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Sample records for dimensional directed acyclic

  1. PenPC: A Two-step Approach to Estimate the Skeletons of High Dimensional Directed Acyclic Graphs

    PubMed Central

    Ha, Min Jin; Sun, Wei; Xie, Jichun

    2015-01-01

    Summary Estimation of the skeleton of a directed acyclic graph (DAG) is of great importance for understanding the underlying DAG and causal e ects can be assessed from the skeleton when the DAG is not identifiable. We propose a novel method named PenPC to estimate the skeleton of a high-dimensional DAG by a two-step approach. We first estimate the non-zero entries of a concentration matrix using penalized regression, and then fix the difference between the concentration matrix and the skeleton by evaluating a set of conditional independence hypotheses. For high dimensional problems where the number of vertices p is in polynomial or exponential scale of sample size n, we study the asymptotic property of PenPC on two types of graphs: traditional random graphs where all the vertices have the same expected number of neighbors, and scale-free graphs where a few vertices may have a large number of neighbors. As illustrated by extensive simulations and applications on gene expression data of cancer patients, PenPC has higher sensitivity and specificity than the state-of-the-art method, the PC-stable algorithm. PMID:26406114

  2. Community detection in directed acyclic graphs

    NASA Astrophysics Data System (ADS)

    Speidel, Leo; Takaguchi, Taro; Masuda, Naoki

    2015-08-01

    Some temporal networks, most notably citation networks, are naturally represented as directed acyclic graphs (DAGs). To detect communities in DAGs, we propose a modularity for DAGs by defining an appropriate null model (i.e., randomized network) respecting the order of nodes. We implement a spectral method to approximately maximize the proposed modularity measure and test the method on citation networks and other DAGs. We find that the attained values of the modularity for DAGs are similar for partitions that we obtain by maximizing the proposed modularity (designed for DAGs), the modularity for undirected networks and that for general directed networks. In other words, if we neglect the order imposed on nodes (and the direction of links) in a given DAG and maximize the conventional modularity measure, the obtained partition is close to the optimal one in the sense of the modularity for DAGs. Contribution to the Topical Issue "Temporal Network Theory and Applications", edited by Petter Holme.

  3. [Application of directed acyclic graphs in control of confounding].

    PubMed

    Xiang, R; Dai, W J; Xiong, Y; Wu, X; Yang, Y F; Wang, L; Dai, Z H; Li, J; Liu, A Z

    2016-07-01

    Observational study is a method most commonly used in the etiology study of epidemiology, but confounders, always distort the true causality between exposure and outcome when local inferencing. In order to eliminate these confounding, the determining of variables which need to be adjusted become a key issue. Directed acyclic graph(DAG)could visualize complex causality, provide a simple and intuitive way to identify the confounding, and convert it into the finding of the minimal sufficient adjustment for the control of confounding. On the one hand, directed acyclic graph can choose less variables, which increase statistical efficiency of the analysis. On the other hand, it could help avoiding variables that is not measured or with missing values. In a word, the directed acyclic graph could facilitate the reveal of the real causality effectively.

  4. Graphical presentation of confounding in directed acyclic graphs.

    PubMed

    Suttorp, Marit M; Siegerink, Bob; Jager, Kitty J; Zoccali, Carmine; Dekker, Friedo W

    2015-09-01

    Since confounding obscures the real effect of the exposure, it is important to adequately address confounding for making valid causal inferences from observational data. Directed acyclic graphs (DAGs) are visual representations of causal assumptions that are increasingly used in modern epidemiology. They can help to identify the presence of confounding for the causal question at hand. This structured approach serves as a visual aid in the scientific discussion by making underlying relations explicit. This article explains the basic concepts of DAGs and provides examples in the field of nephrology with and without presence of confounding. Ultimately, these examples will show that DAGs can be preferable to the traditional methods to identify sources of confounding, especially in complex research questions.

  5. Estimation of Sparse Directed Acyclic Graphs for Multivariate Counts Data

    PubMed Central

    Han, Sung Won; Zhong, Hua

    2016-01-01

    Summary The next-generation sequencing data, called high throughput sequencing data, are recorded as count data, which is generally far from normal distribution. Under the assumption that the count data follow the Poisson log-normal distribution, this paper provides an L1-penalized likelihood framework and an efficient search algorithm to estimate the structure of sparse directed acyclic graphs (DAGs) for multivariate counts data. In searching for the solution, we use iterative optimization procedures to estimate the adjacency matrix and the variance matrix of the latent variables. The simulation result shows that our proposed method outperforms the approach which assumes multivariate normal distributions, and the log-transformation approach. It also shows that the proposed method outperforms the rank-based PC method under sparse network or hub network structures. As a real data example, we demonstrate the efficiency of the proposed method in estimating the gene regulatory networks of the ovarian cancer study. PMID:26849781

  6. Some acyclic analogues of nucleotides and their template-directed reactions

    NASA Technical Reports Server (NTRS)

    Tohidi, Mahrokh; Orgel, Leslie E.

    1989-01-01

    Bismonophosphoimidazolides of acyclic analogues of guanosine IV and adenosine V were synthesized. They undergo oligomerization in the presence of complementary polynucleotide templates. Details of their synthesis and their subsequent template- and nontemplate-directed reactions are described, and their possible relevance to the origin of life is discussed.

  7. Invited commentary: the perils of birth weight--a lesson from directed acyclic graphs.

    PubMed

    Wilcox, Allen J

    2006-12-01

    The strong association of birth weight with infant mortality is complicated by a paradoxical finding: Small babies in high-risk populations usually have lower risk than small babies in low-risk populations. In this issue of the Journal, Hernández-Díaz et al. (Am J Epidemiol 2006;164:1115-20) address this "birth weight paradox" using directed acyclic graphs (DAGs). They conclude that the paradox is the result of bias created by adjustment for a factor (birth weight) that is affected by the exposure of interest and at the same time shares causes with the outcome (mortality). While this bias has been discussed before, the DAGs presented by Hernández-Díaz et al. provide more firmly grounded criticism. The DAGs demonstrate (as do many other examples) that seemingly reasonable adjustments can distort epidemiologic results. In this commentary, the birth weight paradox is shown to be an illustration of Simpson's Paradox. It is possible for a factor to be protective within every stratum of a variable and yet be damaging overall. Questions remain as to the causal role of birth weight.

  8. A multiple testing method for hypotheses structured in a directed acyclic graph.

    PubMed

    Meijer, Rosa J; Goeman, Jelle J

    2015-01-01

    We present a novel multiple testing method for testing null hypotheses that are structured in a directed acyclic graph (DAG). The method is a top-down method that strongly controls the familywise error rate and can be seen as a generalization of Meinshausen's procedure for tree-structured hypotheses. Just as Meinshausen's procedure, our proposed method can be used to test for variable importance, only the corresponding variable clusters can be chosen more freely, because the method allows for multiple parent nodes and partially overlapping hypotheses. An important application of our method is in gene set analysis, in which one often wants to test multiple gene sets as well as individual genes for their association with a clinical outcome. By considering the genes and gene sets as nodes in a DAG, our method enables us to test both for significant gene sets as well as for significant individual genes within the same multiple testing procedure. The method will be illustrated by testing Gene Ontology terms for evidence of differential expression in a survival setting and is implemented in the R package cherry.

