associated with basal insulin therapy in Asia and, where possible, propose strategies to address the unmet needs by drawing on clinical experiences and perspectives in Asia.

Synthesis of 2-Deoxybrassinosteroids Analogs with 24-nor, 22(S)-23-Dihydroxy-Type Side Chains from Hyodeoxycholic Acid.

PubMed

Carvajal, Rodrigo; González, Cesar; Olea, Andrés F; Fuentealba, Mauricio; Espinoza, Luis

2018-05-29

Natural brassinosteroids are widespread in the plant kingdom and it is known that they play an important role in regulating plant growth. In this study, two new brassinosteroid analogs with shorter side chains but keeping the diol function were synthesized. Thus, the synthesis of 2-deoxybrassinosteroids analogs of the 3α-hydroxy-24-nor, 22,23-dihydroxy-5α-cholestane side chain type is described. The starting material is a derivative from hyodeoxycholic acid ( 4 ), which was obtained with an overall yield of 59% following a previously reported five step route. The side chain of this intermediate was modified by oxidative decarboxylation to get a terminal olefin at the C22-C23 position (compound 20 ) and subsequent dihydroxylation of the olefin. The resulting epimeric mixture of 21a , 21b was separated and the absolute configuration at the C22 carbon for the main product 21a was elucidated by single crystal X-ray diffraction analysis of the benzoylated derivative 22 . Finally, lactonization of 21a through a Baeyer-Villiger oxidation of triacetylated derivative 23 , using CF₃CO₃H/CHCl₃ as oxidant system, leads to lactones 24 and 25 in 35% and 14% yields, respectively. Deacetylation of these compounds leads to 2-deoxybrassinosteroids 18 and 19 in 86% and 81% yields. Full structural characterization of all synthesized compounds was achieved using their 1D, 2D NMR, and HRMS data.

Understanding the hydrolysis mechanism of ethyl acetate catalyzed by an aqueous molybdocene: a computational chemistry investigation.

PubMed

Tílvez, Elkin; Cárdenas-Jirón, Gloria I; Menéndez, María I; López, Ramón

2015-02-16

A thoroughly mechanistic investigation on the [Cp2Mo(OH)(OH2)](+)-catalyzed hydrolysis of ethyl acetate has been performed using density functional theory methodology together with continuum and discrete-continuum solvation models. The use of explicit water molecules in the PCM-B3LYP/aug-cc-pVTZ (aug-cc-pVTZ-PP for Mo)//PCM-B3LYP/aug-cc-pVDZ (aug-cc-pVDZ-PP for Mo) computations is crucial to show that the intramolecular hydroxo ligand attack is the preferred mechanism in agreement with experimental suggestions. Besides, the most stable intermediate located along this mechanism is analogous to that experimentally reported for the norbornenyl acetate hydrolysis catalyzed by molybdocenes. The three most relevant steps are the formation and cleavage of the tetrahedral intermediate immediately formed after the hydroxo ligand attack and the acetic acid formation, with the second one being the rate-determining step with a Gibbs energy barrier of 36.7 kcal/mol. Among several functionals checked, B3LYP-D3 and M06 give the best agreement with experiment as the rate-determining Gibbs energy barrier obtained only differs 0.2 and 0.7 kcal/mol, respectively, from that derived from the experimental kinetic constant measured at 296.15 K. In both cases, the acetic acid elimination becomes now the rate-determining step of the overall process as it is 0.4 kcal/mol less stable than the tetrahedral intermediate cleavage. Apart from clarifying the identity of the cyclic intermediate and discarding the tetrahedral intermediate formation as the rate-determining step for the mechanism of the acetyl acetate hydrolysis catalyzed by molybdocenes, the small difference in the Gibbs energy barrier found between the acetic acid formation and the tetrahedral intermediate cleavage also uncovers that the rate-determining step could change when studying the reactivity of carboxylic esters other than ethyl acetate substrate specific toward molybdocenes or other transition metal complexes. Therefore, in general, the information reported here could be of interest in designing new catalysts and understanding the reaction mechanism of these and other metal-catalyzed hydrolysis reactions.

Investigation of FPGA-Based Real-Time Adaptive Digital Pulse Shaping for High-Count-Rate Applications

NASA Astrophysics Data System (ADS)

Saxena, Shefali; Hawari, Ayman I.

2017-07-01

Digital signal processing techniques have been widely used in radiation spectrometry to provide improved stability and performance with compact physical size over the traditional analog signal processing. In this paper, field-programmable gate array (FPGA)-based adaptive digital pulse shaping techniques are investigated for real-time signal processing. National Instruments (NI) NI 5761 14-bit, 250-MS/s adaptor module is used for digitizing high-purity germanium (HPGe) detector's preamplifier pulses. Digital pulse processing algorithms are implemented on the NI PXIe-7975R reconfigurable FPGA (Kintex-7) using the LabVIEW FPGA module. Based on the time separation between successive input pulses, the adaptive shaping algorithm selects the optimum shaping parameters (rise time and flattop time of trapezoid-shaping filter) for each incoming signal. A digital Sallen-Key low-pass filter is implemented to enhance signal-to-noise ratio and reduce baseline drifting in trapezoid shaping. A recursive trapezoid-shaping filter algorithm is employed for pole-zero compensation of exponentially decayed (with two-decay constants) preamplifier pulses of an HPGe detector. It allows extraction of pulse height information at the beginning of each pulse, thereby reducing the pulse pileup and increasing throughput. The algorithms for RC-CR2 timing filter, baseline restoration, pile-up rejection, and pulse height determination are digitally implemented for radiation spectroscopy. Traditionally, at high-count-rate conditions, a shorter shaping time is preferred to achieve high throughput, which deteriorates energy resolution. In this paper, experimental results are presented for varying count-rate and pulse shaping conditions. Using adaptive shaping, increased throughput is accepted while preserving the energy resolution observed using the longer shaping times.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zarkevich, N. A.; Johnson, D. D.

NiTi is the most used shape-memory alloy, nonetheless, a lack of understanding remains regarding the associated structures and transitions, including their barriers. Using a generalized solid-state nudge elastic band (GSSNEB) method implemented via density-functional theory, we detail the structural transformations in NiTi relevant to shape memory: those between body-centered orthorhombic (BCO) groundstate and a newly identified stable austenite (“glassy” B2-like) structure, including energy barriers (hysteresis) and intermediate structures (observed as a kinetically limited R-phase), and between martensite variants (BCO orientations). All results are in good agreement with available experiment. We contrast the austenite results to those from the often-assumed, butmore » unstable B2. Furthermore, these high- and low-temperature structures and structural transformations provide much needed atomic-scale detail for transitions responsible for NiTi shape-memory effects.« less

Environmental Temperature Effect on the Far-Infrared Absorption Features of Aromatic-Based Titan's Aerosol Analogs

NASA Technical Reports Server (NTRS)

Gautier, Thomas; Trainer, Melissa G.; Loeffler, Mark J.; Sebree, Joshua A.; Anderson, Carrie M.

2016-01-01

Benzene detection has been reported in Titans atmosphere both in the stratosphere at ppb levels by remote sensing and in the thermosphere at ppm levels by the Cassini's Ion and Neutral Mass Spectrometer. This detection supports the idea that aromatic and heteroaromatic reaction pathways may play an important role in Titans atmospheric chemistry, especially in the formation of aerosols. Indeed, aromatic molecules are easily dissociated by ultraviolet radiation and can therefore contribute significantly to aerosol formation. It has been shown recently that aerosol analogs produced from a gas mixture containing a low concentration of aromatic and/or heteroaromatic molecules (benzene, naphthalene, pyridine, quinoline and isoquinoline) have spectral signatures below 500/cm, a first step towards reproducing the aerosol spectral features observed by Cassini's Composite InfraRed Spectrometer (CIRS) in the far infrared. In this work we investigate the influence of environmental temperature on the absorption spectra of such aerosol samples, simulating the temperature range to which aerosols, once formed, are exposed during their transport through Titans stratosphere. Our results show that environmental temperature does not have any major effect on the spectral shape of these aerosol analogs in the far-infrared, which is consistent with the CIRS observations.

Analog-Based Postprocessing of Navigation-Related Hydrological Ensemble Forecasts

NASA Astrophysics Data System (ADS)

Hemri, S.; Klein, B.

2017-11-01

Inland waterway transport benefits from probabilistic forecasts of water levels as they allow to optimize the ship load and, hence, to minimize the transport costs. Probabilistic state-of-the-art hydrologic ensemble forecasts inherit biases and dispersion errors from the atmospheric ensemble forecasts they are driven with. The use of statistical postprocessing techniques like ensemble model output statistics (EMOS) allows for a reduction of these systematic errors by fitting a statistical model based on training data. In this study, training periods for EMOS are selected based on forecast analogs, i.e., historical forecasts that are similar to the forecast to be verified. Due to the strong autocorrelation of water levels, forecast analogs have to be selected based on entire forecast hydrographs in order to guarantee similar hydrograph shapes. Custom-tailored measures of similarity for forecast hydrographs comprise hydrological series distance (SD), the hydrological matching algorithm (HMA), and dynamic time warping (DTW). Verification against observations reveals that EMOS forecasts for water level at three gauges along the river Rhine with training periods selected based on SD, HMA, and DTW compare favorably with reference EMOS forecasts, which are based on either seasonal training periods or on training periods obtained by dividing the hydrological forecast trajectories into runoff regimes.

Messy but Meaningful: Exploring the Transition to Reform-Based Pedagogy with Teachers of Mathematics and Coordinators in Ontario, Canada

ERIC Educational Resources Information Center

Jarvis, Daniel

2016-01-01

The RE4MUL8 Project involved the creation of an online/mobile resource for Intermediate Division (Grade 7 and 8) teachers of mathematics. This resource showcases video documentaries of seven key mathematics topic lessons (fractions, integers, proportional reasoning, composite shapes and solids, solving equations, and, patterning and algebraic…

Nonlinear Analysis of Surface EMG Time Series of Back Muscles

NASA Astrophysics Data System (ADS)

Dolton, Donald C.; Zurcher, Ulrich; Kaufman, Miron; Sung, Paul

2004-10-01

A nonlinear analysis of surface electromyography time series of subjects with and without low back pain is presented. The mean-square displacement and entropy shows anomalous diffusive behavior on intermediate time range 10 ms < t < 1 s. This behavior implies the presence of correlations in the signal. We discuss the shape of the power spectrum of the signal.

'Ebony Embers', 'Ebony Fire', 'Ebony Flame','Ebony Glow' and 'Ebony and Ivory' Dark-Leaf Crapemyrtles

USDA-ARS?s Scientific Manuscript database

‘Ebony Embers’, ‘Ebony Fire’, ‘Ebony Flame’, ‘Ebony Glow’ and ‘Ebony and Ivory’ are cultivars which are predominantly L. indica in heritage that combine persistent black-purple leaves and a range of flower colors with intermediate growth habits. ‘Ebony Embers’ has a vase shaped growth habit with dim...

Macroecological patterns of phytoplankton in the northwestern North Atlantic Ocean.

PubMed

Li, W K W

2002-09-12

Many issues in biological oceanography are regional or global in scope; however, there are not many data sets of extensive areal coverage for marine plankton. In microbial ecology, a fruitful approach to large-scale questions is comparative analysis wherein statistical data patterns are sought from different ecosystems, frequently assembled from unrelated studies. A more recent approach termed macroecology characterizes phenomena emerging from large numbers of biological units by emphasizing the shapes and boundaries of statistical distributions, because these reflect the constraints on variation. Here, I use a set of flow cytometric measurements to provide macroecological perspectives on North Atlantic phytoplankton communities. Distinct trends of abundance in picophytoplankton and both small and large nanophytoplankton underlaid two patterns. First, total abundance of the three groups was related to assemblage mean-cell size according to the 3/4 power law of allometric scaling in biology. Second, cytometric diversity (an ataxonomic measure of assemblage entropy) was maximal at intermediate levels of water column stratification. Here, intermediate disturbance shapes diversity through an equitable distribution of cells in size classes, from which arises a high overall biomass. By subsuming local fluctuations, macroecology reveals meaningful patterns of phytoplankton at large scales.

A Feasibility Study of the Flare-Cylinder Configuration as a Reentry Body Shape for an Intermediate Range Ballistic Missile

NASA Technical Reports Server (NTRS)

Garland, B. J.; Hall, J. R.

1958-01-01

A study has been made of a flare-cylinder configuration to investigate its feasibility as a reentry body of an intermediate range ballistic missile. Factors considered were heating, weight, stability, and impact velocity. A series of trajectories covering the possible range of weight-drag ratios were computed for simple truncated nose shapes of varying pointedness, and hence varying weight-drag ratios. Four trajectories were chosen for detailed temperature computation from among those trajectories estimated to be possible. Temperature calculations were made for both "conventional" (for example, copper, Inconel, and stainless steel) and "unconventional" (for example, beryllium and graphite) materials. Results of the computations showed that an impact Mach number of 0.5 was readily obtainable for a body constructed from conventional materials. A substantial increase in subsonic impact velocity above a Mach number of 0.5 was possible without exceeding material temperature limits. A weight saving of up to 134 pounds out of 822 was possible with unconventional materials. This saving represents 78 percent of the structural weight. Supersonic impact would require construction of the body from unconventional materials but appeared to be well within the range of attainability.

Cultural influence on directional tendencies in children's drawing.

PubMed

Portex, Marine; Foulin, Jean-Noël; Troadec, Bertrand

2017-09-01

The present study was aimed at investigating how print experience as a cultural factor influences directional tendencies in children's drawing in the interplay with biomechanical (hand), syntactic (shape orientation) and semantic (shape meaning) factors. Eighty-eight right-handed children from three literacy/age groups (preliterate, first graders and third graders) had to copy a geometrical shape adapted from the Rey-Osterrieth complex figure. The shape was presented alternatively leftward and rightward, while using both dominant (right) and non-dominant (left) hands. Directional tendencies were assessed regarding directionality of drawing movements at global, intermediate and local levels and deviation error in centre line bisection. Results show a global improvement of drawing quality and strategies across groups and an advantage for the dominant right hand from 6 years onward. Regarding directional tendencies, a reinforcement of a congruency effect between conditions and writing direction was found from preliterates to third graders. These results are discussed as a cultural embodiment process and have implications for psychological testing.

Shape dependent electronic structure and exciton dynamics in small In(Ga)As quantum dots

NASA Astrophysics Data System (ADS)

Gomis, J.; Martínez-Pastor, J.; Alén, B.; Granados, D.; García, J. M.; Roussignol, P.

2006-12-01

We present a study of the primary optical transitions and recombination dynamics in InGaAs self-assembled quantum nanostructures with different shape. Starting from the same quantum dot seeding layer, and depending on the overgrowth conditions, these new nanostructures can be tailored in shape and are characterized by heights lower than 2 nm and base lengths around 100 nm. The geometrical shape strongly influences the electronic and optical properties of these nanostructuctures. We measure for them ground state optical transitions in the range 1.25 1.35 eV and varying energy splitting between their excited states. The temperature dependence of the exciton recombination dynamics is reported focusing on the intermediate temperature regime (before thermal escape begins to be important). In this range, an important increase of the effective photoluminescence decay time is observed and attributed to the state filling and exciton thermalization between excited and ground states. A rate equation model is also developed reproducing quite well the observed exciton dynamics.

Effect of insulin analog initiation therapy on LDL/HDL subfraction profile and HDL associated enzymes in type 2 diabetic patients.

PubMed

Aslan, Ibrahim; Kucuksayan, Ertan; Aslan, Mutay

2013-04-24

Insulin treatment can lead to good glycemic control and result in improvement of lipid parameters in type 2 diabetic patients. This study was designed to evaluate the effect of insulin analog initiation therapy on low-density lipoprotein (LDL)/ high-density lipoprotein (HDL) sub-fractions and HDL associated enzymes in type 2 diabetic patients during early phase. Twenty four type 2 diabetic patients with glycosylated hemoglobin (HbA1c) levels above 10% despite ongoing combination therapy with sulphonylurea and metformin were selected. Former treatment regimen was continued for the first day followed by substitution of sulphonylurea therapy with different insulin analogs (0.4 U/kg/day) plus metformin. Glycemic profiles were determined over 72 hours by continuous glucose monitoring system (CGMS) and blood samples were obtained from all patients at 24 and 72 hours. Plasma levels of cholesteryl ester transfer protein (CETP), lecithin-cholesterol acyltransferase (LCAT), apolipoprotein B (apoB) and apolipoprotein A-1 (apoA-I) were determined by enzyme-linked immunosorbent assay (ELISA). Measurement of CETP and LCAT activity was performed via fluorometric analysis. Paraoxonase (PON1) enzyme activity was assessed from the rate of enzymatic hydrolysis of phenyl acetate to phenol formation. LDL and HDL subfraction analysis was done by continuous disc polyacrylamide gel electrophoresis. Mean blood glucose, total cholesterol (TC), triglyceride (TG) and very low-density lipoprotein cholesterol (VLDL-C) levels were significantly decreased while HDL-C levels were significantly increased after insulin treatment. Although LDL-C levels were not significantly different before and after insulin initiation therapy a significant increase in LDL-1 subgroup and a significant reduction in atherogenic LDL-3 and LDL-4 subgroups were observed. Insulin analog initiation therapy caused a significant increase in HDL-large, HDL- intermediate and a significant reduction in HDL-small subfractions. CETP protein level and activity was significantly increased while apoB levels were significantly decreased following insulin analog initiation therapy. No significant difference was found in LCAT mass, LCAT activity, apoA-I and PON-1 arylesterase levels following insulin initiation therapy. These findings indicate that insulin analog initiation therapy activates lipid metabolism via up-regulating CETP and shows anti-atherogenic effects by increasing HDL-large and decreasing LDL-3 and LDL-4 subfractions in a short time period.

Critical role of the neural pathway from the intermediate medial mesopallium to the intermediate hyperpallium apicale in filial imprinting of domestic chicks (Gallus gallus domesticus).