  9. Robust causal inference using directed acyclic graphs: the R package 'dagitty'.

    PubMed

    Textor, Johannes; van der Zander, Benito; Gilthorpe, Mark S; Liśkiewicz, Maciej; Ellison, George T H

    2017-01-15

    Directed acyclic graphs (DAGs), which offer systematic representations of causal relationships, have become an established framework for the analysis of causal inference in epidemiology, often being used to determine covariate adjustment sets for minimizing confounding bias. DAGitty is a popular web application for drawing and analysing DAGs. Here we introduce the R package 'dagitty', which provides access to all of the capabilities of the DAGitty web application within the R platform for statistical computing, and also offers several new functions. We describe how the R package 'dagitty' can be used to: evaluate whether a DAG is consistent with the dataset it is intended to represent; enumerate 'statistically equivalent' but causally different DAGs; and identify exposure-outcome adjustment sets that are valid for causally different but statistically equivalent DAGs. This functionality enables epidemiologists to detect causal misspecifications in DAGs and make robust inferences that remain valid for a range of different DAGs. The R package 'dagitty' is available through the comprehensive R archive network (CRAN) at [https://cran.r-project.org/web/packages/dagitty/]. The source code is available on github at [https://github.com/jtextor/dagitty]. The web application 'DAGitty' is free software, licensed under the GNU general public licence (GPL) version 2 and is available at [http://dagitty.net/].

  10. "Toward a clearer definition of confounding" revisited with directed acyclic graphs.

    PubMed

    Howards, Penelope P; Schisterman, Enrique F; Poole, Charles; Kaufman, Jay S; Weinberg, Clarice R

    2012-09-15

    In a 1993 paper (Am J Epidemiol. 1993;137(1):1-8), Weinberg considered whether a variable that is associated with the outcome and is affected by exposure but is not an intermediate variable between exposure and outcome should be considered a confounder in etiologic studies. As an example, she examined the common practice of adjusting for history of spontaneous abortion when estimating the effect of an exposure on the risk of spontaneous abortion. She showed algebraically that such an adjustment could substantially bias the results even though history of spontaneous abortion would meet some definitions of a confounder. Directed acyclic graphs (DAGs) were introduced into epidemiology several years later as a tool with which to identify confounders. The authors now revisit Weinberg's paper using DAGs to represent scenarios that arise from her original assumptions. DAG theory is consistent with Weinberg's finding that adjusting for history of spontaneous abortion introduces bias in her original scenario. In the authors' examples, treating history of spontaneous abortion as a confounder introduces bias if it is a descendant of the exposure and is associated with the outcome conditional on exposure or is a child of a collider on a relevant undirected path. Thoughtful DAG analyses require clear research questions but are easily modified for examining different causal assumptions that may affect confounder assessment.

  11. Wavelet Entropy and Directed Acyclic Graph Support Vector Machine for Detection of Patients with Unilateral Hearing Loss in MRI Scanning

    PubMed Central

    Wang, Shuihua; Yang, Ming; Du, Sidan; Yang, Jiquan; Liu, Bin; Gorriz, Juan M.; Ramírez, Javier; Yuan, Ti-Fei; Zhang, Yudong

    2016-01-01

    Highlights We develop computer-aided diagnosis system for unilateral hearing loss detection in structural magnetic resonance imaging.Wavelet entropy is introduced to extract image global features from brain images. Directed acyclic graph is employed to endow support vector machine an ability to handle multi-class problems.The developed computer-aided diagnosis system achieves an overall accuracy of 95.1% for this three-class problem of differentiating left-sided and right-sided hearing loss from healthy controls. Aim: Sensorineural hearing loss (SNHL) is correlated to many neurodegenerative disease. Now more and more computer vision based methods are using to detect it in an automatic way. Materials: We have in total 49 subjects, scanned by 3.0T MRI (Siemens Medical Solutions, Erlangen, Germany). The subjects contain 14 patients with right-sided hearing loss (RHL), 15 patients with left-sided hearing loss (LHL), and 20 healthy controls (HC). Method: We treat this as a three-class classification problem: RHL, LHL, and HC. Wavelet entropy (WE) was selected from the magnetic resonance images of each subjects, and then submitted to a directed acyclic graph support vector machine (DAG-SVM). Results: The 10 repetition results of 10-fold cross validation shows 3-level decomposition will yield an overall accuracy of 95.10% for this three-class classification problem, higher than feedforward neural network, decision tree, and naive Bayesian classifier. Conclusions: This computer-aided diagnosis system is promising. We hope this study can attract more computer vision method for detecting hearing loss. PMID:27807415

  12. Wavelet Entropy and Directed Acyclic Graph Support Vector Machine for Detection of Patients with Unilateral Hearing Loss in MRI Scanning.

    PubMed

    Wang, Shuihua; Yang, Ming; Du, Sidan; Yang, Jiquan; Liu, Bin; Gorriz, Juan M; Ramírez, Javier; Yuan, Ti-Fei; Zhang, Yudong

    2016-01-01

    Highlights We develop computer-aided diagnosis system for unilateral hearing loss detection in structural magnetic resonance imaging.Wavelet entropy is introduced to extract image global features from brain images. Directed acyclic graph is employed to endow support vector machine an ability to handle multi-class problems.The developed computer-aided diagnosis system achieves an overall accuracy of 95.1% for this three-class problem of differentiating left-sided and right-sided hearing loss from healthy controls. Aim: Sensorineural hearing loss (SNHL) is correlated to many neurodegenerative disease. Now more and more computer vision based methods are using to detect it in an automatic way. Materials: We have in total 49 subjects, scanned by 3.0T MRI (Siemens Medical Solutions, Erlangen, Germany). The subjects contain 14 patients with right-sided hearing loss (RHL), 15 patients with left-sided hearing loss (LHL), and 20 healthy controls (HC). Method: We treat this as a three-class classification problem: RHL, LHL, and HC. Wavelet entropy (WE) was selected from the magnetic resonance images of each subjects, and then submitted to a directed acyclic graph support vector machine (DAG-SVM). Results: The 10 repetition results of 10-fold cross validation shows 3-level decomposition will yield an overall accuracy of 95.10% for this three-class classification problem, higher than feedforward neural network, decision tree, and naive Bayesian classifier. Conclusions: This computer-aided diagnosis system is promising. We hope this study can attract more computer vision method for detecting hearing loss.

  13. Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition

    DOE PAGES

    Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; ...

    2014-12-05

    The synthesis and anion binding properties of novel halogen-bonding (XB) bis-iodotriazole-pyridinium-containing acyclic and [2]catenane anion host systems are described. The XB acyclic receptor displays selectivity for acetate over halides with enhanced anion recognition properties compared to the analogous hydrogen-bonding (HB) acyclic receptor. A reversal in halide selectivity is observed in the XB [2]catenane, in comparison to the acyclic XB receptor, due to the interlocked host’s unique three-dimensional binding cavity, and no binding is observed for oxoanions. Notable halide anion association constant values determined for the [2]catenane in competitive organic–aqueous solvent mixtures demonstrate considerable enhancement of anion recognition as compared tomore » the HB catenane analogue. X-ray crystallographic analysis of a series of halide catenane complexes reveal strong XB interactions in the solid state. These interactions were studied using Cl and Br K-edge X-ray Absorption Spectroscopy (XAS) indicating intense pre-edge features characteristic of charge transfer from the halide to its bonding partner (σAX←X–* ← X1s), and providing a direct measure of the degree of covalency in the halogen bond(s). Lastly, the data reveal that the degree of covalency is similar to that which is observed in transition metal coordinate covalent bonds. These results are supported by DFT results, which correlate well with the experimental data.« less

  14. Evidence for halogen bond covalency in acyclic and interlocked halogen-bonding receptor anion recognition

    SciTech Connect

    Robinson, Sean W.; Mustoe, Chantal L.; White, Nicholas G.; Brown, Asha; Thompson, Amber L.; Kennepohl, Pierre; Beer, Paul D.

    2014-12-05

    The synthesis and anion binding properties of novel halogen-bonding (XB) bis-iodotriazole-pyridinium-containing acyclic and [2]catenane anion host systems are described. The XB acyclic receptor displays selectivity for acetate over halides with enhanced anion recognition properties compared to the analogous hydrogen-bonding (HB) acyclic receptor. A reversal in halide selectivity is observed in the XB [2]catenane, in comparison to the acyclic XB receptor, due to the interlocked host’s unique three-dimensional binding cavity, and no binding is observed for oxoanions. Notable halide anion association constant values determined for the [2]catenane in competitive organic–aqueous solvent mixtures demonstrate considerable enhancement of anion recognition as compared to the HB catenane analogue. X-ray crystallographic analysis of a series of halide catenane complexes reveal strong XB interactions in the solid state. These interactions were studied using Cl and Br K-edge X-ray Absorption Spectroscopy (XAS) indicating intense pre-edge features characteristic of charge transfer from the halide to its bonding partner (σAX←X–* ← X1s), and providing a direct measure of the degree of covalency in the halogen bond(s). Lastly, the data reveal that the degree of covalency is similar to that which is observed in transition metal coordinate covalent bonds. These results are supported by DFT results, which correlate well with the experimental data.

  15. Cooperative two-dimensional directed transport

    NASA Astrophysics Data System (ADS)

    Zheng, Zhigang; Chen, Hongbin

    2010-11-01

    A mechanism for the cooperative directed transport in two-dimensional ratchet potentials is proposed. With the aid of mutual couplings among particles, coordinated unidirectional motion along the ratchet direction can be achieved by transforming the energy from the transversal rocking force (periodic or stochastic) to the work in the longitude direction. Analytical predictions on the relation between the current and other parameters for the ac-driven cases are given, which are in good agreement with numerical simulations. Stochastic driving forces can give rise to the resonant directional transport. The effect of the free length, which has been explored in experiments on the motility of bipedal molecular motors, is investigated for both the single- and double-channel cases. The mechanism and results proposed in this letter may both shed light on the collective locomotion of molecular motors and open ways on studies in two-dimensional collaborative ratchet dynamics.

  16. Gas recirculator for acyclic machines

    NASA Astrophysics Data System (ADS)

    Balsa, T. F.

    1985-05-01

    The present invention relates to acyclic machines of the type using liquid metal collectors, and more particularly to an improvement for retaining the liquid metal in such machines. Radial type acyclic motors and generators generally include a metallic disk rotor rotating on a shaft between electromagnetic stator poles excited by field coils wound concentric with the shaft. Instead of solid brush, current collectors at the rotor periphery, liquid metal collectors are sometimes used to close the electrical current loop between the shaft and the rotor, and an inert pressurized cover gas fills the gaps between the rotating components and the stationary housing. A cover has recirculator in an acyclic generator having liquid metal collectors for reducing entrainment of the liquid metal in the gas. Radial passages in the stator housing provide natural recirculating paths for the cover gas to flow radially outward along the sides of the rotor and return inwardly through the passages. Scoops or lips located inward of the liquid metal collector divert the outward gas flow into the passages to minimize contact of the gas with the liquid metal.

  17. Cardioleader use in acyclic types of sports

    NASA Technical Reports Server (NTRS)

    Bondin, V. I.

    1980-01-01

    The use of the cardioleader method in regulating training loads and tests for athletes in acyclic sports was investigated. It was found that the use of this method increases the effectiveness of the training process.

  18. PQQ-dependent alcohol dehydrogenase (QEDH) of Pseudomonas aeruginosa is involved in catabolism of acyclic terpenes.

    PubMed

    Chattopadhyay, Ava; Förster-Fromme, Karin; Jendrossek, Dieter

    2010-04-01

    Growth of Pseudomonas aeruginosa on acyclic terpene alcohols such as geraniol depends on the presence of the atuRABCDEFGH gene cluster and a functional acyclic terpene utilisation (Atu) pathway. The proteins encoded by the atu gene cluster are necessary but not sufficient for growth on acyclic terpenes. Comparative 2-dimensional polyacrylamide gel electrophoresis of soluble P. aeruginosa proteins revealed the presence of an additional spot (besides Atu proteins) that is specifically expressed in geraniol cells but is absent in isovalerate-grown cells. The spot was identified as PA1982 gene product a pyrroloquinoline quinone (PQQ) dependent ethanol oxidoreductase (QEDH). Inactivation of PA1982 by insertion mutagenesis resulted in inability of the mutant to utilise ethanol and in reduced growth on geraniol. Growth on ethanol was restored by transferring an intact copy of the PA1982 gene into the mutant. The PA1982 gene product was purified from recombinant Escherichia coli and revealed PQQ-dependent oxidoreductase activity with a variety of substrates including acyclic terpene derivates at comparable V(max)-values. Our results show that QEDH participates in oxidation of acyclic terpene derivates in addition to the well-known function in ethanol metabolism.

  19. Acyclic telluroiminium salts: isolation and characterization.

    PubMed

    Mutoh, Yuichiro; Murai, Toshiaki; Yamago, Shigeru

    2004-12-29

    The isolation, structure, and reactions of acyclic telluroiminium salts were disclosed. The delocalization of electrons on the tellurium atom and the partial double-bond character of C-Te bonds in the salts are discussed on the basis of X-ray molecular structure analysis, 13C and 125Te NMR spectroscopy, and molecular orbital calculation.