PubMed

Aoki, N; Yamaguchi, S; Kitajima, T; Takehara, A; Katagiri-Nakagawa, S; Matsui, R; Watanabe, D; Matsushima, T; Homma, K J

2015-11-12

Filial imprinting in precocial birds is a useful model for studying early learning and cognitive development, as it is characterized by a well-defined sensitive or critical period. We recently showed that the thyroid hormone 3,5,3'-triiodothyronine (T3) determines the onset of the sensitive period. Moreover, exogenous injection of T3 into the intermediate medial mesopallium (IMM) region (analogous to the associative cortex in mammals) enables imprinting even on post-hatch day 4 or 6 when the sensitive period has been terminated. However, the neural mechanisms downstream from T3 action in the IMM region remain elusive. Here, we analyzed the functional involvement of the intermediate hyperpallium apicale (IMHA) in T3 action. Bilateral excitotoxic ablation of the IMHA prevented imprinting in newly hatched chicks, and also suppressed the recovery of the sensitive period by systemic intra-venous or localized intra-IMM injection of T3 in day-4 chicks. In contrast to the effect in the IMM, direct injection of T3 into the IMHA did not enable imprinting in day-4 chicks. Moreover, bilateral ablation of IMHA after imprinting training impaired recall. These results suggest that the IMHA is critical for memory acquisition downstream following T3 action in the IMM and further, that it receives and retains information stored in the IMM for recall. Furthermore, both an avian adeno-associated viral construct containing an anterograde tracer (wheat-germ agglutinin) and a retrograde tracer (cholera toxin subunit B) revealed neural connections from the IMM to the IMHA. Taken together, our findings suggest that hierarchical processes from the primary area (IMM) to the secondary area (IMHA) are required for imprinting. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

Suicide inactivation of cytochrome P-450 by methoxsalen. Evidence for the covalent binding of a reactive intermediate to the protein moiety

DOE Office of Scientific and Technical Information (OSTI.GOV)

Labbe, G.; Descatoire, V.; Beaune, P.

Incubation of rat liver microsomes with (3H)methoxsalen and NADPH resulted in the covalent binding of a methoxsalen intermediate to proteins comigrating with cytochromes P-450 UT-A, PB-B/D, ISF-G and PCN-E. Binding was increased by pretreatments with phenobarbital, beta-naphthoflavone (beta NF) and dexamethasone. Such pretreatments also increased the loss of CO-binding capacity either after administration of methoxsalen, or after incubation of hepatic microsomes with methoxsalen and NADPH. Immunoprecipitation of the methoxsalen metabolite-protein adducts in phenobarbital-induced microsomes was moderate with anti-UT-A antibodies, but marked with anti-PB-B/D and anti-PCN-E antibodies. Immunoprecipitation was observed also with anti-ISF-G (anti-beta NF-B) antibodies in beta NF-induced microsomes. Methoxsalenmore » (0.25 mM) inhibited markedly the benzphetamine demethylase activity of phenobarbital-induced microsomes and the erythromycin demethylase activity of dexamethasone-induced microsomes. Whereas methoxsalen itself did not produce any binding spectrum, in contrast either in vivo administration of methoxsalen or incubation in vitro with methoxsalen and NADPH resulted in a low-to-high spin conversion of cytochrome P-450 as suggested by the appearance of a spectrum analogous to a type I binding spectrum. This low-to-high spin conversion was apparently due to a methoxsalen intermediate (probably, covalently bound to the protein and preventing partial sixth ligation of the iron). We conclude that suicide inactivation of cytochrome P-450 by methoxsalen is related to the covalent binding of a methoxsalen intermediate to the protein moiety of several cytochrome P-450 isoenzymes (including UT-A, PB-B/D, PCN-E as well as ISF-G and/or beta NF-B).« less

Using record player demonstrations as analog models for geophysical fluids

NASA Astrophysics Data System (ADS)

Grannan, A. M.; Cheng, J. S.; Hawkins, E. K.; Ribeiro, A.; Aurnou, J. M.

2015-12-01

All celestial bodies, including stars, planets, satellites, and asteroids, rotate. The influence of rotation on the fluid layers in these bodies plays an important and diverse role, affecting many processes including oceanic and atmospheric circulation at the surface and magnetic field generation occurring in the interior. To better understand these large-scale processes, record players and containers of water are used as analog models to demonstrate the basic interplay between rotation and fluid motions. To contrast between rotating and non-rotating fluid motions, coffee creamer and food coloring are used as fluid tracers to provide a hands-on method of understanding the influence of rotation on the shapes of the planets, weather patterns, and the alignment of magnetic fields with rotational axes. Such simple demonstrations have been successfully employed for children in public outreach events and for adults in graduate level fluid dynamics courses.

'Miracle in Iowa': metaphor, analogy, and anachronism in the history of bioethics.

PubMed

Ferber, D S

2004-07-01

The term 'bioethics' is commonly associated with debates prompted by innovations in medical technology, yet the issues raised by bioethics are not that new. They concern the extent to which medicine and social morality exist in harmony or opposition--issues routinely addressed in the social history of medicine. This paper will argue that historical thinking, understood broadly, has a significant role to play in understanding relations between medicine and social morality, and therefore in contemporary bioethics. It explores past and present uses of metaphor and analogy in shaping perceptions of scientific innovation, and argues for the validity of apparently anachronistic thinking in our judgments of the past. The aims of this paper are ultimately pedagogical: to enable students to look at media reports about developments in medicine and biotechnology in order to problematise what are presented as the self-evident terms of current debate.

MEMS analog light processing: an enabling technology for adaptive optical phase control

NASA Astrophysics Data System (ADS)

Gehner, Andreas; Wildenhain, Michael; Neumann, Hannes; Knobbe, Jens; Komenda, Ondrej

2006-01-01

Various applications in modern optics are demanding for Spatial Light Modulators (SLM) with a true analog light processing capability, e.g. the generation of arbitrary analog phase patterns for an adaptive optical phase control. For that purpose the Fraunhofer IPMS has developed a high-resolution MEMS Micro Mirror Array (MMA) with an integrated active-matrix CMOS address circuitry. The device provides 240 x 200 piston-type mirror elements with 40 μm pixel size, where each of them can be addressed and deflected independently at an 8bit height resolution with a vertical analog deflection range of up to 400 nm suitable for a 2pi phase modulation in the visible. Full user programmability and control is provided by a newly developed comfortable driver software for Windows XP based PCs supporting both a Graphical User Interface (GUI) for stand-alone operation with pre-defined data patterns as well as an open ActiveX programming interface for a direct data feed-through within a closed-loop environment. High-speed data communication is established by an IEEE1394a FireWire interface together with an electronic driving board performing the actual MMA programming and control at a maximum frame rate of up to 500 Hz. Successful application demonstrations have been given in eye aberration correction, coupling efficiency optimization into a monomode fiber, ultra-short laser pulse modulation and diffractive beam shaping. Besides a presentation of the basic device concept the paper will give an overview of the obtained results from these applications.

Microlens array for focusing airborne ultrasound using heated wire grid

NASA Astrophysics Data System (ADS)

Cai, Liang-Wu; Sánchez-Dehesa, José

2007-10-01

This letter reports on the focusing of airborne ultrasound by a simple grid of heated wires. The focusing is analogous to that of an array of optical microlenses. The focusing pattern is determined by the spacing between wires, and the focusing areas are tightly confined with a great "depth of field." Such acoustical microlens arrays have great potentials for shaping beams produced by ultrasonic transducers, in applications such as ultrasonic cleaning and nondestructive testing.

Survey of Methods and Algorithms of Robot Swarm Aggregation

NASA Astrophysics Data System (ADS)

E Shlyakhov, N.; Vatamaniuk, I. V.; Ronzhin, A. L.

2017-01-01

The paper considers the problem of swarm aggregation of autonomous robots with the use of three methods based on the analogy of the behavior of biological objects. The algorithms substantiating the requirements for hardware realization of sensor, computer and network resources and propulsion devices are presented. Techniques for efficiency estimation of swarm aggregation via space-time characteristics are described. The developed model of the robot swarm reconfiguration into a predetermined three-dimensional shape is presented.

Cosmic dust synthesis by accretion and coagulation

NASA Technical Reports Server (NTRS)

Praburam, G.; Goree, J.

1995-01-01

The morphology of grains grown by accretion and coagulation is revaled by a new laboratory method of synthesizing cosmic dust analogs. Submicron carbon particles, grown by accretion of carbon atoms from a gas, have a spherical shape with a cauliflower-like surface and an internal micro-structure of radial columns. This shape is probably common for grains grown by accretion at a temperature well below the melting point. Coagulated grains, consisting of spheres that collided to form irregular strings, were also synthesized. Another shape we produced had a bumpy non- spherical morphology, like an interplanetary particle collected in the terrestrial stratosphere. Besides these isolated grains, large spongy aggregates of nanometer-size particles were also found for various experimental conditions. Grains were synthesized using ions to sputter a solid target, producing an atomic vapor at a low temperature. The ions were provided by a plasma, which also provided electrostatic levitation of the grains during their growth. The temporal development of grain growth was studied by extinguishing the plasma after various intervals.

Edge-assignment and figure-ground segmentation in short-term visual matching.

PubMed

Driver, J; Baylis, G C

1996-12-01

Eight experiments examined the role of edge-assignment in a contour matching task. Subjects judged whether the jagged vertical edge of a probe shape matched the jagged edge that divided two adjoining shapes in an immediately preceding figure-ground display. Segmentation factors biased assignment of this dividing edge toward a figural shape on just one of its sides. Subjects were faster and more accurate at matching when the probe edge had a corresponding assignment. The rapid emergence of this effect provides an on-line analog of the long-term memory advantage for figures over grounds which Rubin (1915/1958) reported. The present on-line advantage was found when figures were defined by relative contrast and size, or by symmetry, and could not be explained solely by the automatic drawing of attention toward the location of the figural region. However, deliberate attention to one region of an otherwise ambiguous figure-ground display did produce the advantage. We propose that one-sided assignment of dividing edges may be obligatory in vision.

Li7(BH)5(+): a new thermodynamically favored star-shaped molecule.

PubMed

Torres-Vega, Juan J; Vásquez-Espinal, Alejandro; Beltran, Maria J; Ruiz, Lina; Islas, Rafael; Tiznado, William

2015-07-15

The potential energy surfaces (PESs) of Lin(BH)5(n-6) systems (where n = 5, 6, and 7) were explored using the gradient embedded genetic algorithm (GEGA) program, in order to find their global minima conformations. This search predicts that the lowest-energy isomers of Li6(BH)5 and Li7(BH)5(+) contain a (BH)5(6-) pentagonal fragment, which is isoelectronic and structurally analogous to the prototypical aromatic hydrocarbon anion C5H5(-). Li7(BH)5(+), along with Li7C5(+), Li7Si5(+) and Li7Ge5(+), joins a select group of clusters that adopt a seven-peak star-shape geometry, which is favored by aromaticity in the central five-membered ring, and by the preference of Li atoms for bridging positions. The theoretical analysis of chemical bonding, based on magnetic criteria, supports the notion that electronic delocalization is an important stabilization factor in all these star-shaped clusters.

Violation of the isolated square rule for group 13-15 oligomers: theoretical prediction of a new class of inorganic polymers.

PubMed

Timoshkin, Alexey Y; Schaefer, Henry F

2005-02-21

It is widely thought that the oligomer compounds [RMYR]n (M-group 13, Y-group 15 element) should obey the isolated square rule found for the boron-nitrogen cages. In contrast to these expectations, the needle-shaped oligomers, which violate this rule, are more stable compared to the cage (fullerene-like) oligomers for all MY pairs (M = B, Al, Ga, In; Y = N, P, As). The stability of the needle-shaped clusters improves with increasing oligomerization degree. Thus, the isolated square rule, which is analogous to the isolated pentagon rule widely applied for fullerenes, should not serve as the basis for searches for the most stable structures of the inorganic oligomers. Generation of the needle-shaped oligomers from the group 13 and 15 hydrides is thermodynamically favorable. A synthesis of novel inorganic polymers, formed by fusion of trimeric M3Y3 rings, is expected to be viable.

A Surrogate for Debye-Waller Factors from Dynamic Stokes Shifts

PubMed Central

Zhong, Qin; Johnson, Jerainne; Aamer, Khaled A.; Tyagi, Madhusudan

2011-01-01

We show that the short-time behavior of time-resolved fluorescence Stokes shifts (TRSS) are similar to that of the intermediate scattering function obtained from neutron scattering at q near the peak in the static structure factor for glycerol. This allows us to extract a Debye-Waller (DW) factor analog from TRSS data at times as short as 1 ps in a relatively simple way. Using the time-domain relaxation data obtained by this method we show that DW factors evaluated at times ≥ 40 ps can be directly influenced by α relaxation and thus should be used with caution when evaluating relationships between fast and slow dynamics in glassforming systems. PMID:21701673

All-optical, ultra-wideband microwave I/Q mixer and image-reject frequency down-converter.

PubMed

Gao, Yongsheng; Wen, Aijun; Chen, Wei; Li, Xiaoyan

2017-03-15

An all-optical and ultra-wideband microwave in-phase/quadrature (I/Q) mixer, based on a dual-parallel Mach-Zehnder modulator and a wavelength division multiplexer, is proposed. Due to the simultaneous frequency down-conversion and 360-deg tunable phase shifting in the optical domain, the proposed I/Q mixer has the advantages of high conversion gain and excellent quadrature phase balance (<±1.3 deg⁡) with a wide operating frequency from 10 to 40 GHz. Assisted by an analog or digital intermediate-frequency quadrature coupler, an image-reject frequency down-converter is then implemented, with an image rejection exceeding 50 dB over the working band.

Fluorous Parallel Synthesis of A Hydantoin/Thiohydantoin Library

PubMed Central

Lu, Yimin; Zhang, Wei

2007-01-01

Fluorous tagging strategy is applied to solution-phase parallel synthesis of a library containing hydantoin and thiohydantoin analogs. Two perfluoroalkyl (Rf)-tagged α-amino esters each react with 6 aromatic aldehydes under reductive amination conditions. Twelve amino esters then each react with 10 isocyanates and isothiocyanates in parallel. The resulting 120 ureas and thioureas undergo spontaneous cyclization to form the corresponding hydantoins and thiohydantoins. The intermediate and final product purifications are performed with solid-phase extraction (SPE) over FluoroFlash™ cartridges, no chromatography is required. Using standard instruments and straightforward SPE technique, one chemist accomplished the 120-member library synthesis in less than 5 working days, including starting material synthesis and product analysis. PMID:15789556

Theory of warm ionized gases: equation of state and kinetic Schottky anomaly.

PubMed

Capolupo, A; Giampaolo, S M; Illuminati, F

2013-10-01

Based on accurate Lennard-Jones-type interaction potentials, we derive a closed set of state equations for the description of warm atomic gases in the presence of ionization processes. The specific heat is predicted to exhibit peaks in correspondence to single and multiple ionizations. Such kinetic analog in atomic gases of the Schottky anomaly in solids is enhanced at intermediate and low atomic densities. The case of adiabatic compression of noble gases is analyzed in detail and the implications on sonoluminescence are discussed. In particular, the predicted plasma electron density in a sonoluminescent bubble turns out to be in good agreement with the value measured in recent experiments.

Altered structural development and accelerated succession from intermediate-scale wind disturbance in Quercus stands on the Cumberland Plateau, USA

Treesearch

Stephen D White; Justin L. Hart; Callie J. Schweitzer; Daniel C. Dey

2015-01-01

Natural disturbances play important roles in shaping the structure and composition of all forest ecosystems and can be used to inform silvicultural practices. Canopy disturbances are often classified along a gradient ranging from highly localized, gap-scale events to stand-replacing events. Wind storms such as downbursts, derechos, and low intensity tornadoes typically...

‘Ebony Embers’, ‘Ebony Fire’, ‘Ebony Flame’, ‘Ebony Glow’ and ‘Ebony and Ivory’ Five New Dark-leaved Crape Myrtles

USDA-ARS?s Scientific Manuscript database

Ebony Embers’, ‘Ebony Fire’, ‘Ebony Flame’, ‘Ebony Glow’ and ‘Ebony and Ivory’ are cultivars which are predominantly L. indica in heritage that combine persistent black-purple leaves and a range of flower colors with intermediate growth habits. ‘Ebony Embers’ has a vase shaped growth habit with dime...

Formation of a Criegee intermediate in the low-temperature oxidation of dimethyl sulfoxide.

PubMed

Asatryan, Rubik; Bozzelli, Joseph W

2008-04-07

Dimethyl sulfoxide (DMSO) is the major sulfur-containing constituent of the Marine Boundary Layer. It is a significant source of H2SO4 aerosol/particles and methane sulfonic acid via atmospheric oxidation processes, where the mechanism is not established. In this study, several new, low-temperature pathways are revealed in the oxidation of DMSO using CBS-QB3 and G3MP2 multilevel and B3LYP hybrid density functional quantum chemical methods. Unlike analogous hydrocarbon peroxy radicals the chemically activated DMSO peroxy radical, [CH3S(=O)CH2OO*]*, predominantly undergoes simple dissociation to a methylsulfinyl radical CH3S*(=O) and a Criegee intermediate, CH2OO, with the barrier to dissociation 11.3 kcal mol(-1) below the energy of the CH3S(=O)CH2* + O2 reactants. The well depth for addition of O2 to the CH3S(=O)CH2 precursor radical is 29.6 kcal mol(-1) at the CBS-QB3 level of theory. We believe that this reaction may serve an important role in atmospheric photochemical and irradiated biological (oxygen-rich) media where formation of initial radicals is facilitated even at lower temperatures. The Criegee intermediate (carbonyl oxide, peroxymethylene) and sulfinyl radical can further decompose, resulting in additional chain branching. A second reaction channel important for oxidation processes includes formation (via intramolecular H atom transfer) and further decomposition of hydroperoxide methylsulfoxide radical, *CH2S(=O)CH2OOH over a low barrier of activation. The initial H-transfer reaction is similar and common in analogous hydrocarbon radical + O2 reactions; but the subsequent very low (3-6 kcal mol(-1)) barrier (14 kcal mol(-1) below the initial reagents) to beta-scission products is not common in HC systems. The low energy reaction of the hydroperoxide radical is a beta-scission elimination of *CH2S(=O)CH2OOH into the CH2=S=O + CH2O + *OH product set. This beta-scission barrier is low, because of the delocalization of the *CH2 radical center through the -S(=O) group, to the -CH2OOH fragment in the transition state structure. The hydroperoxide methylsulfoxide radical can also decompose via a second reaction channel of intramolecular OH migration, yielding formaldehyde and a sulfur-centered hydroxymethylsulfinyl radical HOCH2S*(=O). The barrier of activation relative to initial reagents is 4.2 kcal mol(-1). Heats of formation for DMSO, DMSO carbon-centered radical and Criegee intermediate are evaluated at 298 K as -35.97 +/- 0.05, 13.0 +/- 0.2 and 25.3 +/- 0.7 kcal mol(-1) respectively using isodesmic reaction analysis. The [CH3S*(=O) + CH2OO] product set is shown to form a van der Waals complex that results in O-atom transfer reaction and the formation of new products CH3SO2* radical and CH2O. Proper orientation of the Criegee intermediate and methylsulfinyl radical, as a pre-stabilized pre-reaction complex, assist the process. The DMSO radical reaction is also compared to that of acetonyl radical.