  20. Direct Linear Transformation Method for Three-Dimensional Cinematography

    ERIC Educational Resources Information Center

    Shapiro, Robert

    1978-01-01

    The ability of Direct Linear Transformation Method for three-dimensional cinematography to locate points in space was shown to meet the accuracy requirements associated with research on human movement. (JD)

  1. Refactoring Problem of Acyclic Extended Free-Choice Workflow Nets to Acyclic Well-Structured Workflow Nets

    NASA Astrophysics Data System (ADS)

    Yamaguchi, Shingo

    A workflow net (WF-net for short) is a Petri net which represents a workflow. There are two important subclasses of WF-nets: extended free-choice (EFC for short) and well-structured (WS for short). It is known that most actual workflows can be modeled as EFC WF-nets; Acyclic WS is a subclass of acyclic EFC but has more analysis methods. An acyclic EFC WF-net may be transformed to an acyclic WS WF-net without changing the external behavior of the net. We name such a transformation Acyclic EFC WF-net refactoring. We give a formal definition of acyclic EFC WF-net refactoring problem. We also give a necessary condition and a sufficient condition for solving the problem. Those conditions can be checked in polynomial time. These result in the enhancement of the analysis power of acyclic EFC WF-nets.

  2. Modification of DIRECT for high-dimensional design problems

    NASA Astrophysics Data System (ADS)

    Tavassoli, Arash; Haji Hajikolaei, Kambiz; Sadeqi, Soheil; Wang, G. Gary; Kjeang, Erik

    2014-06-01

    DIviding RECTangles (DIRECT), as a well-known derivative-free global optimization method, has been found to be effective and efficient for low-dimensional problems. When facing high-dimensional black-box problems, however, DIRECT's performance deteriorates. This work proposes a series of modifications to DIRECT for high-dimensional problems (dimensionality d>10). The principal idea is to increase the convergence speed by breaking its single initialization-to-convergence approach into several more intricate steps. Specifically, starting with the entire feasible area, the search domain will shrink gradually and adaptively to the region enclosing the potential optimum. Several stopping criteria have been introduced to avoid premature convergence. A diversification subroutine has also been developed to prevent the algorithm from being trapped in local minima. The proposed approach is benchmarked using nine standard high-dimensional test functions and one black-box engineering problem. All these tests show a significant efficiency improvement over the original DIRECT for high-dimensional design problems.

  3. Measurement and visualization of three-dimensional directivity pattern

    NASA Astrophysics Data System (ADS)

    Arndt, Georg-Erwin; Gebert, Anton; Klemenz, Harald; Ritter, Hartmut C.

    2005-09-01

    In order to optimize a new second-order multimicrophone technology for a KEMAR dummy head, a three-dimensional directivity measurement setup was developed. To minimize mechanical mass and to reduce total measurement time a C-Bow setup was used, containing 18 calibrated loudspeakers. Those small tweeters identical in construction are placed in every 10 deg of elevation in a semicircular arc of 2-m diameter. The only moving part of this setup is a full-circle rotating KEMAR. The ANSI Standard 3.35 for directional measurement is fully supported and the required 48 measuring points are completed in less than 3 min. Using this fast and simple setup, the various responses attained from different latitudes need to be weighted to calculate a three-dimensional directivity value. Utilizing an equally distributed number, for example 400 measuring points easily executable with this setup, weighting can be omitted and a three-dimensional plot with high resolution can be visualized. Additionally, two-dimensional cuts of different planes in horizontal, vertical, and sagittal direction can be displayed. Data of unaided KEMAR, as well as data from the hearing aid used during those measurements, are presented and discussed.

  4. Microperiodic structures: direct writing of three-dimensional webs.

    PubMed

    Gratson, Gregory M; Xu, Mingjie; Lewis, Jennifer A

    2004-03-25

    Applications are emerging that require the creation of fine-scale structures in three dimensions--examples include scaffolds for tissue engineering, micro-fluidic devices and photonic materials that control light propagation over a range of frequencies. But writing methods such as dip-pen nanolithography and ink-jet printing are either confined to two dimensions or beset by wetting and spreading problems. Here we use concentrated polyelectrolyte inks to write three-dimensional microperiodic structures directly without using masks. Our technique enables us to write arbitrary three-dimensional patterns whose features are nearly two orders of magnitude smaller than those attained with other multilayer printing techniques.

  5. Acyclic archaebacterial ether lipids in swamp sediments

    NASA Astrophysics Data System (ADS)

    Pauly, George G.; Van Vleet, Edward S.

    1986-06-01

    Acyclic phytanyl diether glycerol and biphytanyl ether lipids have been quantified in two modern swamp sediment cores in concentrations ranging up to 360 μg/ml porewater. Methanogenic bacteria are the only known source organisms which can inhabit the swamp sediments. Variations in relative abundance between these lipids may reflect taxonomic changes in methanogen populations or the stage of growth. Maxima in methanogen lipid concentrations coincide with local maxima of 13C of organic matter, possibly the result of a pool effect on CO 2 or acetate. Methane production estimates calculated from lipid concentrations in swamp sediments range from 0.1 to 1.3 mmol cm -2 yr -1, values which are consistent with published methane fluxes.

  6. Neutral losses: a type of important variables in prediction of branching degree for acyclic alkenes from mass spectra.

    PubMed

    Zhang, Liangxiao; Fan, Wei; Cao, Dongsheng; Zeng, Maomao; Xiao, Hongbin; Liang, Yizeng

    2012-03-30

    Neutral losses are a type of important variables in mass spectral interpretation. Since it is hard to calculate or extract neutral losses from mass spectra, they are usually discarded. In this study, dissimilarity analysis was employed to extract mass spectral characteristics for predicting branching degree of acyclic alkenes. The relationships between branching degree and neutral loss were constructed under direction of experimental observation and mass spectral fragmentations. A branching degree predictor of acyclic alkenes was subsequently built based on the above relationships. After tested by the experimental data in previous studies, the predictor could correctly provide the branching degree from abundant ions of mass spectra. More importantly, this predictor was able to point out which acyclic alkenes could be predicted correctly or not.

  7. Modeling direct interband tunneling. II. Lower-dimensional structures

    SciTech Connect

    Pan, Andrew; Chui, Chi On

    2014-08-07

    We investigate the applicability of the two-band Hamiltonian and the widely used Kane analytical formula to interband tunneling along unconfined directions in nanostructures. Through comparisons with k·p and tight-binding calculations and quantum transport simulations, we find that the primary correction is the change in effective band gap. For both constant fields and realistic tunnel field-effect transistors, dimensionally consistent band gap scaling of the Kane formula allows analytical and numerical device simulations to approximate non-equilibrium Green's function current characteristics without arbitrary fitting. This allows efficient first-order calibration of semiclassical models for interband tunneling in nanodevices.