Structure optimization and preliminary bioactivity evaluation of N-hydroxybenzamide-based HDAC inhibitors with Y-shaped cap.

PubMed

Yu, Chenggong; He, Feng; Qu, Ying; Zhang, Qiuqiong; Lv, Jiahui; Zhang, Xiangna; Xu, Ana; Miao, Pannan; Wu, Jingde

2018-05-01

Histone deacetylase inhibitors (HDACIs) are effective small molecules in the treatment of human cancers. In our continuing efforts to develop novel N-hydroxyterephthalamide-based HDACIs, herein we report the design and development of a new class of N-hydroxybenzamide-based HDACIs. In this new class of analogs, we inserted an ethylene moiety in the linker and used indole as a part of the Y-shaped cap group. Biological characterization identified compounds 4o, 4p, 4q and 4t to show improved HDAC inhibition, while no isoform selectivity for HDACs was observed. These compounds also exhibited improved anti-proliferative activity against multiple cancer cell lines when compared to their parent compound and positive control SAHA. Copyright © 2018 Elsevier Ltd. All rights reserved.

Psychometric Functions of Dual-Task Paradigms for Measuring Listening Effort.

PubMed

Wu, Yu-Hsiang; Stangl, Elizabeth; Zhang, Xuyang; Perkins, Joanna; Eilers, Emily

The purpose of the study was to characterize the psychometric functions that describe task performance in dual-task listening effort measures as a function of signal to noise ratio (SNR). Younger adults with normal hearing (YNH, n = 24; experiment 1) and older adults with hearing impairment (n = 24; experiment 2) were recruited. Dual-task paradigms wherein the participants performed a primary speech recognition task simultaneously with a secondary task were conducted at a wide range of SNRs. Two different secondary tasks were used: an easy task (i.e., a simple visual reaction-time task) and a hard task (i.e., the incongruent Stroop test). The reaction time (RT) quantified the performance of the secondary task. For both participant groups and for both easy and hard secondary tasks, the curves that described the RT as a function of SNR were peak shaped. The RT increased as SNR changed from favorable to intermediate SNRs, and then decreased as SNRs moved from intermediate to unfavorable SNRs. The RT reached its peak (longest time) at the SNRs at which the participants could understand 30 to 50% of the speech. In experiments 1 and 2, the dual-task trials that had the same SNR were conducted in one block. To determine if the peak shape of the RT curves was specific to the blocked SNR presentation order used in these experiments, YNH participants were recruited (n = 25; experiment 3) and dual-task measures, wherein the SNR was varied from trial to trial (i.e., nonblocked), were conducted. The results indicated that, similar to the first two experiments, the RT curves had a peak shape. Secondary task performance was poorer at the intermediate SNRs than at the favorable and unfavorable SNRs. This pattern was observed for both YNH and older adults with hearing impairment participants and was not affected by either task type (easy or hard secondary task) or SNR presentation order (blocked or nonblocked). The shorter RT at the unfavorable SNRs (speech intelligibility < 30%) possibly reflects that the participants experienced cognitive overload and/or disengaged themselves from the listening task. The implication of using the dual-task paradigm as a listening effort measure is discussed.

Geomorphometric variability of "monogenetic" volcanic cones: Evidence from Mauna Kea, Lanzarote and experimental cones

NASA Astrophysics Data System (ADS)

Kervyn, M.; Ernst, G. G. J.; Carracedo, J.-C.; Jacobs, P.

2012-01-01

Volcanic cones are the most common volcanic constructs on Earth. Their shape can be quantified using two morphometric ratios: the crater/cone base ratio (W cr/W co) and the cone height/width ratio (H co/W co). The average values for these ratios obtained over entire cone fields have been explained by the repose angle of loose granular material (i.e. scoria) controlling cone slopes. The observed variability in these ratios between individual cones has been attributed to the effect of erosional processes or contrasting eruptive conditions on cone morphometry. Using a GIS-based approach, high spatial resolution Digital Elevation Models and airphotos, two new geomorphometry datasets for cone fields at Mauna Kea (Hawaii, USA) and Lanzarote (Canary Islands, Spain) are extracted and analyzed here. The key observation in these datasets is the great variability in morphometric ratios, even for simple-shape and well-preserved cones. Simple analog experiments are presented to analyze factors influencing the morphometric ratios. The formation of a crater is simulated within an analog cone (i.e. a sand pile) by opening a drainage conduit at the cone base. Results from experiments show that variability in the morphometric ratios can be attributed to variations in the width, height and horizontal offset of the drainage point relative to the cone symmetry axis, to the dip of the underlying slope or to the influence of a small proportion of fine cohesive material. GIS analysis and analog experiments, together with specific examples of cones documented in the field, suggest that the morphometric ratios for well-preserved volcanic cones are controlled by a combination of 1) the intrinsic cone material properties, 2) time-dependent eruption conditions, 3) the local setting, and 4) the method used to estimate the cone height. Implications for interpreting cone morphometry solely as either an age or as an eruption condition indicator are highlighted.

Design, Synthesis, and Evaluation of Dihydrobenzo[cd]indole-6-sulfonamide as TNF-α Inhibitors.

PubMed

Deng, Xiaobing; Zhang, Xiaoling; Tang, Bo; Liu, Hongbo; Shen, Qi; Liu, Ying; Lai, Luhua

2018-01-01

Tumor necrosis factor-α (TNF-α) plays a pivotal role in inflammatory response. Dysregulation of TNF can lead to a variety of disastrous pathological effects, including auto-inflammatory diseases. Antibodies that directly targeting TNF-α have been proven effective in suppressing symptoms of these disorders. Compared to protein drugs, small molecule drugs are normally orally available and less expensive. Till now, peptide and small molecule TNF-α inhibitors are still in the early stage of development, and much more efforts should be made. In a previously study, we reported a TNF-α inhibitor, EJMC-1 with modest activity. Here, we optimized this compound by shape screen and rational design. In the first round, we screened commercial compound library for EJMC-1 analogs based on shape similarity. Out of the 68 compounds tested, 20 compounds showed better binding affinity than EJMC-1 in the SPR competitive binding assay. These 20 compounds were tested in cell assay and the most potent compound was 2-oxo-N-phenyl-1,2-dihydrobenzo[ cd ]indole-6-sulfonamide ( S10 ) with an IC 50 of 14 μM, which was 2.2-fold stronger than EJMC-1 . Based on the docking analysis of S10 and EJMC-1 binding with TNF-α, in the second round, we designed S10 analogs, purchased seven of them, and synthesized seven new compounds. The best compound, 4e showed an IC 50 -value of 3 μM in cell assay, which was 14-fold stronger than EJMC-1 . 4e was among the most potent TNF-α organic compound inhibitors reported so far. Our study demonstrated that 2-oxo-N-phenyl-1,2-dihydrobenzo[ cd ]indole-6-sulfonamide analogs could be developed as potent TNF-α inhibitors. 4e can be further optimized for its activity and properties. Our study provides insights into designing small molecule inhibitors directly targeting TNF-α and for protein-protein interaction inhibitor design.

Distinct regions of the hippocampus are associated with memory for different spatial locations.

PubMed

Jeye, Brittany M; MacEvoy, Sean P; Karanian, Jessica M; Slotnick, Scott D

2018-05-15

In the present functional magnetic resonance imaging (fMRI) study, we aimed to evaluate whether distinct regions of the hippocampus were associated with spatial memory for items presented in different locations of the visual field. In Experiment 1, during the study phase, participants viewed abstract shapes in the left or right visual field while maintaining central fixation. At test, old shapes were presented at fixation and participants classified each shape as previously in the "left" or "right" visual field followed by an "unsure"-"sure"-"very sure" confidence rating. Accurate spatial memory for shapes in the left visual field was isolated by contrasting accurate versus inaccurate spatial location responses. This contrast produced one hippocampal activation in which the interaction between item type and accuracy was significant. The analogous contrast for right visual field shapes did not produce activity in the hippocampus; however, the contrast of high confidence versus low confidence right-hits produced one hippocampal activation in which the interaction between item type and confidence was significant. In Experiment 2, the same paradigm was used but shapes were presented in each quadrant of the visual field during the study phase. Accurate memory for shapes in each quadrant, exclusively masked by accurate memory for shapes in the other quadrants, produced a distinct activation in the hippocampus. A multi-voxel pattern analysis (MVPA) of hippocampal activity revealed a significant correlation between behavioral spatial location accuracy and hippocampal MVPA accuracy across participants. The findings of both experiments indicate that distinct hippocampal regions are associated with memory for different visual field locations. Copyright © 2018 Elsevier B.V. All rights reserved.

Discrete Dipole Approximation Models of Crystalline Forsterite: Applications to Cometary Crystalline Silicates

NASA Astrophysics Data System (ADS)

Lindsay, Sean; Wooden, D. H.; Woodward, C. E.; Harker, D. E.; Kelley, M. S.; Murphy, J. R.

2012-10-01

In cometary comae, the crystalline silicate forsterite (Mg2SiO4) is the dominant crystalline component. Within the 8 - 40 micron spectral range, the crystal shape has been demonstrated to have a measurable effect on the crystalline features’ shape and peak wavelength locations. We present discrete dipole approximation (DDA) absorption efficiencies for a variety of forsterite grain shapes to demonstrate: a) that the 10, 11, 19, 23, and 33.5 micron resonances are sensitive to grain shape; b) spectral trends are associated with variations in crystallographic axial ratios; and c) that groups of similar grain shapes (shape classes) have distinct spectral features. These computations are performed using DDSCAT v7.0 run on the NASA Advanced Supercomputing (NAS) facility Pleiades. We generate synthetic spectral energy distribution (SED) fits to the Infrared Space Observatory (ISO) SWS spectra for the coma of comet C/1995 O1 (Hale-Bopp) at a heliocentric distance of 2.8 AU. Hale-Bopp is best fit by equant grain shapes whereas rounded grain shapes fit significantly poorer than crystals with sharp edges with well-defined faces. Moreover, crystals that are not significantly elongated along a crystallographic axis fit better. By comparison with Kobatake et al. (2008) condensation experiments and Takigawa et al. (2009) evaporation experiments, our analyses suggest that the forsterite crystals in the coma of Hale-Bopp predominantly are high temperature condensates. The laboratory experiments show that grain shape and grain formation temperature, and hence disk environment, are causally linked. Specifically, the Kobatake et al. (2008) condensation experiment reveals three shape classes associated with temperature: 1) ‘Bulky’ grains (1300 K < T < 1700 K), 2) ‘Platy’ grains (1000 K < T < 1300 K), and 3) columnar/needle grains (T < 1000 K). We construct DDA grain shape analogs to these shape classes to connect grain shapes to distinguishable spectral signatures and crystal formation environments.

A study on the dependence of nuclear viscosity on temperature

NASA Astrophysics Data System (ADS)

Vardaci, E.; Di Nitto, A.; Nadtochy, P. N.; La Rana, G.; Cinausero, M.; Prete, G.; Gelli, N.; Ashaduzzaman, M.; Davide, F.; Pulcini, A.; Quero, D.; Kozulin, E. M.; Knyazheva, G. N.; Itkis, I. M.

2018-05-01

Nuclear viscosity is an irreplaceable ingredient of nuclear fission collective dynamical models. It drives the exchange of energy between the collective variables and the thermal bath of single particle degrees of freedom. Its dependence on the shape and temperature is a matter of controversy. By using systems of intermediate fissility we have demonstrated in a recent study that the viscosity parameters is larger for compact shapes, and decreases for larger deformations of the fissioning system, at variance with the conclusions of the statistical model modified to include empirically viscosity and time scales. In this contribution we propose an experimental scenario to highlight the possible dependence of the viscosity from the temperature.

Three-phase hypervelocity projectile launcher

DOEpatents

Fugelso, L. Erik; Langner, Gerald C.; Burns, Kerry L.; Albright, James N.

1994-01-01

A hypervelocity projectile launcher for use in perforating borehole casings provides improved penetration into the surrounding rock structure. The launcher includes a first cylinder of explosive material that defines an axial air-filled cavity, a second cylinder of explosive material defining an axial frustum-shaped cavity abutting and axially aligned with the first cylinder. A pliant washer is located between and axially aligned with the first and second cylinders. The frustum shaped cavity is lined with a metal liner effective to form a projectile when the first and second cylinders are detonated. The washer forms a unique intermediate projectile in advance of the liner projectile and enables the liner projectile to further penetrate into and fracture the adjacent rock structure.

Emergence and stability of intermediate open vesicles in disk-to-vesicle transitions.

PubMed

Li, Jianfeng; Zhang, Hongdong; Qiu, Feng; Shi, An-Chang

2013-07-01

The transition between two basic structures, a disk and an enclosed vesicle, of a finite membrane is studied by examining the minimum energy path (MEP) connecting these two states. The MEP is constructed using the string method applied to continuum elastic membrane models. The results reveal that, besides the commonly observed disk and vesicle, open vesicles (bowl-shaped vesicles or vesicles with a pore) can become stable or metastable shapes. The emergence, stability, and probability distribution of these open vesicles are analyzed. It is demonstrated that open vesicles can be stabilized by higher-order elastic energies. The estimated probability distribution of the different structures is in good agreement with available experiments.

Liquid-liquid reaction of hydrogen peroxide and sodium hypochlorite for the production of singlet oxygen in a centrifugal flow singlet oxygen generator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cui Rongrong; Deng Liezheng; Shi Wenbo

An attempt is made to produce gas-phase singlet oxygen O{sub 2}(a{sup 1{Delta}}{sub g}) in a liquid-liquid reaction between acidic hydrogen peroxide (AHP) and sodium hypochlorite (NaOCl). The attempt arises from the fact that basic hydrogen peroxide (BHP) has long been the prime source for producing singlet delta oxygen through its reaction with chlorine. However, BHP suffers from the defect of being unstable during storage. Exploratory experiments were performed in a centrifugal flow singlet oxygen generator (CF-SOG) with two streams of solutions, AHP and NaOCl, mixed in a slit nozzle and then injected into the arc-shaped concavity in the CF-SOG tomore » form a rotating liquid flow with a remarkable centrifugal force. With the help of this centrifugal force, the product of the O{sub 2}({sup 1{Delta}}) reaction was quickly separated from the liquid phase. The gas-phase O{sub 2}({sup 1{Delta}}) was detected via the spectrum of O{sub 2}({sup 1{Delta}}) cooperative dimolecular emission with a CCD spectrograph. Experimental results show that it is feasible to produce gas-phase O{sub 2}({sup 1{Delta}}) from the AHP + NaOCl reaction, and the stronger the acidity, the more efficient the O{sub 2}({sup 1{Delta}}) production. However, since in the AHP + NaOCl reaction, Cl{sub 2} unavoidably appears as a byproduct, its catalytic action on the decomposition of H{sub 2}O{sub 2} into ground-state O{sub 2} remains a major obstacle to utilising the AHP + NaOCl reaction in producing gas-phase O{sub 2}({sup 1{Delta}}). Qualitative interpretation shows that the AHP + NaOCl reaction is virtually the reaction of interaction of molecular H{sub 2}O{sub 2} with molecular HOCl, its mechanism being analogous to that of reaction of BHP with Cl{sub 2}, where HOOCl is the key intermediate. It is difficult to form the intermediate HOOCl via the H{sub 2}O{sub 2} + NaOCl reaction in a basic medium, thus gas-phase O{sub 2}({sup 1{Delta}}) cannot be obtained in appreciable quantities. (active media)« less

MaMBA - a functional Moon and Mars Base Analog

NASA Astrophysics Data System (ADS)

Heinicke, C.; Foing, B.

2017-09-01

Despite impressive progress in robotic exploration of celestial bodies, robots are believed to never reach the effectiveness and efficiency of a trained human. Consequently, ESA proposes to build an international Moon Village in roughly 15 years and NASA plans for the first manned mission to Mars shortly after. One of the challenges still remaining is the need for a shelter, a habitat which allows human spacefarers to safely live and work on the surface of a celestial body. Although a number of prototype habitats has been built during the last decades and inhabited for various durations (e.g. MDRS, FMARS, HI-SEAS, M.A.R.S.), these habitats are typically equipped for studies on human factors and would not function in an extraterrestrial environment. Project MaMBA (Moon and Mars Base Analog) aims to build the first functional habitat based on the lessons learned from intermediate and long duration missions at the mentioned habitats. The habitat will serve for testing technologies like life support, power systems, and interplanetary communi­cation. Special attention will be given to the develop­ment of the geoscience laboratory module. Crews will live and work inside the habitat to ensure its functionality.

Low-latency fiber-millimeter-wave system for future mobile fronthauling

NASA Astrophysics Data System (ADS)

Tien Dat, Pham; Kanno, Atsushi; Yamamoto, Naokatsu; Kawanishi, Tetsuya

2016-02-01

A seamless combination of fiber and millimeter-wave (MMW) systems can be very attractive for future heterogeneous mobile networks such as 5G because of its flexibility and high bandwidth. Analog mobile signal transmission over seamless fiber-MMW systems is very promising to reduce the latency and the required band-width, and to simplify the systems. However, stable and high-performance seamless systems are indispensable to conserve the quality of the analog signal transmission. In this paper, we present several technologies to develop such seamless fiber-MMW systems. In the downlink direction, a high-performance system can be realized using a high-quality optical MMW signal generator and a self-homodyne MMW signal detector. In the uplink direction, a cascade of radio-on-radio and radio-over-fiber systems using a burst-mode optical amplifier can support bursty radio signal transmission. A full-duplex transmission with negligible interference effects can be realized using frequency multiplexing in the radio link and wavelength-division multiplexing in the optical link. A high-spectral efficiency MMW-over-fiber system using an intermediate frequency-over-fiber system and a high-quality remote delivery of a local oscillator signal is highly desirable to reduce the costs.

Development of digital sideband separating down-conversion for Yuan-Tseh Lee Array

NASA Astrophysics Data System (ADS)

Li, Chao-Te; Kubo, Derek; Cheng, Jen-Chieh; Kuroda, John; Srinivasan, Ranjani; Ho, Solomon; Guzzino, Kim; Chen, Ming-Tang

2016-07-01

This report presents a down-conversion method involving digital sideband separation for the Yuan-Tseh Lee Array (YTLA) to double the processing bandwidth. The receiver consists of a MMIC HEMT LNA front end operating at a wavelength of 3 mm, and sub-harmonic mixers that output signals at intermediate frequencies (IFs) of 2-18 GHz. The sideband separation scheme involves an analog 90° hybrid followed by two mixers that provide down-conversion of the IF signal to a pair of in-phase (I) and quadrature (Q) signals in baseband. The I and Q baseband signals are digitized using 5 Giga sample per second (Gsps) analog-to-digital converters (ADCs). A second hybrid is digitally implemented using field-programmable gate arrays (FPGAs) to produce two sidebands, each with a bandwidth of 1.6 GHz. The 2 x 1.6 GHz band can be tuned to cover any 3.6 GHz window within the aforementioned IF range of the array. Sideband rejection ratios (SRRs) above 20 dB can be obtained across the 3.6 GHz bandwidth by equalizing the power and delay between the I and Q baseband signals. Furthermore, SRRs above 30 dB can be achieved when calibration is applied.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bolme, David S; Mikkilineni, Aravind K; Rose, Derek C

Analog computational circuits have been demonstrated to provide substantial improvements in power and speed relative to digital circuits, especially for applications requiring extreme parallelism but only modest precision. Deep machine learning is one such area and stands to benefit greatly from analog and mixed-signal implementations. However, even at modest precisions, offsets and non-linearity can degrade system performance. Furthermore, in all but the simplest systems, it is impossible to directly measure the intermediate outputs of all sub-circuits. The result is that circuit designers are unable to accurately evaluate the non-idealities of computational circuits in-situ and are therefore unable to fully utilizemore » measurement results to improve future designs. In this paper we present a technique to use deep learning frameworks to model physical systems. Recently developed libraries like TensorFlow make it possible to use back propagation to learn parameters in the context of modeling circuit behavior. Offsets and scaling errors can be discovered even for sub-circuits that are deeply embedded in a computational system and not directly observable. The learned parameters can be used to refine simulation methods or to identify appropriate compensation strategies. We demonstrate the framework using a mixed-signal convolution operator as an example circuit.« less

Transport on intermediate time scales in flows with cat's eye patterns

NASA Astrophysics Data System (ADS)

Pöschke, Patrick; Sokolov, Igor M.; Zaks, Michael A.; Nepomnyashchy, Alexander A.

2017-12-01

We consider the advection-diffusion transport of tracers in a one-parameter family of plane periodic flows where the patterns of streamlines feature regions of confined circulation in the shape of "cat's eyes," separated by meandering jets with ballistic motion inside them. By varying the parameter, we proceed from the regular two-dimensional lattice of eddies without jets to the sinusoidally modulated shear flow without eddies. When a weak thermal noise is added, i.e., at large Péclet numbers, several intermediate time scales arise, with qualitatively and quantitatively different transport properties: depending on the parameter of the flow, the initial position of a tracer, and the aging time, motion of the tracers ranges from subdiffusive to superballistic. We report on results of extensive numerical simulations of the mean-squared displacement for different initial conditions in ordinary and aged situations. These results are compared with a theory based on a Lévy walk that describes the intermediate-time ballistic regime and gives a reasonable description of the behavior for a certain class of initial conditions. The interplay of the walk process with internal circulation dynamics in the trapped state results at intermediate time scales in nonmonotonic characteristics of aging not captured by the Lévy walk model.

The Structural Basis of the Inhibition of Golgi α-Mannosidase II by Mannostatin A and the Role of the Thiomethyl Moiety in Ligand-Protein Interactions

PubMed Central

Kawatkar, Sameer P.; Kuntz, Douglas A; Woods, Robert J.; Rose, David R.; Boons, Geert-Jan

2008-01-01

The X-ray crystal structures of mannose trimming enzyme Drosophila Golgi α–mannosidase II (dGMII) complexed with the inhibitors mannostatin A (1) and an N-benzyl analog (2) have been determined. Molecular dynamics simulations and NMR studies have shown that the five-membered ring of mannostatin A is rather flexible occupying pseudo-rotational itineraries between 2T3 and 5E, and 2T3 and 4E. In the bound state, mannostatin A adopts a 2T1 twist envelope conformation, which is not significantly populated in solution. Possible conformations of the mannosyl oxacarbenium ion and an enzyme-linked intermediate have been compared to the conformation of mannostatin A in the co-crystal structure with dGMII. It has been found that mannostatin A best mimics the covalent linked mannosyl intermediate, which adopts a 1S5 skew boat conformation. The thiomethyl group, which is critical for high affinity, superimposes with the C-6 hydroxyl of the covalent linked intermediate. This functionality is able to make a number of additional polar and non-polar interactions increasing the affinity for dGMII. Furthermore, the X-ray structures show that the environment surrounding the thiomethyl group of 1 is remarkably similar to the arrangements around the methionine residues in the protein. Collectively, our studies contradict the long held view that potent inhibitors of glycosidases mimic an oxacarbenium ion like transition state. PMID:16787095

Rupturing the hemi-fission intermediate in membrane fission under tension: Reaction coordinates, kinetic pathways, and free-energy barriers

NASA Astrophysics Data System (ADS)

Zhang, Guojie; Müller, Marcus

2017-08-01

Membrane fission is a fundamental process in cells, involved inter alia in endocytosis, intracellular trafficking, and virus infection. Its underlying molecular mechanism, however, is only incompletely understood. Recently, experiments and computer simulation studies have revealed that dynamin-mediated membrane fission is a two-step process that proceeds via a metastable hemi-fission intermediate (or wormlike micelle) formed by dynamin's constriction. Importantly, this hemi-fission intermediate is remarkably metastable, i.e., its subsequent rupture that completes the fission process does not occur spontaneously but requires additional, external effects, e.g., dynamin's (unknown) conformational changes or membrane tension. Using simulations of a coarse-grained, implicit-solvent model of lipid membranes, we investigate the molecular mechanism of rupturing the hemi-fission intermediate, such as its pathway, the concomitant transition states, and barriers, as well as the role of membrane tension. The membrane tension is controlled by the chemical potential of the lipids, and the free-energy landscape as a function of two reaction coordinates is obtained by grand canonical Wang-Landau sampling. Our results show that, in the course of rupturing, the hemi-fission intermediate undergoes a "thinning → local pinching → rupture/fission" pathway, with a bottle-neck-shaped cylindrical micelle as a transition state. Although an increase of membrane tension facilitates the fission process by reducing the corresponding free-energy barrier, for biologically relevant tensions, the free-energy barriers still significantly exceed the thermal energy scale kBT.

Rupturing the hemi-fission intermediate in membrane fission under tension: Reaction coordinates, kinetic pathways, and free-energy barriers.

PubMed

Zhang, Guojie; Müller, Marcus

2017-08-14

Membrane fission is a fundamental process in cells, involved inter alia in endocytosis, intracellular trafficking, and virus infection. Its underlying molecular mechanism, however, is only incompletely understood. Recently, experiments and computer simulation studies have revealed that dynamin-mediated membrane fission is a two-step process that proceeds via a metastable hemi-fission intermediate (or wormlike micelle) formed by dynamin's constriction. Importantly, this hemi-fission intermediate is remarkably metastable, i.e., its subsequent rupture that completes the fission process does not occur spontaneously but requires additional, external effects, e.g., dynamin's (unknown) conformational changes or membrane tension. Using simulations of a coarse-grained, implicit-solvent model of lipid membranes, we investigate the molecular mechanism of rupturing the hemi-fission intermediate, such as its pathway, the concomitant transition states, and barriers, as well as the role of membrane tension. The membrane tension is controlled by the chemical potential of the lipids, and the free-energy landscape as a function of two reaction coordinates is obtained by grand canonical Wang-Landau sampling. Our results show that, in the course of rupturing, the hemi-fission intermediate undergoes a "thinning → local pinching → rupture/fission" pathway, with a bottle-neck-shaped cylindrical micelle as a transition state. Although an increase of membrane tension facilitates the fission process by reducing the corresponding free-energy barrier, for biologically relevant tensions, the free-energy barriers still significantly exceed the thermal energy scale k B T.

Long-Ranged Oppositely Charged Interactions for Designing New Types of Colloidal Clusters

NASA Astrophysics Data System (ADS)

Demirörs, Ahmet Faik; Stiefelhagen, Johan C. P.; Vissers, Teun; Smallenburg, Frank; Dijkstra, Marjolein; Imhof, Arnout; van Blaaderen, Alfons

2015-04-01

Getting control over the valency of colloids is not trivial and has been a long-desired goal for the colloidal domain. Typically, tuning the preferred number of neighbors for colloidal particles requires directional bonding, as in the case of patchy particles, which is difficult to realize experimentally. Here, we demonstrate a general method for creating the colloidal analogs of molecules and other new regular colloidal clusters without using patchiness or complex bonding schemes (e.g., DNA coating) by using a combination of long-ranged attractive and repulsive interactions between oppositely charged particles that also enable regular clusters of particles not all in close contact. We show that, due to the interplay between their attractions and repulsions, oppositely charged particles dispersed in an intermediate dielectric constant (4 <ɛ <10 ) provide a viable approach for the formation of binary colloidal clusters. Tuning the size ratio and interactions of the particles enables control of the type and shape of the resulting regular colloidal clusters. Finally, we present an example of clusters made up of negatively charged large and positively charged small satellite particles, for which the electrostatic properties and interactions can be changed with an electric field. It appears that for sufficiently strong fields the satellite particles can move over the surface of the host particles and polarize the clusters. For even stronger fields, the satellite particles can be completely pulled off, reversing the net charge on the cluster. With computer simulations, we investigate how charged particles distribute on an oppositely charged sphere to minimize their energy and compare the results with the solutions to the well-known Thomson problem. We also use the simulations to explore the dependence of such clusters on Debye screening length κ-1 and the ratio of charges on the particles, showing good agreement with experimental observations.

Structural changes at the metal ion binding site during the phosphoglucomutase reaction.

PubMed

Ray, W J; Post, C B; Liu, Y; Rhyu, G I

1993-01-12

An electron density map of the reactive, Cd2+ form of crystalline phosphoglucomutase from X-ray diffraction studies shows that the enzymic phosphate donates a nonbridging oxygen to the ligand sphere of the bound metal ion, which appears to be tetracoordinate. 31P and 113Cd NMR spectroscopy are used to assess changes in the properties of bound Cd2+ produced by substrate/product and by substrate/product analog inhibitors. The approximately 50 ppm downfield shift of the 113Cd resonance on formation of the complex of dephosphoenzyme and glucose 1,6-bisphosphate is associated with the initial sugar-phosphate binding step and likely involves a change in the geometry of the coordinating ligands. This interpretation is supported by spectral studies involving various complexes of the active Co2+ and Ni(2+)-enzyme. In addition, there is a loss of the 31P-113Cd J coupling that characterizes the monophosphate complexes of the Cd2+ enzyme either during or immediately after the PO3- transfer step that produces the bisphosphate complex, indicating a further change at the metal binding site. The implications of these observations with respect to the PO3- transfer process in the phosphoglucomutase reaction are considered. The apparent plasticity of the ligand sphere of the active site metal ion in this system may allow a single metal ion to act as a chaperone for a nonbridging oxygen during PO3- transfer or to allow a change in metal ion coordination during catalysis. A general NMR line shape/chemical-exchange analysis for evaluating binding in protein-ligand systems when exchange is intermediate to fast on the NMR time scale is described. Its application to the present system involves multiple exchange sites that depend on a single binding rate, thereby adding further constraints to the analysis.

Testing Electrostatic Complementarity in Enzyme Catalysis: Hydrogen Bonding in the Ketosteroid Isomerase Oxyanion Hole

PubMed Central

Kraut, Daniel A; Sigala, Paul A; Pybus, Brandon; Liu, Corey W; Ringe, Dagmar; Petsko, Gregory A

2006-01-01

A longstanding proposal in enzymology is that enzymes are electrostatically and geometrically complementary to the transition states of the reactions they catalyze and that this complementarity contributes to catalysis. Experimental evaluation of this contribution, however, has been difficult. We have systematically dissected the potential contribution to catalysis from electrostatic complementarity in ketosteroid isomerase. Phenolates, analogs of the transition state and reaction intermediate, bind and accept two hydrogen bonds in an active site oxyanion hole. The binding of substituted phenolates of constant molecular shape but increasing p K a models the charge accumulation in the oxyanion hole during the enzymatic reaction. As charge localization increases, the NMR chemical shifts of protons involved in oxyanion hole hydrogen bonds increase by 0.50–0.76 ppm/p K a unit, suggesting a bond shortening of ˜0.02 Å/p K a unit. Nevertheless, there is little change in binding affinity across a series of substituted phenolates (ΔΔG = −0.2 kcal/mol/p K a unit). The small effect of increased charge localization on affinity occurs despite the shortening of the hydrogen bonds and a large favorable change in binding enthalpy (ΔΔH = −2.0 kcal/mol/p K a unit). This shallow dependence of binding affinity suggests that electrostatic complementarity in the oxyanion hole makes at most a modest contribution to catalysis of ˜300-fold. We propose that geometrical complementarity between the oxyanion hole hydrogen-bond donors and the transition state oxyanion provides a significant catalytic contribution, and suggest that KSI, like other enzymes, achieves its catalytic prowess through a combination of modest contributions from several mechanisms rather than from a single dominant contribution. PMID:16602823

Sedimentary processes of the Bagnold Dunes: Implications for the eolian rock record of Mars.

PubMed

Ewing, R C; Lapotre, M G A; Lewis, K W; Day, M; Stein, N; Rubin, D M; Sullivan, R; Banham, S; Lamb, M P; Bridges, N T; Gupta, S; Fischer, W W

2017-12-01

The Mars Science Laboratory rover Curiosity visited two active wind-blown sand dunes within Gale crater, Mars, which provided the first ground-based opportunity to compare Martian and terrestrial eolian dune sedimentary processes and study a modern analog for the Martian eolian rock record. Orbital and rover images of these dunes reveal terrestrial-like and uniquely Martian processes. The presence of grainfall, grainflow, and impact ripples resembled terrestrial dunes. Impact ripples were present on all dune slopes and had a size and shape similar to their terrestrial counterpart. Grainfall and grainflow occurred on dune and large-ripple lee slopes. Lee slopes were ~29° where grainflows were present and ~33° where grainfall was present. These slopes are interpreted as the dynamic and static angles of repose, respectively. Grain size measured on an undisturbed impact ripple ranges between 50 μm and 350 μm with an intermediate axis mean size of 113 μm (median: 103 μm). Dissimilar to dune eolian processes on Earth, large, meter-scale ripples were present on all dune slopes. Large ripples had nearly symmetric to strongly asymmetric topographic profiles and heights ranging between 12 cm and 28 cm. The composite observations of the modern sedimentary processes highlight that the Martian eolian rock record is likely different from its terrestrial counterpart because of the large ripples, which are expected to engender a unique scale of cross stratification. More broadly, however, in the Bagnold Dune Field as on Earth, dune-field pattern dynamics and basin-scale boundary conditions will dictate the style and distribution of sedimentary processes.

A variable ULX and possible IMBH candidate in M51a

NASA Astrophysics Data System (ADS)

Earnshaw, Hannah M.; Roberts, Timothy P.; Heil, Lucy M.; Mezcua, Mar; Walton, Dominic J.; Done, Chris; Harrison, Fiona A.; Lansbury, George B.; Middleton, Matthew J.; Sutton, Andrew D.

2016-03-01

Ultraluminous X-ray source (ULX)-7, in the northern spiral arm of M51, demonstrates unusual behaviour for an ULX, with a hard X-ray spectrum but very high short-term variability. This suggests that it is not in a typical ultraluminous state. We analyse the source using archival data from XMM-Newton, Chandra and NuSTAR, and by examining optical and radio data from HST and Very Large Array. Our X-ray spectral analysis shows that the source has a hard power-law spectral shape with a photon index Γ ˜ 1.5, which persists despite the source's X-ray luminosity varying by over an order of magnitude. The power spectrum of the source features a break at 6.5^{+0.5}_{-1.1} × 10-3 Hz, from a low-frequency spectral index of α _1={-}0.1^{+0.5}_{-0.2} to a high-frequency spectral index of α _2=6.5^{+0.05}_{-0.14}, making it analogous to the low-frequency break found in the power spectra of low/hard state black holes (BHs). We can take a lower frequency limit for a corresponding high-frequency break to calculate a BH mass upper limit of 1.6 × 103 M⊙. Using the X-ray/radio Fundamental Plane, we calculate another upper limit to the BH mass of 3.5 × 104 M⊙ for a BH in the low/hard state. The hard spectrum, high rms variability and mass limits are consistent with ULX-7 being an intermediate-mass BH; however we cannot exclude other interpretations of this source's interesting behaviour, most notably a neutron star with an extreme accretion rate.

Sedimentary processes of the Bagnold Dunes: Implications for the eolian rock record of Mars

PubMed Central

Lapotre, M. G. A.; Lewis, K. W.; Day, M.; Stein, N.; Rubin, D. M.; Sullivan, R.; Banham, S.; Lamb, M. P.; Bridges, N. T.; Gupta, S.; Fischer, W. W.