  8. Multiphoton laser direct writing of two-dimensional silver structures.

    PubMed

    Baldacchini, Tommaso; Pons, Anne-Cécile; Pons, Josefina; Lafratta, Christopher; Fourkas, John; Sun, Yong; Naughton, Michael

    2005-02-21

    We report a novel and efficient method for the laser direct writing of two-dimensional silver structures. Multiphoton absorption of a small fraction of the output of a Ti:sapphire oscillator is sufficient to photoreduce silver nitrate in a thin film of polyvinylpyrrolidone that has been spin-coated on a substrate. The polymer can then be washed away, leaving a pattern consisting of highly interconnected silver nanoparticles. We report the characterization of the silver patterns using scanning electron and atomic force microscopies, and demonstrate the application of this technique in the creation of diffraction gratings.

  9. Rotational effect in two-dimensional cooperative directed transport

    NASA Astrophysics Data System (ADS)

    Qiao, Li-Yan; Li, Yun-yun; Zheng, Zhi-Gang

    2015-02-01

    In this review we investigate the rotation effect in the motion of coupled dimer in a two-dimensional asymmetric periodic potential. Free rotation does not generate directed transport in translational direction, while we find it plays an critical role in the motors motility when the dimer moves under the effect of asymmetry ratchet potential. In the presence of external force, we study the relation between the average current and the force numerically and theoretically. The numerical results show that only appropriate driving force could produce nonzero current and there are current transitions when the force is large enough. An analysis of stability analysis of limit cycles is applied to explain the occurrence of these transitions. Moreover, we numerically simulate the transport of this coupled dimer driven by the random fluctuations in the rotational direction. The existence of noise smooths the current transitions induced by the driving force and the resonance-like peaks which depend on the rod length emerge in small noise strength. Thanks to the noise in the rotational direction, autonomous motion emerges without the external force and large noise could make the current reversal happen. Eventually, the new mechanism to generate directed transport by the rotation is studied.

  10. Direct-writing organic three-dimensional nanofibrous structure

    NASA Astrophysics Data System (ADS)

    Wang, Han; Zheng, Gaofeng; Li, Wenwang; Wang, Xiang; Sun, Daoheng

    2011-02-01

    Direct-writing technology based on Near-Field Electrospinning (NFES) was used to fabricate an organic three-dimensional nanofibrous circle on the patterned silicon substrate. In NFES, straight jet without splitting and chaotic motion was utilized to direct-write orderly nanofiber. When the collector movement speed was lower than electrospinning rate, the relaxed nanofiber would be lead into the pendulum motion by the electrical field force and Coulomb repulsion force from the residual charges on the collector. When the relative air humidity is lower than 35%, individual nanofiber with larger elastic resistance would reveal a good self-assembly performance. Owing to the guidance of the electric field force at the edge of the micro-pattern, a nanofiber was deposited layer by layer to format a 3D nanofibrous circle on the top surface of the micro-pattern. The dimension scale of 3D nanofibrous circle was smaller than 30 µm. With the help of a microscope, a 3D nanofibrous circle can be deposited precisely on the strip micro-pattern with width of 4 µm. Furthermore, a 3D nanofibrous circle in different shapes can be obtained by using special micro-patterns. This organic three-dimensional nanofibrous circle has created a new aspect for the fabrication of organic micro/nanosystems.

  11. Direct Volume Rendering with Shading via Three-Dimensional Textures

    NASA Technical Reports Server (NTRS)

    VanGelder, Allen; Kim, Kwansik

    1996-01-01

    A new and easy-to-implement method for direct volume rendering that uses 3D texture maps for acceleration, and incorporates directional lighting, is described. The implementation, called Voltx, produces high-quality images at nearly interactive speeds on workstations with hardware support for three-dimensional texture maps. Previously reported methods did not incorporate a light model, and did not address issues of multiple texture maps for large volumes. Our research shows that these extensions impact performance by about a factor of ten. Voltx supports orthographic, perspective, and stereo views. This paper describes the theory and implementation of this technique, and compares it to the shear-warp factorization approach. A rectilinear data set is converted into a three-dimensional texture map containing color and opacity information. Quantized normal vectors and a lookup table provide efficiency. A new tesselation of the sphere is described, which serves as the basis for normal-vector quantization. A new gradient-based shading criterion is described, in which the gradient magnitude is interpreted in the context of the field-data value and the material classification parameters, and not in isolation. In the rendering phase, the texture map is applied to a stack of parallel planes, which effectively cut the texture into many slabs. The slabs are composited to form an image.

  12. Acyclic Tethers Mimicking Subunits of Polysaccharide Ligands: Selectin Antagonists

    PubMed Central

    2014-01-01

    We report on the design and synthesis of molecules having E- and P-selectins blocking activity both in vitro and in vivo. The GlcNAc component of the selectin ligand sialyl LewisX was replaced by an acyclic tether that links two saccharide units. The minimization of intramolecular dipole–dipole interactions and the gauche effect would be at the origin of the conformational bias imposed by this acyclic tether. The stereoselective synthesis of these molecules, their biochemical and biological evaluations using surface plasmon resonance spectroscopy (SPR), and in vivo assays are described. Because the structure of our analogues differs from the most potent E-selectin antagonists reported, our acyclic analogues offer new opportunities for chemical diversity. PMID:25221666

  13. On the acyclicity of the solution sets of operator equations

    NASA Astrophysics Data System (ADS)

    Gel'man, Boris D.

    2010-12-01

    A parameter-dependent completely continuous map is considered. The acyclicity of the set of fixed points of this map is proved for some fixed value of the parameter under the assumption that for close values of the parameter the map has a unique fixed point. The results obtained are used to prove the acyclicity of the set of fixed points of a 'nonscattering' map, as well as to study the topological structure of the set of fixed points of an abstract Volterra map. Bibliography: 13 titles.

  14. Synthesis of some novel hydrazono acyclic nucleoside analogues

    PubMed Central

    Khalafi-Nezhad, Ali; Behrouz, Somayeh

    2010-01-01

    Summary The syntheses of novel hydrazono acyclic nucleosides similar to miconazole scaffolds are described. In this series of acyclic nucleosides, pyrimidine as well as purine and other azole derivatives replaced the imidazole function in miconazole and the ether group was replaced with a hydrazone moiety using phenylhydrazine. To interpret the dominant formation of (E)-hydrazone derivatives rather than (Z)-isomers, PM3 semiempirical quantum mechanic calculations were carried out which indicated that the (E)-isomers had the lower heats of formation. PMID:20563270

  15. Oscillatory cellular patterns in three-dimensional directional solidification

    NASA Astrophysics Data System (ADS)

    Tourret, D.; Debierre, J.-M.; Song, Y.; Mota, F. L.; Bergeon, N.; Guérin, R.; Trivedi, R.; Billia, B.; Karma, A.