2017-01-01

Abstract The Mars Science Laboratory rover Curiosity visited two active wind‐blown sand dunes within Gale crater, Mars, which provided the first ground‐based opportunity to compare Martian and terrestrial eolian dune sedimentary processes and study a modern analog for the Martian eolian rock record. Orbital and rover images of these dunes reveal terrestrial‐like and uniquely Martian processes. The presence of grainfall, grainflow, and impact ripples resembled terrestrial dunes. Impact ripples were present on all dune slopes and had a size and shape similar to their terrestrial counterpart. Grainfall and grainflow occurred on dune and large‐ripple lee slopes. Lee slopes were ~29° where grainflows were present and ~33° where grainfall was present. These slopes are interpreted as the dynamic and static angles of repose, respectively. Grain size measured on an undisturbed impact ripple ranges between 50 μm and 350 μm with an intermediate axis mean size of 113 μm (median: 103 μm). Dissimilar to dune eolian processes on Earth, large, meter‐scale ripples were present on all dune slopes. Large ripples had nearly symmetric to strongly asymmetric topographic profiles and heights ranging between 12 cm and 28 cm. The composite observations of the modern sedimentary processes highlight that the Martian eolian rock record is likely different from its terrestrial counterpart because of the large ripples, which are expected to engender a unique scale of cross stratification. More broadly, however, in the Bagnold Dune Field as on Earth, dune‐field pattern dynamics and basin‐scale boundary conditions will dictate the style and distribution of sedimentary processes. PMID:29497590

Figure-ground effects on shape memory for objects versus holes.

PubMed

Palmer, Stephen; Davis, Janet; Nelson, Rolf; Rock, Irvin

2008-01-01

The circumstances under which the shapes of figure-versus-ground regions are perceived and remembered were investigated in three experiments that replicate, extend, and clarify Rubin's [1921 Visuell wahrgenommene Figuren (Copenhagen: Gyldendals)] classic study on this topic. In experiment 1, observers reported which of two regions they perceived as figure within ambiguous, bipartite, 2-D displays. In a later shape-recognition test, the shapes of regions previously seen as figures were remembered well, but the shapes of regions previously seen as grounds were remembered no better than novel distractor regions. In experiment 2 we examined the same question about memory for the shape of figure-versus-ground regions in nested displays in which the central region could be perceived either as a closer figure surrounded by a farther ground (ie as a solid object) or as a farther ground surrounded by a closer figure (ie as an empty hole). Unlike experiment 1, the shapes of regions initially perceived as grounds (holes) were remembered as well as those of regions initially perceived as figures (solid objects), and much better than those of novel distractor regions. In experiment 3 we further demonstrated that this outcome did not depend on the figure-ground instructions employed in experiment 2, because the same result was obtained with unambiguous 3-D cardboard displays of objects versus holes with no figure ground instructions at all. The present findings support an account of hole perception in which the shape of an intrinsic hole is encoded as a shaped, immaterial (or virtual) surface where the absence of matter is coded by a functional 'missing' symbol (analogous to a minus sign in mathematics) to represent its non-material status.

Folding and Hydrodynamics of a DNA i-Motif from the c-MYC Promoter Determined by Fluorescent Cytidine Analogs

PubMed Central

Reilly, Samantha M.; Lyons, Daniel F.; Wingate, Sara E.; Wright, Robert T.; Correia, John J.; Jameson, David M.; Wadkins, Randy M.

2014-01-01

The four-stranded i-motif (iM) conformation of cytosine-rich DNA has importance to a wide variety of biochemical systems that range from their use in nanomaterials to potential roles in oncogene regulation. The iM structure is formed at slightly acidic pH, where hemiprotonation of cytosine results in a stable C-C+ basepair. Here, we performed fundamental studies to examine iM formation from a C-rich strand from the promoter of the human c-MYC gene. We used a number of biophysical techniques to characterize both the hydrodynamic properties and folding kinetics of a folded iM. Our hydrodynamic studies using fluorescence anisotropy decay and analytical ultracentrifugation show that the iM structure has a compact size in solution and displays the rigidity of a double strand. By studying the rates of circular dichroism spectral changes and quenching of fluorescent cytidine analogs, we also established a mechanism for the folding of a random coil oligo into the iM. In the course of determining this folding pathway, we established that the fluorescent dC analogs tC° and PdC can be used to monitor individual residues of an iM structure and to determine the pKa of an iM. We established that the C-C+ hydrogen bonding of certain bases initiates the folding of the iM structure. We also showed that substitutions in the loop regions of iMs give a distinctly different kinetic signature during folding compared with bases that are intercalated. Our data reveal that the iM passes through a distinct intermediate form between the unfolded and folded forms. Taken together, our results lay the foundation for using fluorescent dC analogs to follow structural changes during iM formation. Our technique may also be useful for examining folding and structural changes in more complex iMs. PMID:25296324

Adaptive Shape Functions and Internal Mesh Adaptation for Modelling Progressive Failure in Adhesively Bonded Joints

NASA Technical Reports Server (NTRS)

Stapleton, Scott; Gries, Thomas; Waas, Anthony M.; Pineda, Evan J.

2014-01-01

Enhanced finite elements are elements with an embedded analytical solution that can capture detailed local fields, enabling more efficient, mesh independent finite element analysis. The shape functions are determined based on the analytical model rather than prescribed. This method was applied to adhesively bonded joints to model joint behavior with one element through the thickness. This study demonstrates two methods of maintaining the fidelity of such elements during adhesive non-linearity and cracking without increasing the mesh needed for an accurate solution. The first method uses adaptive shape functions, where the shape functions are recalculated at each load step based on the softening of the adhesive. The second method is internal mesh adaption, where cracking of the adhesive within an element is captured by further discretizing the element internally to represent the partially cracked geometry. By keeping mesh adaptations within an element, a finer mesh can be used during the analysis without affecting the global finite element model mesh. Examples are shown which highlight when each method is most effective in reducing the number of elements needed to capture adhesive nonlinearity and cracking. These methods are validated against analogous finite element models utilizing cohesive zone elements.

Determination of vessel cross-sectional area by thresholding in Radon space

PubMed Central

Gao, Yu-Rong; Drew, Patrick J

2014-01-01

The cross-sectional area of a blood vessel determines its resistance, and thus is a regulator of local blood flow. However, the cross-sections of penetrating vessels in the cortex can be non-circular, and dilation and constriction can change the shape of the vessels. We show that observed vessel shape changes can introduce large errors in flux calculations when using a single diameter measurement. Because of these shape changes, typical diameter measurement approaches, such as the full-width at half-maximum (FWHM) that depend on a single diameter axis will generate erroneous results, especially when calculating flux. Here, we present an automated method—thresholding in Radon space (TiRS)—for determining the cross-sectional area of a convex object, such as a penetrating vessel observed with two-photon laser scanning microscopy (2PLSM). The thresholded image is transformed back to image space and contiguous pixels are segmented. The TiRS method is analogous to taking the FWHM across multiple axes and is more robust to noise and shape changes than FWHM and thresholding methods. We demonstrate the superior precision of the TiRS method with in vivo 2PLSM measurements of vessel diameter. PMID:24736890

The shape and motion of gas bubbles in a liquid flowing through a thin annulus

NASA Astrophysics Data System (ADS)

Lei, Qinghua; Xie, Zhihua; Pavlidis, Dimitrios; Salinas, Pablo; Veltin, Jeremy; Muggeridge, Ann; Pain, Christopher C.; Matar, Omar K.; Jackson, Matthew; Arland, Kristine; Gyllensten, Atle

2017-11-01

We study the shape and motion of gas bubbles in a liquid flowing through a horizontal or slightly-inclined thin annulus. Experimental data show that in the horizontal annulus, bubbles develop a unique ``tadpole'' shape with an elliptical cap and a highly-stretched tail, due to the confinement between the closely-spaced channel walls. As the annulus is inclined, the bubble tail tends to decrease in length, while the geometry of the cap remains almost invariant. To model the bubble evolution, the thin annulus is conceptualised as a ``Hele-Shaw'' cell in a curvilinear space. The three-dimensional flow within the cell is represented by a gap-averaged, two-dimensional model constrained by the same dimensionless quantities. The complex bubble dynamics are solved using a mixed control-volume finite-element method combined with interface-capturing and mesh adaptation techniques. A close match to the experimental data is achieved, both qualitatively and quantitatively, by the numerical simulations. The mechanism for the elliptical cap formation is interpreted based on an analogous irrotational flow field around a circular cylinder. The shape regimes of bubbles flowing through the thin annulus are further explored based on the simulation results. Funding from STATOIL gratefully acknowledged.

Implementing and Quantifying the Shape-Memory Effect of Single Polymeric Micro/Nanowires with an Atomic Force Microscope.

PubMed

Fang, Liang; Gould, Oliver E C; Lysyakova, Liudmila; Jiang, Yi; Sauter, Tilman; Frank, Oliver; Becker, Tino; Schossig, Michael; Kratz, Karl; Lendlein, Andreas

2018-04-23

The implementation of shape-memory effects (SME) in polymeric micro- or nano-objects currently relies on the application of indirect macroscopic manipulation techniques, for example, stretchable molds or phantoms, to ensembles of small objects. Here, we introduce a method capable of the controlled manipulation and SME quantification of individual micro- and nano-objects in analogy to macroscopic thermomechanical test procedures. An atomic force microscope was utilized to address individual electro-spun poly(ether urethane) (PEU) micro- or nanowires freely suspended between two micropillars on a micro-structured silicon substrate. In this way, programming strains of 10±1% or 21±1% were realized, which could be successfully fixed. An almost complete restoration of the original free-suspended shape during heating confirmed the excellent shape-memory performance of the PEU wires. Apparent recovery stresses of σ max,app =1.2±0.1 and 33.3±0.1 MPa were obtained for a single microwire and nanowire, respectively. The universal AFM test platform described here enables the implementation and quantification of a thermomechanically induced function for individual polymeric micro- and nanosystems. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Giant Cells of Escherichia coli

PubMed Central

Adler, Howard I.; Terry, Claude E.; Hardigree, Alice A.

1968-01-01

A mutant strain of Escherichia coli K-12 produced amorphous cells when grown in a variety of media. The lon− allele, known to increase the radiation sensitivity of the cytokinesis mechanism, was introduced into the mutant by means of conjugation. Cells of this recombinant strain grew, after exposure to radiation, into giant amorphous cells, approximately 500 to 1,000 times the volume of a normal E. coli cell. These giant cells are analogous to the filaments formed after the irradiation of lon− rod-shaped cells. Images PMID:4866096

The hydrodynamic role of fish squamosal integument as an analog of surfaces directly formed by turbulent flow. Report 1: Similarity between irregularities in squamosal integument and those on surfaces formed by river bed flow

NASA Technical Reports Server (NTRS)

Kudryashov, A. F.; Barsukov, V. V.

1980-01-01

The distribution of squamae on the fish body and that of the deposits in the bed of the river can be described by the same equation. The curves reflecting the relative elongation and stability of the body shape of the fish continue the curves showing the elongation of bank spit and stability of the bed of the river.

Drag reduction in nature

NASA Technical Reports Server (NTRS)

Bushnell, D. M.; Moore, K. J.

1991-01-01

Recent studies on the drag-reducing shapes, structures, and behaviors of swimming and flying animals are reviewed, with an emphasis on potential analogs in vehicle design. Consideration is given to form drag reduction (turbulent flow, vortex generation, mass transfer, and adaptations for body-intersection regions), skin-friction drag reduction (polymers, surfactants, and bubbles as surface 'additives'), reduction of the drag due to lift, drag-reduction studies on porpoises, and drag-reducing animal behavior (e.g., leaping out of the water by porpoises). The need for further research is stressed.

Digital pulse processing in Mössbauer spectroscopy

NASA Astrophysics Data System (ADS)

Veiga, A.; Grunfeld, C. M.

2014-04-01

In this work we present some advances towards full digitization of the detection subsystem of a Mössbauer transmission spectrometer. We show how, using adequate instrumentation, preamplifier output of a proportional counter can be digitized with no deterioration in spectrum quality, avoiding the need of a shaping amplifier. A pipelined architecture is proposed for a digital processor, which constitutes a versatile platform for the development of pulse processing techniques. Requirements for minimization of the analog processing are considered and experimental results are presented.

A "roller-wheel" Pt-containing small molecule that outperforms its polymer analogs in organic solar cells

DOE PAGES

He, Wenhan; Wu, Qin; Livshits, Maksim Y.; ...

2016-05-23

A novel Pt-bisacetylide small molecule (Pt-SM) featuring “roller-wheel” geometry was synthesized and characterized. When compared with conventional Pt-containing polymers and small molecules having “dumbbell” shaped structures, Pt-SM displays enhanced crystallinity and intermolecular π–π interactions, as well as favorable panchromatic absorption behaviors. Furthermore, organic solar cells (OSCs) employing Pt-SM achieve power conversion efficiencies (PCEs) up to 5.9%, the highest reported so far for Pt-containing polymers and small molecules.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lombigit, L., E-mail: lojius@nm.gov.my; Rahman, Nur Aira Abd; Mohamad, Glam Hadzir Patai

A radioisotope identifier device based on large volume Co-planar grid CZT detector is current under development at Malaysian Nuclear Agency. This device is planned to be used for in-situ identification of radioisotopes based on their unique energies. This work reports on electronics testing performed on the front-end electronics (FEE) analog section comprising charge sensitive preamplifier-pulse shaping amplifier chain. This test involves measurement of charge sensitivity, pulse parameters and electronics noise. This report also present some preliminary results on the spectral measurement obtained from gamma emitting radioisotopes.

A "roller-wheel" Pt-containing small molecule that outperforms its polymer analogs in organic solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

He, Wenhan; Wu, Qin; Livshits, Maksim Y.

A novel Pt-bisacetylide small molecule (Pt-SM) featuring “roller-wheel” geometry was synthesized and characterized. When compared with conventional Pt-containing polymers and small molecules having “dumbbell” shaped structures, Pt-SM displays enhanced crystallinity and intermolecular π–π interactions, as well as favorable panchromatic absorption behaviors. Furthermore, organic solar cells (OSCs) employing Pt-SM achieve power conversion efficiencies (PCEs) up to 5.9%, the highest reported so far for Pt-containing polymers and small molecules.

Trumpet mouthpiece manufacturing and tone quality.

PubMed

Zicari, Massimo; MacRitchie, Jennifer; Ghirlanda, Lorenzo; Vanchieri, Alberto; Montorfano, Davide; Barbato, Maurizio C; Soldini, Emiliano

2013-11-01

This article investigates the relationship between the shape of the mouthpiece and its acoustical properties in brass instruments. The hypothesis is that not only different volumes but also particular cup shapes affect the embouchure and the tone quality in both a physical and perceivable way. Three professional trumpet players were involved, and two different internal cup contours characterized by a "U" and a "V" shape with two types of throat junction (round and sharp) were chosen, based on a Vincent Bach 1 [1/2] C medium mouthpiece. A third intermediate contour was designed as a combination of these. Over 600 sound samples were produced under controlled conditions, the study involving four different stages: (1) Simulation of air-flow, (2) analysis of the sound spectra, (3) study of the players' subjective responses, and (4) perceptual analysis of their timbral differences. Results confirm the U shape is characterized by a stronger air recirculation and produces stronger spectral components above 8 kHz, compared to the V shape. A round throat junction may also be preferable to a sharp one in terms of playability. There is moderate agreement on the aural perception of these differences although the verbal attributes used to qualify these are not shared.

Thermal deformation of cryogenically cooled silicon crystals under intense X-ray beams: measurement and finite-element predictions of the surface shape

PubMed Central

Zhang, Lin; Sánchez del Río, Manuel; Monaco, Giulio; Detlefs, Carsten; Roth, Thomas; Chumakov, Aleksandr I.; Glatzel, Pieter

2013-01-01

X-ray crystal monochromators exposed to white-beam X-rays in third-generation synchrotron light sources are subject to thermal deformations that must be minimized using an adequate cooling system. A new approach was used to measure the crystal shape profile and slope of several cryogenically cooled (liquid nitrogen) silicon monochromators as a function of beam power in situ and under heat load. The method utilizes multiple angular scans across the Bragg peak (rocking curve) at various vertical positions of a narrow-gap slit downstream from the monochromator. When increasing the beam power, the surface of the liquid-nitrogen-cooled silicon crystal deforms from a concave shape at low heat load to a convex shape at high heat load, passing through an approximately flat shape at intermediate heat load. Finite-element analysis is used to calculate the crystal thermal deformations. The simulated crystal profiles and slopes are in excellent agreement with experiments. The parameters used in simulations, such as material properties, absorbed power distribution on the crystal and cooling boundary conditions, are described in detail as they are fundamental for obtaining accurate results. PMID:23765298

The role of intermediate filaments in maintaining integrity and function of intestinal epithelial cells after massive bowel resection in a rat.

PubMed

Sukhotnik, I; Shahar, Y Ben; Pollak, Y; Dorfman, T; Shefer, H Kreizman; Assi, Z E; Mor-Vaknin, N; Coran, A G

2018-02-01

Intermediate filaments (IFs) are a part of the cytoskeleton that extend throughout the cytoplasm of all cells and function in the maintenance of cell-shape by bearing tension and serving as structural components of the nuclear lamina. In normal intestine, IFs provide a tissue-specific three-dimensional scaffolding with unique context-dependent organizational features. The purpose of this study was to evaluate the role of IFs during intestinal adaptation in a rat model of short bowel syndrome (SBS). Male rats were divided into two groups: Sham rats underwent bowel transection and SBS rats underwent a 75% bowel resection. Parameters of intestinal adaptation, enterocyte proliferation and apoptosis were determined 2 weeks after operation. Illumina's Digital Gene Expression (DGE) analysis was used to determine the cytoskeleton-related gene expression profiling. IF-related genes and protein expression were determined using real-time PCR, Western blotting and immunohistochemistry. Massive small bowel resection resulted in a significant increase in enterocyte proliferation and concomitant increase in cell apoptosis. From the total number of 20,000 probes, 16 cytoskeleton-related genes were investigated. Between these genes, only myosin and tubulin levels were upregulated in SBS compared to sham animals. Between IF-related genes, desmin, vimentin and lamin levels were down-regulated and keratin and neurofilament remain unchanged. The levels of TGF-β, vimentin and desmin gene and protein were down-regulated in resected rats (vs sham animals). Two weeks following massive bowel resection in rats, the accelerated cell turnover was accompanied by a stimulated microfilaments and microtubules, and by inhibited intermediate filaments. Resistance to cell compression rather that maintenance of cell-shape by bearing tension are responsible for contraction, motility and postmitotic cell separation in a late stage of intestinal adaptation.

Application of power transistors to residential and intermediate rating photovoltaic array power conditioners

NASA Astrophysics Data System (ADS)

Steigerwald, R. L.; Ferraro, A.; Turnbull, F. G.

1983-04-01

Power conditioning systems that interface with photovoltaic arrays are presently investigated for the cases of 5-30 kW residential systems interfacing with a 240-V single-phase utility connection, and 30-200 kW intermediate systems interfacing with a 480-V three-phase utility connection. Both systems require an isolation transformer between the array and the utility interface. A tradeoff study is conducted for numerous transistor and thyristor circuits and configurations, with weighting criteria that include full- and part-load efficiency, size, weight, reliability, ease of control, injected harmonics, reactive power requirements, and parts cost. On the basis of study results, a 10-kW high frequency transistor inverter feeding a high frequency isolation transformer with a sinusoidally shaped current wave was selected.

Universal time-dependent dispersion properties for diffusion in a one-dimensional critically tilted potential

NASA Astrophysics Data System (ADS)

Guérin, T.; Dean, D. S.

2017-01-01

We consider the time-dependent dispersion properties of overdamped tracer particles diffusing in a one-dimensional periodic potential under the influence of an additional constant tilting force F . The system is studied in the region where the force is close to the critical value Fc at which the barriers separating neighboring potential wells disappear. We show that, when F crosses the critical value, the shape of the mean-square displacement (MSD) curves is strongly modified. We identify a diffusive regime at intermediate-time scales with an effective diffusion coefficient which is much larger than the late-time diffusion coefficient for F >Fc , whereas for F

Fatal cerebral coenurosis in a cat.

PubMed

Huss, B T; Miller, M A; Corwin, R M; Hoberg, E P; O'Brien, D P

1994-07-01

A 6-year-old cat that was laterally recumbent and panting was evaluated because of a 10-day history of progressive neurologic abnormalities. Despite aggressive treatment, the cat died on the day of admission. At necropsy, a 1.5-cm-diameter, fluid-filled cyst was found in the white matter of the left cerebrum. The cyst was identified as a coenurus of Taenia serialis, on the basis of the cyst wall, distribution of scolices, and the shape and dimensions of rostellar hooks. Scolices were found in varying stages of ontogeny, ranging from undifferentiated to nearly mature. Taenia serialis has a canid-lagomorph life cycle, with cats being accidental intermediate hosts. However, the potential exists for rare zoonotic transmission and subsequent serious disease in human beings and other accidental intermediate hosts.

A kinetic and thermodynamic framework for the Azoarcus group I ribozyme reaction

PubMed Central

Gleitsman, Kristin R.

2014-01-01

Determination of quantitative thermodynamic and kinetic frameworks for ribozymes derived from the Azoarcus group I intron and comparisons to their well-studied analogs from the Tetrahymena group I intron reveal similarities and differences between these RNAs. The guanosine (G) substrate binds to the Azoarcus and Tetrahymena ribozymes with similar equilibrium binding constants and similar very slow association rate constants. These and additional literature observations support a model in which the free ribozyme is not conformationally competent to bind G and in which the probability of assuming the binding-competent state is determined by tertiary interactions of peripheral elements. As proposed previously, the slow binding of guanosine may play a role in the specificity of group I intron self-splicing, and slow binding may be used analogously in other biological processes. The internal equilibrium between ribozyme-bound substrates and products is similar for these ribozymes, but the Azoarcus ribozyme does not display the coupling in the binding of substrates that is observed with the Tetrahymena ribozyme, suggesting that local preorganization of the active site and rearrangements within the active site upon substrate binding are different for these ribozymes. Our results also confirm the much greater tertiary binding energy of the 5′-splice site analog with the Azoarcus ribozyme, binding energy that presumably compensates for the fewer base-pairing interactions to allow the 5′-exon intermediate in self splicing to remain bound subsequent to 5′-exon cleavage and prior to exon ligation. Most generally, these frameworks provide a foundation for design and interpretation of experiments investigating fundamental properties of these and other structured RNAs. PMID:25246656

An Outflow-shaped Magnetic Field Toward the Class 0 Protostellar Source Serpens SMM1

NASA Astrophysics Data System (ADS)

Hull, Charles; Girart, Josep M.; Tychoniec, Lukasz; Rao, Ramprasad; Cortés, Paulo; Pokhrel, Riwaj; Zhang, Qizhou; Houde, Martin; Dunham, Michael; Kristensen, Lars; Lai, Shih-Ping; Li, Zhi-Yun; Plambeck, Richard

2018-01-01

The results from the polarization system at the Atacama Large Millimeter/submillimeter Array (ALMA) have begun both to expand and to confound our understanding of the role of the magnetic field in low-mass star formation. Here we show the highest resolution and highest sensitivity polarization images made to date toward the very young, intermediate-mass Class 0 protostellar source Serpens SMM1, the brightest source in the Serpens Main star-forming region. These ALMA observations achieve ~140 AU resolution, allowing us to probe dust polarization—and thus magnetic field orientation—in the innermost regions surrounding the protostar. By complementing these observations with polarization observations from the Submillimeter Array (SMA) and archival data from the Combined Array for Research in Millimeter-wave Astronomy (CARMA) and the James Clerk Maxwell Telescopes (JCMT), we can compare the magnetic field orientations at different spatial scales. We find major changes in the magnetic field orientation between large (~0.1 pc) scales—where the magnetic field is oriented E–W, perpendicular to the major axis of the dusty filament where SMM1 is embedded—and the intermediate and small scales probed by CARMA (~1000 au resolution), the SMA (~350 au resolution), and ALMA. The ALMA maps reveal that the redshifted lobe of the bipolar outflow is clearly shaping the magnetic field in SMM1 on the southeast side of the source. High-spatial-resolution continuum and spectral-line observations also reveal a tight (~130 au) protobinary system in SMM1-b, the eastern component of which is launching an extremely high-velocity, one-sided jet visible in both CO(2-1) and SiO(5-4); however, that jet does not appear to be shaping the magnetic field. These observations show that with the sensitivity and resolution of ALMA, we can now begin to understand the role that feedback (e.g., from protostellar outflows) plays in shaping the magnetic field in very young, star-forming sources like SMM1.

Transformation of cooperative free energies between ligation systems of hemoglobin: resolution of the carbon monoxide binding intermediates.

PubMed

Huang, Y; Ackers, G K

1996-01-23

A strategy has been developed for quantitatively "translating" the distributions of cooperative free energy between different oxygenation analogs of hemoglobin (Hb). The method was used to resolve the cooperative free energies of all eight carbon monoxide binding intermediates. These parameters of the FeCOHb system were determined by thermodynamic transformation of corresponding free energies obtained previously for all species of the Co/FeCO system, i.e., where cobalt-substituted hemes comprise the unligated sites [Speros, P. C., et al. (1991) Biochemistry 30, 7254-7262]. Using hybridized combinations of normal and cobalt-substituted Hb, ligation analog systems Co/FeX (X = CO, CN) were constructed and experimentally quantified. Energetics of cobalt-induced structural perturbation were determined for all species of both the "mixed metal" Co/Fe system and also the ligated Co/FeCN system. It was found that major energetic perturbations of the Co/Fe hybrid species originate from a pure cobalt substitution effect on the alpha subunits. These perturbations are transduced to the beta subunit within the same dimeric half-tetramer, resulting in alteration of the free energies for binding at the nonsubstituted (Fe) sites. Using the linkage strategy developed in this study along with the determined energetics of these couplings, the experimental assembly free energies for the Co/FeCO species were transformed into cooperative free energies of the 10 Fe/FeCO species. The resulting values were found to distribute according to predictions of a symmetry rule mechanism proposed previously [Ackers, G. K., et al. (1992) Science 255, 54-63]. Their distribution is consistent with accurate CO binding data of normal Hb [Perrella, M., et al. (1990b) Biophys. Chem. 37, 211-223] and also with accurate O2 binding data obtained under the same conditions [Chu, A. H., et al. (1984) Biochemistry 23, 604-617].

On the Involvement of Single-Bond Rotation in the Primary Photochemistry of Photoactive Yellow Protein

PubMed Central

Stahl, Andreas D.; Hospes, Marijke; Singhal, Kushagra; van Stokkum, Ivo; van Grondelle, Rienk; Groot, Marie Louise; Hellingwerf, Klaas J.

2011-01-01

Prior experimental observations, as well as theoretical considerations, have led to the proposal that C4-C7 single-bond rotation may play an important role in the primary photochemistry of photoactive yellow protein (PYP). We therefore synthesized an analog of this protein's 4-hydroxy-cinnamic acid chromophore, (5-hydroxy indan-(1E)-ylidene)acetic acid, in which rotation across the C4-C7 single bond has been locked with an ethane bridge, and we reconstituted the apo form of the wild-type protein and its R52A derivative with this chromophore analog. In PYP reconstituted with the rotation-locked chromophore, 1), absorption spectra of ground and intermediate states are slightly blue-shifted; 2), the quantum yield of photochemistry is ∼60% reduced; 3), the excited-state dynamics of the chromophore are accelerated; and 4), dynamics of the thermal recovery reaction of the protein are accelerated. A significant finding was that the yield of the transient ground-state intermediate in the early phase of the photocycle was considerably higher in the rotation-locked samples than in the corresponding samples reconstituted with p-coumaric acid. In contrast to theoretical predictions, the initial photocycle dynamics of PYP were observed to be not affected by the charge of the amino acid residue at position 52, which was varied by 1), varying the pH of the sample between 5 and 10; and 2), site-directed mutagenesis to construct R52A. These results imply that C4-C7 single-bond rotation in PYP is not an alternative to C7=C8 double-bond rotation, in case the nearby positive charge of R52 is absent, but rather facilitates, presumably with a compensatory movement, the physiological Z/E isomerization of the blue-light-absorbing chromophore. PMID:21889456

A conserved START domain coenzyme Q-binding polypeptide is required for efficient Q biosynthesis, respiratory electron transport, and antioxidant function in Saccharomyces cerevisiae.

PubMed

Allan, Christopher M; Hill, Shauna; Morvaridi, Susan; Saiki, Ryoichi; Johnson, Jarrett S; Liau, Wei-Siang; Hirano, Kathleen; Kawashima, Tadashi; Ji, Ziming; Loo, Joseph A; Shepherd, Jennifer N; Clarke, Catherine F

2013-04-01

Coenzyme Qn (ubiquinone or Qn) is a redox active lipid composed of a fully substituted benzoquinone ring and a polyisoprenoid tail of n isoprene units. Saccharomyces cerevisiae coq1-coq9 mutants have defects in Q biosynthesis, lack Q6, are respiratory defective, and sensitive to stress imposed by polyunsaturated fatty acids. The hallmark phenotype of the Q-less yeast coq mutants is that respiration in isolated mitochondria can be rescued by the addition of Q2, a soluble Q analog. Yeast coq10 mutants share each of these phenotypes, with the surprising exception that they continue to produce Q6. Structure determination of the Caulobacter crescentus Coq10 homolog (CC1736) revealed a steroidogenic acute regulatory protein-related lipid transfer (START) domain, a hydrophobic tunnel known to bind specific lipids in other START domain family members. Here we show that purified CC1736 binds Q2, Q3, Q10, or demethoxy-Q3 in an equimolar ratio, but fails to bind 3-farnesyl-4-hydroxybenzoic acid, a farnesylated analog of an early Q-intermediate. Over-expression of C. crescentus CC1736 or COQ8 restores respiratory electron transport and antioxidant function of Q6 in the yeast coq10 null mutant. Studies with stable isotope ring precursors of Q reveal that early Q-biosynthetic intermediates accumulate in the coq10 mutant and de novo Q-biosynthesis is less efficient than in the wild-type yeast or rescued coq10 mutant. The results suggest that the Coq10 polypeptide:Q (protein:ligand) complex may serve essential functions in facilitating de novo Q biosynthesis and in delivering newly synthesized Q to one or more complexes of the respiratory electron transport chain. Copyright © 2012 Elsevier B.V. All rights reserved.

Efficient Multi-Atlas Registration using an Intermediate Template Image

PubMed Central

Dewey, Blake E.; Carass, Aaron; Blitz, Ari M.; Prince, Jerry L.

2017-01-01

Multi-atlas label fusion is an accurate but time-consuming method of labeling the human brain. Using an intermediate image as a registration target can allow researchers to reduce time constraints by storing the deformations required of the atlas images. In this paper, we investigate the effect of registration through an intermediate template image on multi-atlas label fusion and propose a novel registration technique to counteract the negative effects of through-template registration. We show that overall computation time can be decreased dramatically with minimal impact on final label accuracy and time can be exchanged for improved results in a predictable manner. We see almost complete recovery of Dice similarity over a simple through-template registration using the corrected method and still maintain a 3–4 times speed increase. Further, we evaluate the effectiveness of this method on brains of patients with normal-pressure hydrocephalus, where abnormal brain shape presents labeling difficulties, specifically the ventricular labels. Our correction method creates substantially better ventricular labeling than traditional methods and maintains the speed increase seen in healthy subjects. PMID:28943702

Efficient multi-atlas registration using an intermediate template image

NASA Astrophysics Data System (ADS)

Dewey, Blake E.; Carass, Aaron; Blitz, Ari M.; Prince, Jerry L.

2017-03-01

Multi-atlas label fusion is an accurate but time-consuming method of labeling the human brain. Using an intermediate image as a registration target can allow researchers to reduce time constraints by storing the deformations required of the atlas images. In this paper, we investigate the effect of registration through an intermediate template image on multi-atlas label fusion and propose a novel registration technique to counteract the negative effects of through-template registration. We show that overall computation time can be decreased dramatically with minimal impact on final label accuracy and time can be exchanged for improved results in a predictable manner. We see almost complete recovery of Dice similarity over a simple through-template registration using the corrected method and still maintain a 3-4 times speed increase. Further, we evaluate the effectiveness of this method on brains of patients with normal-pressure hydrocephalus, where abnormal brain shape presents labeling difficulties, specifically the ventricular labels. Our correction method creates substantially better ventricular labeling than traditional methods and maintains the speed increase seen in healthy subjects.

TOPICAL REVIEW: Tetrathiapentalene-based organic conductors

NASA Astrophysics Data System (ADS)

Misaki, Yohji

2009-04-01

The synthesis, structure and properties of tetrathiapentalene-based (TTP) organic conductors are reviewed. Among various TTP-type donors, bis-fused tetrathiafulvalene, 2,5-bis(1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalene (BDT-TTP) and its derivatives afford many metallic radical cation salts stable down to low temperatures, regardless of the size and shape of the counter anions. Most BDT-TTP conductors have a β-type donor arrangement with almost uniform stacks. Introduction of appropriate substituents results in molecular packing that differs from the β-type. A vinylogous TTP, 2-(1,3-dithiol-2-ylidene)-5-(2-ethanediylidene-1,3-dithiole)-1,3,4,6-tetrathiapentalene (DTEDT) has yielded an organic superconductor (DTEDT)3Au(CN)2 as well as metallic radical cation salts, regardless of the counter anions. (Thio)pyran analogs of TTP, namely (T)PDT-TTP and its derivatives produce molecular conductors with novel molecular arrangements. A TTP analog with reduced π-electron system 2,5-bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene (BDA-TTP) has afforded several organic superconductors. Highly conducting molecular metals with unusual oxidation states (+1, +5/3 and neutral) have been developed on the basis of 2,5-bis(1,3-dithiol-2-ylidene)-1,3,4,6-tetrathiapentalene (BDT-TTP) derivatives and analogous metal derivatives M(dt)2 (M = Ni, Au).

Optical Analogies for Teaching Physics of X-rays and CAT Scans*

NASA Astrophysics Data System (ADS)

Kalita, Spartak; Zollman, D. A.

2006-12-01

Our Modern Miracle Medical Machines project is devoted to improving motivation and performance of pre-med students in their undergraduate Physics classes. Under its framework we designed some non-traditional hands-on lab activities involving optical analogies to teach the application of contemporary physics to medical imaging. On the basis of our previous research (primarily clinical interviews with the target student population) we created activities using semi-transparent Lego blocks as analogs for understanding the image reconstruction process in computerized axial tomography (CAT or CT). Teaching interviews have been conducted with pre-med and other health-related majors using these materials. Students had to determine the shape of an object constructed of Lego blocks and hidden within a closed box. This arrangement imitated an unknown entity within a part of the human body. Using LEDs (light-emitting diodes) and a photo detector the students attempted to learn the contents of the box. They also had access to another similar Lego arrangement which they were free to open. Interviewees successfully transferred knowledge from their science and math classes (as well as from other sources) while completing activities and expressed great interest in this endeavor. Improvements to the activities have been based on the students’ feedback. *Supported by the National Science Foundation under grant 04-2675

Design of Optimal Cyclers Using Solar Sails

DTIC Science & Technology

2002-12-01

more perturbations are desired in the dynamics model (in this case, more nodes should be used). Equinoctial elements provide a set of singularity...the time to complete the whole EME double rendezvous. Setting the intermediate destination at the Mars orbit and the final destination with Earth...it is necessary to know the relative orbital shapes and orientations of the departure and destination planets. The orbital elements of Earth and Mars

Mesoscale studies of ionic closed membranes with polyhedral geometries

DTIC Science & Technology

2016-07-25

assembled ionic amphiphiles.4 The most commonly observed polyhedral symmetry in self-organized homogeneous structures is the icosahedron, which has the...Possible buckled structures can be obtained considering components A, B with intermediate compositions f of the B component such that the stable shape...lines aids the faceting of the shell into a polyhedral structure often with three-fold vertices. Such vertices are joined together by sharp edges

Synthesis and hydration behavior of calcium zirconium aluminate (Ca{sub 7}ZrAl{sub 6}O{sub 18}) cement

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kang, Eun-Hee; Yoo, Jun-Sang; Kim, Bo-Hye

2014-02-15

Calcium zirconium aluminate (Ca{sub 7}ZrAl{sub 6}O{sub 18}) cements were prepared by solid state reaction and polymeric precursor methods, and their phase evolution, morphology, and hydration behavior were investigated. In polymeric precursor method, a nearly single phase Ca{sub 7}ZrAl{sub 6}O{sub 18} was obtained at relatively lower temperature (1200 °C) whereas in solid state reaction, a small amount of CaZrO{sub 3} coexisted with Ca{sub 7}ZrAl{sub 6}O{sub 18} even at higher temperature (1400 °C). Unexpectedly, Ca{sub 7}ZrAl{sub 6}O{sub 18} synthesized by polymeric precursor process was the large-sized and rough-shaped powder. The planetary ball milling was employed to control the particle size and shape.more » The hydration behavior of Ca{sub 7}ZrAl{sub 6}O{sub 18} was similar to that of Ca{sub 3}Al{sub 2}O{sub 6} (C3A), but the hydration products were Ca{sub 3}Al{sub 2}O{sub 6}·6H{sub 2}O (C3AH6) and several intermediate products. Thus, Zr (or ZrO{sub 2}) stabilized the intermediate hydration products of C3A.« less

[New record of a bat species from China, Megaderma spasma (Linnaeus, 1758)].