    2015-10-01

    We present a phase-field study of oscillatory breathing modes observed during the solidification of three-dimensional cellular arrays in microgravity. Directional solidification experiments conducted onboard the International Space Station have allowed us to observe spatially extended homogeneous arrays of cells and dendrites while minimizing the amount of gravity-induced convection in the liquid. In situ observations of transparent alloys have revealed the existence, over a narrow range of control parameters, of oscillations in cellular arrays with a period ranging from about 25 to 125 min. Cellular patterns are spatially disordered, and the oscillations of individual cells are spatiotemporally uncorrelated at long distance. However, in regions displaying short-range spatial ordering, groups of cells can synchronize into oscillatory breathing modes. Quantitative phase-field simulations show that the oscillatory behavior of cells in this regime is linked to a stability limit of the spacing in hexagonal cellular array structures. For relatively high cellular front undercooling (i.e., low growth velocity or high thermal gradient), a gap appears in the otherwise continuous range of stable array spacings. Close to this gap, a sustained oscillatory regime appears with a period that compares quantitatively well with experiment. For control parameters where this gap exists, oscillations typically occur for spacings at the edge of the gap. However, after a change of growth conditions, oscillations can also occur for nearby values of control parameters where this gap just closes and a continuous range of spacings exists. In addition, sustained oscillations at to the opening of this stable gap exhibit a slow periodic modulation of the phase-shift among cells with a slower period of several hours. While long-range coherence of breathing modes can be achieved in simulations for a perfect spatial arrangement of cells as initial condition, global disorder is observed in both

  16. Oscillatory cellular patterns in three-dimensional directional solidification

    DOE PAGES

    Tourret, D.; Debierre, J. -M.; Song, Y.; ...

    2015-09-11

    We present a phase-field study of oscillatory breathing modes observed during the solidification of three-dimensional cellular arrays in micro-gravity. Directional solidification experiments conducted onboard the International Space Station have allowed for the first time to observe spatially extended homogeneous arrays of cells and dendrites while minimizing the amount of gravity-induced convection in the liquid. In situ observations of transparent alloys have revealed the existence, over a narrow range of control parameters, of oscillations in cellular arrays with a period ranging from about 25 to 125 minutes. Cellular patterns are spatially disordered, and the oscillations of individual cells are spatiotemporally uncorrelatedmore » at long distance. However, in regions displaying short-range spatial ordering, groups of cells can synchronize into oscillatory breathing modes. Quantitative phase-field simulations show that the oscillatory behavior of cells in this regime is linked to a stability limit of the spacing in hexagonal cellular array structures. For relatively high cellular front undercooling (\\ie low growth velocity or high thermal gradient), a gap appears in the otherwise continuous range of stable array spacings. Close to this gap, a sustained oscillatory regime appears with a period that compares quantitatively well with experiment. For control parameters where this gap exist, oscillations typically occur for spacings at the edge of the gap. However, after a change of growth conditions, oscillations can also occur for nearby values of control parameters where this gap just closes and a continuous range of spacings exists. In addition, sustained oscillations at to the opening of this stable gap exhibit a slow periodic modulation of the phase-shift among cells with a slower period of several hours. While long-range coherence of breathing modes can be achieved in simulations for a perfect spatial arrangement of cells as initial condition, global

  17. Oscillatory cellular patterns in three-dimensional directional solidification

    SciTech Connect

    Tourret, D.; Debierre, J. -M.; Song, Y.; Mota, F. L.; Bergeon, N.; Guerin, R.; Trivedi, R.; Billia, B.; Karma, A.

    2015-09-11

    We present a phase-field study of oscillatory breathing modes observed during the solidification of three-dimensional cellular arrays in micro-gravity. Directional solidification experiments conducted onboard the International Space Station have allowed for the first time to observe spatially extended homogeneous arrays of cells and dendrites while minimizing the amount of gravity-induced convection in the liquid. In situ observations of transparent alloys have revealed the existence, over a narrow range of control parameters, of oscillations in cellular arrays with a period ranging from about 25 to 125 minutes. Cellular patterns are spatially disordered, and the oscillations of individual cells are spatiotemporally uncorrelated at long distance. However, in regions displaying short-range spatial ordering, groups of cells can synchronize into oscillatory breathing modes. Quantitative phase-field simulations show that the oscillatory behavior of cells in this regime is linked to a stability limit of the spacing in hexagonal cellular array structures. For relatively high cellular front undercooling (\\ie low growth velocity or high thermal gradient), a gap appears in the otherwise continuous range of stable array spacings. Close to this gap, a sustained oscillatory regime appears with a period that compares quantitatively well with experiment. For control parameters where this gap exist, oscillations typically occur for spacings at the edge of the gap. However, after a change of growth conditions, oscillations can also occur for nearby values of control parameters where this gap just closes and a continuous range of spacings exists. In addition, sustained oscillations at to the opening of this stable gap exhibit a slow periodic modulation of the phase-shift among cells with a slower period of several hours. While long-range coherence of breathing modes can be achieved in simulations for a perfect spatial arrangement of cells as initial condition, global disorder is

  18. Acyclic glycosidopyrroles analogues of ganciclovir: synthesis and biological activity.

    PubMed

    Diana, P; Barraja, P; Almerico, A M; Dattolo, G; Mingoia, F; Loi, A G; Congeddu, E; Musiu, C; Putzolu, M; La Colla, P

    1997-05-01

    Acyclic glycosidopyrroles of type 3 were synthetized in good overall yields, according to the Scheme. When evaluated for antiviral activity against DNA and RNA viruses, only compound in which R1 = R2 = Ph, R3 = NH2 was found to inhibit the HIV-1 replication at concentrations that were not cytotoxic for MT-4 cells.

  19. New acyclic diterpenic acids from yacon (Smallanthus sonchifolius) leaves.

    PubMed

    Mercado, María I; Coll Aráoz, María V; Grau, Alfredo; Catalán, César A N

    2010-11-01

    Two new acyclic diterpenoids, smaditerpenic acid E (1a) and F (2a), along with nineteen melampolide-type sesquiterpene lactones, six of them not previously reported in yacon, were isolated from the methylene chloride leaf rinse extract. Their structures were elucidated from 1D and 2D NMR experiments and gas chromatography coupled to mass spectrometry.

  20. Direct Human Cartilage Repair Using Three-Dimensional Bioprinting Technology

    PubMed Central

    Cui, Xiaofeng; Breitenkamp, Kurt; Finn, M.G.; Lotz, Martin

    2012-01-01

    Current cartilage tissue engineering strategies cannot as yet fabricate new tissue that is indistinguishable from native cartilage with respect to zonal organization, extracellular matrix composition, and mechanical properties. Integration of implants with surrounding native tissues is crucial for long-term stability and enhanced functionality. In this study, we developed a bioprinting system with simultaneous photopolymerization capable for three-dimensional (3D) cartilage tissue engineering. Poly(ethylene glycol) dimethacrylate (PEGDMA) with human chondrocytes were printed to repair defects in osteochondral plugs (3D biopaper) in layer-by-layer assembly. Compressive modulus of printed PEGDMA was 395.73±80.40 kPa, which was close to the range of the properties of native human articular cartilage. Printed human chondrocytes maintained the initially deposited positions due to simultaneous photopolymerization of surrounded biomaterial scaffold, which is ideal in precise cell distribution for anatomic cartilage engineering. Viability of printed human chondrocytes increased 26% in simultaneous polymerization than polymerized after printing. Printed cartilage implant attached firmly with surrounding tissue and greater proteoglycan deposition was observed at the interface of implant and native cartilage in Safranin-O staining. This is consistent with the enhanced interface failure strength during the culture assessed by push-out testing. Printed cartilage in 3D biopaper had elevated glycosaminoglycan (GAG) content comparing to that without biopaper when normalized to DNA. These observations were consistent with gene expression results. This study indicates the importance of direct cartilage repair and promising anatomic cartilage engineering using 3D bioprinting technology. PMID:22394017