PubMed

Zhang, Li-Biao; Gong, Yan-Yan; Zhu, Guang-Jian; Hong, Ti-Yu; Zhao, Xu-Dong; Mao, Xiu-Guang

2010-06-01

One male bat was collected in a cave in Cuibi Hill (N: 21 degree 53', E: 101 degree 18', H: 683 m a.s.l.), Menglun Town, Mengla County, Yunnan Province, on November 26, 2006. This bat is of medium body size, with 60.7 mm forearm and 21.4 g body mass. Its ears are large ovals and joined medially to the forehead at about 15% of the height of inner margin. The tragus of each ear is slender and distinctly bifid. The noseleaf is simple, and the posterior noseleaf is oval with obtuse tip and convex sides, a significant longitudinal ridge laying middle, which connects to intermediate noseleaf at the base. Intermediate noseleaf presents triangle with a W-shaped tip. Frontal noseleaf is horseshoe shape and attached directly to the muzzle. The tail is absent, and the second finger of each wing has only one phalanx. There are no upper incisors, Pm3 and Pm3. The upper canine has an anterior and a large posterior basal cusps. This bat is identified as lesser false vampire, Megaderma spasma, which is a new record of China. Its external and craniodental measurements were presented and compared with those of M. lyra. The specimen is preserved in Guangdong Entomological Institute.

Synthesis of iron oxide nanorods via chemical scavenging and phase transformations of intermediates at ambient conditions

NASA Astrophysics Data System (ADS)

Deshmukh, Ruchi; Mehra, Anurag; Thaokar, Rochish

2017-01-01

Chemically induced shape transformations of isotropic seeds, comprised of iron oxyhydroxides and iron oxide borate into nanorods, is reported. Transient growth studies show that the nanorods are formed via phase transformation and aggregation of various metastable species. Addition of tetra- methyl-ammonium hydroxide (TMAH) to the in situ synthesized seeds ensures a typical reaction pathway that favors formation of magnetite (Fe 3 O 4) via the steps of chemical etching, phase transformation of intermediates, and crystal consolidation. Whereas, with addition of sodium hydroxide (NaOH), either magnetite (Fe 3 O 4) or a mixture of ( γ-Fe 2 O 3 + α-FeOOH) is obtained. The shape with both the additives is always that of nanorods. When the seeds treated with TMAH were aged in an ultrasonication bath, rods with almost twice the length and diameter (length = 2800 nm, diameter = 345 nm) are obtained as compared to the sample aged without ultrasonication (length = 1535 nm, diameter = 172 nm). The morphology of nanostructures depending upon other experimental conditions such as, aging the sample at 60 ∘C, seeds synthesized under ultrasonication/ stirring or externally added are also examined and discussed in detail. All the samples show high coercivity and strong ferromagnetic behavior at room temperature and should be promising candidates as ferro-fluids for various applications.

Comparative jet wake structure and swimming performance of salps.

PubMed

Sutherland, Kelly R; Madin, Laurence P

2010-09-01

Salps are barrel-shaped marine invertebrates that swim by jet propulsion. Morphological variations among species and life-cycle stages are accompanied by differences in swimming mode. The goal of this investigation was to compare propulsive jet wakes and swimming performance variables among morphologically distinct salp species (Pegea confoederata, Weelia (Salpa) cylindrica, Cyclosalpa sp.) and relate swimming patterns to ecological function. Using a combination of in situ dye visualization and particle image velocimetry (PIV) measurements, we describe properties of the jet wake and swimming performance variables including thrust, drag and propulsive efficiency. Locomotion by all species investigated was achieved via vortex ring propulsion. The slow-swimming P. confoederata produced the highest weight-specific thrust (T=53 N kg(-1)) and swam with the highest whole-cycle propulsive efficiency (eta(wc)=55%). The fast-swimming W. cylindrica had the most streamlined body shape but produced an intermediate weight-specific thrust (T=30 N kg(-1)) and swam with an intermediate whole-cycle propulsive efficiency (eta(wc)=52%). Weak swimming performance variables in the slow-swimming C. affinis, including the lowest weight-specific thrust (T=25 N kg(-1)) and lowest whole-cycle propulsive efficiency (eta(wc)=47%), may be compensated by low energetic requirements. Swimming performance variables are considered in the context of ecological roles and evolutionary relationships.

Description and proposed life cycle of Maritrema novaezealandensis n. sp. (Microphallidae) parasitic in red-billed gulls, Larus novaehollandiae scopulinus, from Otago Harbor, South Island, New Zealand.

PubMed

Martorelli, Sergio R; Fredensborg, Brian L; Mouritsen, Kim N; Poulin, Robert

2004-04-01

Maritrema novaezealandensis n. sp. is described from Otago Harbor, South Island, New Zealand, on the basis of adult specimens collected from the Red-billed gull, Larus novaehollandiae scopulinus, and excysted metacercariae obtained from crabs. It belongs to the "eroliae group" and differs from other related species mainly in the shape, size, and patterns of distributions of the spines on the cirrus, the shape of the metraterm, the presence of an unlobed ovary, and the complete ring of the vitelline follicles. Based on morphometric features of metacercariae and adult specimens, the trophic relationships among invertebrate and vertebrate hosts, experimental infections, and previous reports of species of Maritrema with similar transmission patterns, the life cycle of M. novaezealandensis n. sp. is described. A 3-host life cycle is proposed for this parasite. The first intermediate host is the mud snail, Zeacumantus subcarinatus, in which the cercarial stage is produced in sporocysts located within the gonad of the snail. At least 3 crab species (Hemigrapsus crenulatus, Macrophtalmus hirtipes, and Halicarcinus whitei) and several species of amphipods act as second intermediate hosts, with metacercariae encysted in the body cavity of the crustacean host. Finally, the definitive host, the gull, L. n. scopulinus, harbors the adult worms in its intestine.

Tailoring vibration mode shapes using topology optimization and functionally graded material concepts

NASA Astrophysics Data System (ADS)

Montealegre Rubio, Wilfredo; Paulino, Glaucio H.; Nelli Silva, Emilio Carlos

2011-02-01

Tailoring specified vibration modes is a requirement for designing piezoelectric devices aimed at dynamic-type applications. A technique for designing the shape of specified vibration modes is the topology optimization method (TOM) which finds an optimum material distribution inside a design domain to obtain a structure that vibrates according to specified eigenfrequencies and eigenmodes. Nevertheless, when the TOM is applied to dynamic problems, the well-known grayscale or intermediate material problem arises which can invalidate the post-processing of the optimal result. Thus, a more natural way for solving dynamic problems using TOM is to allow intermediate material values. This idea leads to the functionally graded material (FGM) concept. In fact, FGMs are materials whose properties and microstructure continuously change along a specific direction. Therefore, in this paper, an approach is presented for tailoring user-defined vibration modes, by applying the TOM and FGM concepts to design functionally graded piezoelectric transducers (FGPT) and non-piezoelectric structures (functionally graded structures—FGS) in order to achieve maximum and/or minimum vibration amplitudes at certain points of the structure, by simultaneously finding the topology and material gradation function. The optimization problem is solved by using sequential linear programming. Two-dimensional results are presented to illustrate the method.

Are Nonadiabatic Reaction Dynamics the Key to Novel Organosilicon Molecules? The Silicon (Si(3P))-Dimethylacetylene (C4H6(X1A1g)) System as a Case Study.

PubMed

Thomas, Aaron M; Dangi, Beni B; Yang, Tao; Kaiser, Ralf I; Lin, Lin; Chou, Tzu-Jung; Chang, Agnes H H

2018-06-06

The bimolecular gas phase reaction of ground-state silicon (Si; 3 P) with dimethylacetylene (C 4 H 6 ; X 1 A 1g ) was investigated under single collision conditions in a crossed molecular beams machine. Merged with electronic structure calculations, the data propose nonadiabatic reaction dynamics leading to the formation of singlet SiC 4 H 4 isomer(s) and molecular hydrogen (H 2 ) via indirect scattering dynamics along with intersystem crossing (ISC) from the triplet to the singlet surface. The reaction may lead to distinct energetically accessible singlet SiC 4 H 4 isomers ( 1 p8- 1 p24) in overall exoergic reaction(s) (-107 -20 +12 kJ mol -1 ). All feasible reaction products are either cyclic, carry carbene analogous silylene moieties, or carry C-Si-H or C-Si-C bonds that would require extensive isomerization from the initial collision complex(es) to the fragmenting singlet intermediate(s). The present study demonstrates the first successful crossed beams study of an exoergic reaction channel arising from bimolecular collisions of silicon, Si( 3 P), with a hydrocarbon molecule.

Biomechanics and energetics in aquatic and semiaquatic mammals: platypus to whale.

PubMed

Fish, F E

2000-01-01

A variety of mammalian lineages have secondarily invaded the water. To locomote and thermoregulate in the aqueous medium, mammals developed a range of morphological, physiological, and behavioral adaptations. A distinct difference in the suite of adaptations, which affects energetics, is apparent between semiaquatic and fully aquatic mammals. Semiaquatic mammals swim by paddling, which is inefficient compared to the use of oscillating hydrofoils of aquatic mammals. Semiaquatic mammals swim at the water surface and experience a greater resistive force augmented by wave drag than submerged aquatic mammals. A dense, nonwettable fur insulates semiaquatic mammals, whereas aquatic mammals use a layer of blubber. The fur, while providing insulation and positive buoyancy, incurs a high energy demand for maintenance and limits diving depth. Blubber contours the body to reduce drag, is an energy reserve, and suffers no loss in buoyancy with depth. Despite the high energetic costs of a semiaquatic existence, these animals represent modern analogs of evolutionary intermediates between ancestral terrestrial mammals and their fully aquatic descendants. It is these intermediate animals that indicate which potential selection factors and mechanical constraints may have directed the evolution of more derived aquatic forms.

Tectonic stresses in the lithosphere: constraints provided by the experimental deformation of rocks.

USGS Publications Warehouse

Kirby, S.H.

1980-01-01

The strengths of rocks clearly place an upper limit on the stress that can be sustained by the upper half of the lithosphere. Laboratory data on rock rheology are generally lacking at intermediate temperatures and pressures on the important rock types expected in the lithosphere, so a definitive accounting of the strength distribution with depth in the upper lithosphere is presently unattainable. Analogies are drawn between the fragmentary strength data on slicates at intermediate temperature and the more extensive experimental data on marble and limestone, and several tentative conclusions are drawn: First, brittle processes, such as faulting and cataclasis, are expected to control rock strength at low pressures and temperatures. The strengths associated with these brittle mechanisms increase rapidly with increasing effective pressure and are relatively insensitive to temperature and strain rate. Second, the transitions between brittle and ductile processes occur at critical values of the least principal stress sigma3. I suggest that the concept of the deformation mechanism map of Ashby (1972) be extended to brittle-ductile transitions by normalizing the applied differential stress sigma by sigma3, i.e., the transitions occur at critical values of sigma/sigma3. -from Author

High specific activity enantiomerically enriched juvenile hormones: synthesis and binding assay.

PubMed Central

Prestwich, G D; Wawrzeńczyk, C

1985-01-01

A stereoselective total synthesis of chiral juvenile hormone I is described that allows stoichiometric introduction of two tritium atoms in the final step. Both optical antipodes of the pivotal epoxy alcohol intermediate were prepared in 95% enantiomeric excess by the Sharpless epoxidation of a (Z)-allylic alcohol. Elaboration of the hydroxy-methyl group to a vinyl group followed by selective homogeneous tritiation affords optically active juvenile hormone I analogs at 58 Ci/mmol. Competitive binding of the labeled 10R, 11S and 10S,11R enantiomers with unlabeled enantiomers to the hemolymph binding protein of Manduca sexta larvae was determined by using a dextran-coated charcoal assay. The natural 10R,11S enantiomer has twice the relative binding affinity of the 10S,11R enantiomer. The availability of such high specific activity optically pure hormones will contribute substantially to the search for high-affinity receptors for juvenile hormones in the nuclei of cells. Moreover, the chiral 12-hydroxy-(10R,11S)-epoxy intermediate allows modification of juvenile hormone for solid-phase biochemical and radioimmunochemical work without altering either the biologically important carbomethoxy or epoxy recognition sites. PMID:3860862

Design of two-photon molecular tandem architectures for solar cells by ab initio theory

DOE PAGES

Ornso, Kristian B.; Garcia-Lastra, Juan M.; De La Torre, Gema; ...

2015-03-04

An extensive database of spectroscopic properties of molecules from ab initio calculations is used to design molecular complexes for use in tandem solar cells that convert two photons into a single electron–hole pair, thereby increasing the output voltage while covering a wider spectral range. Three different architectures are considered: the first two involve a complex consisting of two dye molecules with appropriately matched frontier orbitals, connected by a molecular diode. Optimized combinations of dye molecules are determined by taking advantage of our computational database of the structural and energetic properties of several thousand porphyrin dyes. The third design is amore » molecular analogy of the intermediate band solar cell, and involves a single dye molecule with strong intersystem crossing to ensure a long lifetime of the intermediate state. Based on the calculated energy levels and molecular orbitals, energy diagrams are presented for the individual steps in the operation of such tandem solar cells. We find that theoretical open circuit voltages of up to 1.8 V can be achieved using these tandem designs. Questions about the practical implementation of prototypical devices, such as the synthesis of the tandem molecules and potential loss mechanisms, are addressed.« less

Micro-electro-mechanical systems (MEMS) and agile lensing-based modules for communications, sensing and signal processing

NASA Astrophysics Data System (ADS)

Reza, Syed Azer

This dissertation proposes the use of the emerging Micro-Electro-Mechanical Systems (MEMS) and agile lensing optical device technologies to design novel and powerful signal conditioning and sensing modules for advanced applications in optical communications, physical parameter sensing and RF/optical signal processing. For example, these new module designs have experimentally demonstrated exceptional features such as stable loss broadband operations and high > 60 dB optical dynamic range signal filtering capabilities. The first part of the dissertation describes the design and demonstration of digital MEMS-based signal processing modules for communication systems and sensor networks using the TI DLP (Digital Light Processing) technology. Examples of such modules include optical power splitters, narrowband and broadband variable fiber optical attenuators, spectral shapers and filters. Compared to prior works, these all-digital designs have advantages of repeatability, accuracy, and reliability that are essential for advanced communications and sensor applications. The next part of the dissertation proposes, analyzes and demonstrates the use of analog opto-fluidic agile lensing technology for sensor networks and test and measurement systems. Novel optical module designs for distance sensing, liquid level sensing, three-dimensional object shape sensing and variable photonic delay lines are presented and experimentally demonstrated. Compared to prior art module designs, the proposed analog-mode modules have exceptional performances, particularly for extreme environments (e.g., caustic liquids) where the free-space agile beam-based sensor provide remote non-contact access for physical sensing operations. The dissertation also presents novel modules involving hybrid analog-digital photonic designs that make use of the different optical device technologies to deliver the best features of both analog and digital optical device operations and controls. Digital controls are achieved through the use of the digital MEMS technology and analog controls are realized by employing opto-fluidic agile lensing technology and acousto-optic technology. For example, variable fiber-optic attenuators and spectral filters are proposed using the hybrid design. Compared to prior art module designs, these hybrid designs provide a higher module dynamic range and increased resolution that are critical in various advanced system applications. In summary, the dissertation shows the added power of hybrid optical designs using both the digital and analog photonic signal processing versus just all-digital or all-analog module designs.

DNA sequence+shape kernel enables alignment-free modeling of transcription factor binding.

PubMed

Ma, Wenxiu; Yang, Lin; Rohs, Remo; Noble, William Stafford

2017-10-01

Transcription factors (TFs) bind to specific DNA sequence motifs. Several lines of evidence suggest that TF-DNA binding is mediated in part by properties of the local DNA shape: the width of the minor groove, the relative orientations of adjacent base pairs, etc. Several methods have been developed to jointly account for DNA sequence and shape properties in predicting TF binding affinity. However, a limitation of these methods is that they typically require a training set of aligned TF binding sites. We describe a sequence + shape kernel that leverages DNA sequence and shape information to better understand protein-DNA binding preference and affinity. This kernel extends an existing class of k-mer based sequence kernels, based on the recently described di-mismatch kernel. Using three in vitro benchmark datasets, derived from universal protein binding microarrays (uPBMs), genomic context PBMs (gcPBMs) and SELEX-seq data, we demonstrate that incorporating DNA shape information improves our ability to predict protein-DNA binding affinity. In particular, we observe that (i) the k-spectrum + shape model performs better than the classical k-spectrum kernel, particularly for small k values; (ii) the di-mismatch kernel performs better than the k-mer kernel, for larger k; and (iii) the di-mismatch + shape kernel performs better than the di-mismatch kernel for intermediate k values. The software is available at https://bitbucket.org/wenxiu/sequence-shape.git. rohs@usc.edu or william-noble@uw.edu. Supplementary data are available at Bioinformatics online. © The Author(s) 2017. Published by Oxford University Press.