  1. Directed assembly of three-dimensional microvascular networks

    NASA Astrophysics Data System (ADS)

    Therriault, Daniel

    Three-dimensional (3-D) microvascular networks with pervasive, interconnected channels less than 300 mum in diameter may find widespread application in microfluidic devices, biotechnology, sensors, and autonomic healing materials. Although microchannel arrays are readily constructed in two-dimensions by photolithographic or soft lithographic techniques, their construction in three-dimensions remains a challenging problem. The development of a microfabrication method to build 3-D microvascular networks based on direct-write assembly is described is this thesis. The method is based on the robotic deposition of a fugitive organic ink to form a free-standing scaffold structure. Secondary infiltration of a structural resin followed by setting of the matrix and removal of the scaffold yields an embedded pervasive network of smooth cylindrical channels (˜10--500 mum) with defined connectivity. Rheological and other material properties studies of fugitive organic ink were performed in order to identify the critical characteristics required for successful deposition of 3-D scaffolds by direct-write assembly. Guided by the results of these studies, several new ink formulations were screened for improved deposition performance. The most successful of these inks (40wt% microcrystalline wax, 60wt% petroleum jelly) showed excellent deposition and had an equilibrium modulus at room temperature (G 'eq ˜ 7.70 kPa 1 Hz) nearly two orders of magnitude higher than the original ink. The optimized ink was used to successfully build thick (i.e., ˜100 layers) scaffold structures at room temperature with negligible time-dependent deformation post-deposition. Secondary infiltration of the resin was accomplished at room temperature while maintaining the scaffold architecture. The optimized ink was also successfully extruded through small micronozzles (1 mum). The construction of 3-D microvascular networks enables microfluidic devices with unparallel geometric complexity. In one example, a

  2. Anion-directed assembly: Framework conversion in dimensionality and photoluminescence

    NASA Astrophysics Data System (ADS)

    Gong, Yun; Liu, Tianfu; Tang, Wang; Wu, Fengjing; Gao, Wenliang; Hu, Changwen

    2007-04-01

    Six novel Ni(II)-fluconazole complexes formulated as (C 13H 11N 6OF 2) 2Ni 2(NO 3) 2 ( 1), (C 13H 12N 6OF 2) 2Ni(NO 3) 2·H 2O ( 2), (C 13H 12N 6OF 2)Ni(SO 4)(DMF) 2(H 2O) ( 3), (C 13H 12N 6OF 2) 2Ni(H 2O) 2(SO 4)·4H 2O ( 4), (C 13H 12N 6OF 2) 2NiCl 2·2(CH 3OH) ( 5), (C 13H 12N 6OF 2) 4Ni 2 (MoO 4) 2·6H 2O ( 6) have been hydrothermally or solvothermally synthesized under similar conditions except different anions and solvents. They are structurally characterized by elemental analysis, IR, TG and single crystal X-ray diffraction. Complex 1 is a molecular binuclear nickel cluster. Complex 2 exhibits a one-dimensional (1D) chain linked by double-stranded fluconazole-bridge. Complex 3 shows a novel 1D chain linked by double-stranded fluconazole-bridge and double-stranded SO 42--bridge. Complex 4 shows a three-dimensional (3D) architecture and SO 42- anions occupy the cavity. Complex 5 exhibits a two-dimensional (2D) structure constructed by alternating left- and right-handed helices. Complex 6 exhibits a 3D architecture, in which the 2D layers are pillared by {MoO 4} tetrahedra. Complex 2 can be irreversibly converted to complex 1 in the presence of DMF ( N, N'-dimethyllformamide). Complexes 1, 3 and 6 show antiferromagnetic interactions between the nickel (II) ions The photoluminescence properties of the six complexes indicated that the introduction of different anions can enhance or weaken the intra-ligand transitions of fluconazole.

  3. Direct force wall shear measurements in pressure-driven three-dimensional turbulent boundary layers

    NASA Technical Reports Server (NTRS)

    Mcallister, J. E.; Tennant, M. H.; Pierce, F. J.

    1982-01-01

    Unique, simultaneous direct measurements of the magnitude and direction of the local wall shear stress in a pressure-driven three-dimensional turbulent boundary layer are presented. The flow is also described with an oil streak wall flow pattern, a map of the wall shear stress-wall pressure gradient orientations, a comparison of the wall shear stress directions relative to the directions of the nearest wall velocity as measured with a typical, small boundary layer directionally sensitive claw probe, as well as limiting wall streamline directions from the oil streak patterns, and a comparison of the freestream streamlines and the wall flow streamlines. A review of corrections for direct force sensing shear meters for two-dimensional flows is presented with a brief discussion of their applicability to three-dimensional devices.

  4. Enzymatic study on AtCCD4 and AtCCD7 and their potential to form acyclic regulatory metabolites

    PubMed Central

    Bruno, Mark; Koschmieder, Julian; Wuest, Florian; Schaub, Patrick; Fehling-Kaschek, Mirjam; Timmer, Jens; Beyer, Peter; Al-Babili, Salim

    2016-01-01

    The Arabidopsis carotenoid cleavage dioxygenase 4 (AtCCD4) is a negative regulator of the carotenoid content of seeds and has recently been suggested as a candidate for the generation of retrograde signals that are thought to derive from the cleavage of poly-cis-configured carotene desaturation intermediates. In this work, we investigated the activity of AtCCD4 in vitro and used dynamic modeling to determine its substrate preference. Our results document strict regional specificity for cleavage at the C9–C10 double bond in carotenoids and apocarotenoids, with preference for carotenoid substrates and an obstructing effect on hydroxyl functions, and demonstrate the specificity for all-trans-configured carotenes and xanthophylls. AtCCD4 cleaved substrates with at least one ionone ring and did not convert acyclic carotene desaturation intermediates, independent of their isomeric states. These results do not support a direct involvement of AtCCD4 in generating the supposed regulatory metabolites. In contrast, the strigolactone biosynthetic enzyme AtCCD7 converted 9-cis-configured acyclic carotenes, such as 9-cis-ζ-carotene, 9'-cis-neurosporene, and 9-cis-lycopene, yielding 9-cis-configured products and indicating that AtCCD7, rather than AtCCD4, is the candidate for forming acyclic retrograde signals. PMID:27811075

  5. Three dimensional direct numerical simulation of complex jet flows

    NASA Astrophysics Data System (ADS)

    Shin, Seungwon; Kahouadji, Lyes; Juric, Damir; Chergui, Jalel; Craster, Richard; Matar, Omar

    2016-11-01

    We present three-dimensional simulations of two types of very challenging jet flow configurations. The first consists of a liquid jet surrounded by a faster coaxial air flow and the second consists of a global rotational motion. These computations require a high spatial resolution and are performed with a newly developed high performance parallel code, called BLUE, for the simulation of two-phase, multi-physics and multi-scale incompressible flows, tested on up to 131072 threads with excellent scalability performance. The method for the treatment of the fluid interfaces uses a hybrid Front Tracking/Level Set technique that defines the interface both by a discontinuous density field as well as by a local triangular Lagrangian mesh. Coriolis forces are taken into account and solved via an exact time-integration method that ensures numerical accuracy and stability. EPSRC UK Programme Grant EP/K003976/1.