Predicting kinetic nanocrystal shapes through multi-scale theory and simulation: Polyvinylpyrrolidone-mediated growth of Ag nanocrystals

NASA Astrophysics Data System (ADS)

Balankura, Tonnam; Qi, Xin; Zhou, Ya; Fichthorn, Kristen A.

2016-10-01

In the shape-controlled synthesis of colloidal Ag nanocrystals, structure-directing agents, particularly polyvinylpyrrolidone (PVP), are known to be a key additive in making nanostructures with well-defined shapes. Although many Ag nanocrystals have been successfully synthesized using PVP, the mechanism by which PVP actuates shape control remains elusive. Here, we present a multi-scale theoretical framework for kinetic Wulff shape predictions that accounts for the chemical environment, which we used to probe the kinetic influence of the adsorbed PVP film. Within this framework, we use umbrella-sampling molecular dynamics simulations to calculate the potential of mean force and diffusion coefficient profiles of Ag atom deposition onto Ag(100) and Ag(111) in ethylene glycol solution with surface-adsorbed PVP. We use these profiles to calculate the mean-first passage times and implement extensive Brownian dynamics simulations, which allows the kinetic effects to be quantitatively evaluated. Our results show that PVP films can regulate the flux of Ag atoms to be greater towards Ag(111) than Ag(100). PVP's preferential binding towards Ag(100) over Ag(111) gives PVP its flux-regulating capabilities through the lower free-energy barrier of Ag atoms to cross the lower-density PVP film on Ag(111) and enhanced Ag trapping by the extended PVP film on Ag(111). Under kinetic control, {100}-faceted nanocrystals will be formed when the Ag flux is greater towards Ag(111). The predicted kinetic Wulff shapes are in agreement with the analogous experimental system.

NASA Tech Briefs, May 2003

NASA Technical Reports Server (NTRS)

2003-01-01

Topics covered include: Using Diffusion Bonding in Making Piezoelectric Actuators; Wireless Temperature-Monitoring System; Analog Binaural Circuits for Detecting and Locating Leaks; Mirrors Containing Biomimetic Shape-Control Actuators; Surface-Micromachined Planar Arrays of Thermopiles; Cascade Back-Propagation Learning in Neural Networks; Perovskite Superlattices as Tunable Microwave Devices; Rollable Thin-Shell Nanolaminate Mirrors; Flight Tests of a Ministick Controller in an F/A-18 Airplane; Piezoelectrically Actuated Shutter for High Vacuum; Bio-Inspired Engineering of Exploration Systems; Microscope Cells Containing Multiple Micromachined Wells; Electrophoretic Deposition for Fabricating Microbatteries; Integrated Arrays of Ion-Sensitive Electrodes; Model of Fluidized Bed Containing Reacting Solids and Gases; Membrane Mirrors With Bimorph Shape Actuators; Using Fractional Clock-Period Delays in Telemetry Arraying; Developing Generic Software for Spacecraft Avionics; Numerical Study of Pyrolysis of Biomass in Fluidized Beds; and Assessment of Models of Chemically Reacting Granular Flows.

Relativistic stellar stability: Preferred-frame effects

NASA Technical Reports Server (NTRS)

Ni, W.

1973-01-01

Possible preferred-frame effects on stellar stability were examined and no new instabilities were found. In particular, it is shown that: (1) Although terms linear in the preferred-frame velocity w (time-odd terms, analogous to viscosity and energy generation) change the shapes of the normal modes, their symmetry properties prevent them from changing the characteristic frequencies. Thus, no new vibrational or secular instabilities can occur. (2) Terms quadratic in w do not change either the shapes of the normal modes or the characteristic frequencies for radial pulsations. Thus, they have no influence on radial stability. (3) Terms quadratic in w do change both the normal modes and the characteristic frequencies of nonradial pulsations; but in the limit of a neutral mode these changes vanish. Hence, there is no modification of the criterion for convective stability, i.e., the standard Schwarzschild criterion remains valid.

Spectroscopic characterization and O2 reactivity of the trinuclear Cu cluster of mutants of the multicopper oxidase Fet3p.

PubMed

Palmer, Amy E; Quintanar, Liliana; Severance, Scott; Wang, Tzu-Pin; Kosman, Daniel J; Solomon, Edward I

2002-05-21

Fet3p is a multicopper oxidase that uses four copper ions (one type 1, one type 2, and one type 3 binuclear site) to couple substrate oxidation to the reduction of O(2) to H(2)O. The type 1 Cu site shuttles electrons between the substrate and the type 2/type 3 Cu sites which form a trinuclear Cu cluster that is the active site for O(2) reduction. This study extends the spectroscopic and reactivity studies that have been conducted with type 1-substituted Hg (T1Hg) laccase to Fet3p and a mutant of Fet3p in which the trinuclear Cu cluster is perturbed. To examine the reaction between the trinuclear Cu cluster and O(2), the type 1 Cu Cys(484) was mutated to Ser, resulting in a type 1-depleted (T1D) form of the enzyme. Additional His to Gln mutations were made at the trinuclear cluster to further probe specific contributions to reactivity. One of these mutants (His(126)Gln) produces the first stable but perturbed trinuclear Cu cluster (T1DT3' Fet3p). Spectroscopic characterization (absorption, circular dichroism, magnetic circular dichroism, and electron paramagnetic resonance) of the resting trinuclear sites in T1D and T1DT3' Fet3p reveal that the His(126)Gln mutation changes the electronic structure of both the type 3 and type 2 Cu sites. The trinuclear clusters in T1D and T1DT3' Fet3p react with O(2) to produce peroxide intermediates analogous to that observed in T1Hg laccase. Spectroscopic data on the peroxide intermediates in the three forms provide further insight into the structure of this intermediate. In T1D Fet3p, the decay of this peroxide intermediate is pH-dependent, and the rate of decay is 10-fold higher at low pH. In T1DT3' Fet3p, the decay of the peroxide intermediate is pH-independent and is slow at all pH's. This change in the pH dependence provides new insight into the mechanism of intermediate decay involving reductive cleavage of the O-O bond.

Synthesizing genetic sequential logic circuit with clock pulse generator.

PubMed

Chuang, Chia-Hua; Lin, Chun-Liang

2014-05-28

Rhythmic clock widely occurs in biological systems which controls several aspects of cell physiology. For the different cell types, it is supplied with various rhythmic frequencies. How to synthesize a specific clock signal is a preliminary but a necessary step to further development of a biological computer in the future. This paper presents a genetic sequential logic circuit with a clock pulse generator based on a synthesized genetic oscillator, which generates a consecutive clock signal whose frequency is an inverse integer multiple to that of the genetic oscillator. An analogous electronic waveform-shaping circuit is constructed by a series of genetic buffers to shape logic high/low levels of an oscillation input in a basic sinusoidal cycle and generate a pulse-width-modulated (PWM) output with various duty cycles. By controlling the threshold level of the genetic buffer, a genetic clock pulse signal with its frequency consistent to the genetic oscillator is synthesized. A synchronous genetic counter circuit based on the topology of the digital sequential logic circuit is triggered by the clock pulse to synthesize the clock signal with an inverse multiple frequency to the genetic oscillator. The function acts like a frequency divider in electronic circuits which plays a key role in the sequential logic circuit with specific operational frequency. A cascaded genetic logic circuit generating clock pulse signals is proposed. Based on analogous implement of digital sequential logic circuits, genetic sequential logic circuits can be constructed by the proposed approach to generate various clock signals from an oscillation signal.

Low-lying structure and shape evolution in neutron-rich Se isotopes

NASA Astrophysics Data System (ADS)

Chen, S.; Doornenbal, P.; Obertelli, A.; Rodríguez, T. R.; Authelet, G.; Baba, H.; Calvet, D.; Château, F.; Corsi, A.; Delbart, A.; Gheller, J.-M.; Giganon, A.; Gillibert, A.; Lapoux, V.; Motobayashi, T.; Niikura, M.; Paul, N.; Roussé, J.-Y.; Sakurai, H.; Santamaria, C.; Steppenbeck, D.; Taniuchi, R.; Uesaka, T.; Ando, T.; Arici, T.; Blazhev, A.; Browne, F.; Bruce, A. M.; Caroll, R.; Chung, L. X.; Cortés, M. L.; Dewald, M.; Ding, B.; Flavigny, F.; Franchoo, S.; Górska, M.; Gottardo, A.; Jungclaus, A.; Lee, J.; Lettmann, M.; Linh, B. D.; Liu, J.; Liu, Z.; Lizarazo, C.; Momiyama, S.; Moschner, K.; Nagamine, S.; Nakatsuka, N.; Nita, C. R.; Nobs, C.; Olivier, L.; Orlandi, R.; Patel, Z.; Podolyak, Zs.; Rudigier, M.; Saito, T.; Shand, C.; Söderström, P.-A.; Stefan, I.; Vaquero, V.; Werner, V.; Wimmer, K.; Xu, Z.

2017-04-01

Neutron-rich 88,90,92,94Se isotopes were studied via in-beam γ -ray spectroscopy after nucleon removal reactions at intermediate energies at the Radioactive Isotope Beam Factory. Based on γ -γ coincidence analysis, low-lying excitation level schemes are proposed for these nuclei, including the 21+, 41+ states and 22+ states at remarkably low energies. The low-lying 22+ states, along with other features, indicate triaxiality in these nuclei. The experimental results are in good overall agreement with self-consistent beyond-mean-field calculations based on the Gogny D1S interaction, which suggests both triaxial degree of freedom and shape coexistence playing important roles in the description of intrinsic deformations in neutron-rich Se isotopes.

Alignment of Irregular Grains by Mechanical Torques

NASA Astrophysics Data System (ADS)

Hoang, Thiem; Cho, Jungyeon; Lazarian, A.

2018-01-01

We study the alignment of irregular dust grains by mechanical torques due to the drift of grains through the ambient gas. We first calculate mechanical alignment torques (MATs) resulting from specular reflection of gas atoms for seven irregular shapes: one shape of mirror symmetry, three highly irregular shapes (HIS), and three weakly irregular shapes (WIS). We find that the grain with mirror symmetry experiences negligible MATs due to its mirror-symmetry geometry. Three HIS can produce strong MATs, which exhibit some generic properties as radiative torques (RATs), while three WIS produce less efficient MATs. We then study grain alignment by MATs for the different angles between the drift velocity and the ambient magnetic field, for paramagnetic and superparamagnetic grains assuming efficient internal relaxation. We find that for HIS grains, MATs can align subsonically drifting grains in the same way as RATs, with low-J and high-J attractors. For supersonic drift, MATs can align grains with low-J and high-J attractors, analogous to RAT alignment by anisotropic radiation. We also show that the joint action of MATs and magnetic torques in grains with iron inclusions can lead to perfect MAT alignment. Our results point out the potential importance of MAT alignment for HIS grains predicted by the analytical model of Lazarian & Hoang, although more theoretical and observational studies are required due to uncertainty in the shape of interstellar grains. We outline astrophysical environments where MAT alignment is potentially important.

Electrostatics of Nanowire Radial p-n Heterojunctions

NASA Astrophysics Data System (ADS)

Borblik, Vitalii

2018-04-01

The electrostatics of a nanowire radial heterostructure p-n junction is considered theoretically. It is shown that when the radius of the core-shell interface decreases, depletion width of the core increases, but depletion width of the shell, on the contrary, decreases. This is the consequence of cylindrical symmetry of the structure. Thereby, the relative contribution from the constituent materials into performance characteristics of the devices, which use a heterostructure p-n junction, changes substantially. Values of the depletion widths in the heterostructure p-n junction prove to be intermediate between those in radial homostructure p-n junctions made of the constituent materials at the same doping levels. An analogous situation takes place for a barrier capacitance of the radial heterostructure p-n junction.

The electron is a catalyst

NASA Astrophysics Data System (ADS)

Studer, Armido; Curran, Dennis P.

2014-09-01

The electron is an efficient catalyst for conducting various types of radical cascade reaction that proceed by way of radical and radical ion intermediates. But because electrons are omnipresent, catalysis by electrons often passes unnoticed. In this Review, a simple analogy between acid/base catalysis and redox catalysis is presented. Conceptually, the electron is a catalyst in much the same way that a proton is a catalyst. The 'electron is a catalyst' paradigm unifies mechanistically an assortment of synthetic transformations that otherwise have little or no apparent relationship. Diverse radical cascades, including unimolecular radical substitution reactions (SRN1-type chemistry), base-promoted homolytic aromatic substitutions (BHAS), radical Heck-type reactions, radical cross-dehydrogenative couplings (CDC), direct arene trifluoromethylations and radical alkoxycarbonylations, can all be viewed as electron-catalysed reactions.

Pharmacology of the meglitinide analogs: new treatment options for type 2 diabetes mellitus.

PubMed

Malaisse, Willy J

2003-01-01

The expression meglitinide analogs was introduced in 1995 to cover new molecules proposed as non-sulfonylurea insulinotropic agents and displaying structural analogy with meglitinide, such as repaglinide, nateglinide, and mitiglinide. Meglitinide analogs display, as judged by conformation analysis, a U-shaped configuration similar to that of antihyperglycemic sulfonylureas such as glibenclamide (glyburide) and glimepiride. In rat pancreatic islets incubated in the presence of 7.0 mmol/L D-glucose, repaglinide and mitiglinide demonstrate comparable concentration-response relationships for stimulation of insulin release, with a threshold value < 10 nmol/L and a maximal secretory response at about 10 nmol/L. Several findings indicate that meglitinide analogs provoke the closing of adenosine triphosphate-sensitive potassium channels, with subsequent gating of voltage-sensitive calcium channels. The effects of meglitinide analogs upon the binding of [3H]glibenclamide to islet cells membranes reinforces this concept. At variance, however, with other meglitinide analogs, the ionic and secretory response to repaglinide (10 micromol/L) is not rapidly reversible in perifused rat islets. In experiments conducted in vivo in control and diabetic rats, repaglinide provokes a greater and more rapid increase in plasma insulin concentration and an earlier fall in glycemia than glibenclamide or glimepiride. Onset of effect is also more rapid and duration of effect shorter with nateglinide versus glibenclamide. In clinical studies, single or repeated daily administration of repaglinide increased plasma insulin concentration in a dose-dependent manner, with an incremental peak reached about 2 hours after repaglinide intake. Plasma concentrations of repaglinide are about 5.0 microg/L 2-2.5 hours after oral intake of the drug. Despite the slow reversibility of repaglinide action in vitro, this drug offers advantages over glibenclamide in terms of the possible occurrence of hypoglycemia if a meal is missed. In volunteers receiving a single oral dose of nateglinide (120mg) 10 minutes before a standardized 800 Kcal breakfast, the plasma insulin concentration was higher 5, 10, and 20 minutes after meal intake than when they received a single dose of repaglinide (0.5 or 2.0mg) or placebo 10 minutes before breakfast. Peak plasma concentrations of nateglinide were reached within 2 hours in most volunteers. Peak plasma concentrations of mitiglinide were reached 30 minutes after a single oral dose in a representative volunteer. Mitiglinide significantly suppressed meal-induced elevations in blood glucose concentrations in a study of patients with type 2 diabetes. In conclusion, two obvious differences among these meglitinide analogs should be underlined. First, on a molar basis, nateglinide is somewhat less potent than repaglinide or mitiglinide, as an insulinotropic agent. The maximal secretory responses evoked by these three meglitinide analogs are, however, identical to one another. Secondly, and as already mentioned, the functional effects of nateglinide and mitiglinide are more rapidly reversible than those of repaglinide, for instance in perifused rat islets. The meglitinide analogs offer the advantage over the long-acting antihyperglycemic sulfonylurea glibenclamide of minimizing the risk of undesirable hypoglycemia.

Terrestrial analog field investigations to enable science and exploration studies of impacts and volcanism on the Moon, NEAs, and moons of Mars (Invited)

NASA Astrophysics Data System (ADS)

Heldmann, J. L.; Colaprete, A.; Cohen, B. A.; Elphic, R. C.; Garry, W. B.; Hodges, K. V.; Hughes, S. S.; Kim, K. J.; Lim, D.; McKay, C. P.; Osinski, G. R.; Petro, N. E.; Sears, D. W.; Squyres, S. W.; Tornabene, L. L.

2013-12-01

Terrestrial analog studies are a critical component for furthering our understanding of geologic processes on the Moon, near-Earth asteroids (NEAs), and the moons of Mars. Carefully chosen analog sites provide a unique natural laboratory with high relevance to the associated science on these solar system target bodies. Volcanism and impact cratering are fundamental processes on the Moon, NEAs, and Phobos and Deimos. The terrestrial volcanic and impact records remain invaluable for our understanding of these processes throughout our solar system, since these are our primary source of firsthand knowledge on volcanic landform formation and modification as well as the three-dimensional structural and lithological character of impact craters. Regarding impact cratering, terrestrial fieldwork can help us to understand the origin and emplacement of impactites, the history of impact bombardment in the inner Solar System, the formation of complex impact craters, and the effects of shock on planetary materials. Volcanism is another dominant geologic process that has significantly shaped the surface of planetary bodies and many asteroids. Through terrestrial field investigations we can study the processes, geomorphic features and rock types related to fissure eruptions, volcanic constructs, lava tubes, flows and pyroclastic deposits. Also, terrestrial analog studies have the advantage of enabling simultaneous robotic and/or human exploration testing in a low cost, low risk, high fidelity environment to test technologies and concepts of operations for future missions to the target bodies. Of particular interest is the importance and role of robotic precursor missions prior to human operations for which there is little to no actual mission experience to draw upon. Also critical to understanding new worlds is sample return, and analog studies enable us to develop the appropriate procedures for collecting samples in a manner that will best achieve the science objectives.