  6. Parallel direct numerical simulation of three-dimensional spray formation

    NASA Astrophysics Data System (ADS)

    Chergui, Jalel; Juric, Damir; Shin, Seungwon; Kahouadji, Lyes; Matar, Omar

    2015-11-01

    We present numerical results for the breakup mechanism of a liquid jet surrounded by a fast coaxial flow of air with density ratio (water/air) ~ 1000 and kinematic viscosity ratio ~ 60. We use code BLUE, a three-dimensional, two-phase, high performance, parallel numerical code based on a hybrid Front-Tracking/Level Set algorithm for Lagrangian tracking of arbitrarily deformable phase interfaces and a precise treatment of surface tension forces. The parallelization of the code is based on the technique of domain decomposition where the velocity field is solved by a parallel GMRes method for the viscous terms and the pressure by a parallel multigrid/GMRes method. Communication is handled by MPI message passing procedures. The interface method is also parallelized and defines the interface both by a discontinuous density field as well as by a triangular Lagrangian mesh and allows the interface to undergo large deformations including the rupture and/or coalescence of interfaces. EPSRC Programme Grant, MEMPHIS, EP/K0039761/1.

  7. The a-cycle problem for transverse Ising ring

    NASA Astrophysics Data System (ADS)

    Dong, Jian-Jun; Li, Peng; Chen, Qi-Hui

    2016-11-01

    Traditionally, the transverse Ising model is mapped to the fermionic c-cycle problem, which neglects the boundary effect due to thermodynamic limit. If persisting on a perfect periodic boundary condition, we can get a so-called a-cycle problem that has not been treated seriously so far (Lieb et al 1961 Ann. Phys. 16 407). In this work, we show a little surprising but exact result in this respect. We find the odevity of the number of lattice sites, N, in the a-cycle problem plays an unexpected role even in the thermodynamic limit, N\\to ∞ , due to the boundary constraint. We pay special attention to the system with N(\\in Odd)\\to ∞ , which is in contrast to the one with N(\\in Even)\\to ∞ , because the former suffers a ring frustration. As a new effect, we find the ring frustration induces a low-energy gapless spectrum above the ground state. By proving a theorem for a new type of Toeplitz determinant, we demonstrate that the ground state in the gapless region exhibits a peculiar longitudinal spin-spin correlation. The entangled nature of the ground state is also disclosed by the evaluation of its entanglement entropy. At low temperature, new behavior of specific heat is predicted. We also propose an experimental protocol for observing the new phenomenon due to the ring frustration.

  8. Catabolism of citronellol and related acyclic terpenoids in pseudomonads.

    PubMed

    Förster-Fromme, Karin; Jendrossek, Dieter

    2010-07-01

    Terpenes are a huge group of natural compounds characterised by their predominantly pleasant smell. They are built up by isoprene units in cyclic or acyclic form and can be functionalised by carbonyl, hydroxyl or carboxyl groups and by presence of additional carbon-carbon double bonds (terpenoids). Currently, much more than 10,000 terpenoid compounds are known, and many thereof are present in different iso- and stereoforms. Terpenoids are secondary metabolites and can have important biological functions in living organisms. In many cases, the biological functions of terpenoids are not known at all. Nevertheless, terpenoids are used in large quantities as perfumes and aroma compounds for food additives. Terpenoids can be also precursors and building blocks for synthesis of complex chiral compounds in chemical and pharmaceutical industry. Unfortunately, only few terpenoids are available in large quantities at reasonable costs. Therefore, characterisation of suited biocatalysts specific for terpenoid compounds and development of biotransformation processes of abundant terpenoids to commercially interesting derivates becomes more and more important. This minireview summarises knowledge on catabolic pathways and biotransformations of acyclic monoterpenes that have received only little attention. Terpenoids with 20 or more carbon atoms are not a subject of this study.

  9. Bi-directional two-dimensional/three-dimensional convertible integral imaging using scattering polarizer

    NASA Astrophysics Data System (ADS)

    Yeom, Jiwoon; Hong, Jisoo; Park, Soon-gi; Min, Sung-Wook; Lee, Byoungho

    2012-10-01

    A bi-directional 2D/3D convertible integral imaging system is proposed. Two optical modules composed of a scattering polarizer and a linear polarizer are adopted, and 2D or 3D mode operation is easily changed by converting polarization states of the projected images. In the 2D mode, the incident light is scattered at the scattering polarizer and the scattered light facing the lens-array is blocked, a 2D image is observable only at the same side as the projector. In the 3D mode, the incident light with the transmission polarization is directly projected onto a lens-array, and the 3D images are integrated. Our proposed system is able to display the 3D images as well as the 2D images for the observers who are placed in front and rear side of the system.

  10. The effect of gaze direction on three-dimensional face recognition in infants.

    PubMed

    Yamashita, Wakayo; Kanazawa, So; Yamaguchi, Masami K

    2012-09-01

    Eye gaze is an important tool for social contact. In this study, we investigated whether direct gaze facilitates the recognition of three-dimensional face images in infants. We presented artificially produced face images in rotation to 6-8 month-old infants. The eye gaze of the face images was either direct or averted. Sixty-one sequential images of each face were created by rotating the vertical axis of the face from frontal view to ± 30°. The recognition performances of the infants were then compared between faces with direct gaze and faces with averted gaze. Infants showed evidence that they were able to discriminate the novel from familiarized face by 8 months of age and only when gaze is direct. These results suggest that gaze direction may affect three-dimensional face recognition in infants.

  11. Vinculin regulates directionality and cell polarity in two- and three-dimensional matrix and three-dimensional microtrack migration

    PubMed Central

    Rahman, Aniqua; Carey, Shawn P.; Kraning-Rush, Casey M.; Goldblatt, Zachary E.; Bordeleau, Francois; Lampi, Marsha C.; Lin, Deanna Y.; García, Andrés J.; Reinhart-King, Cynthia A.

    2016-01-01

    During metastasis, cells can use proteolytic activity to form tube-like “microtracks” within the extracellular matrix (ECM). Using these microtracks, cells can migrate unimpeded through the stroma. To investigate the molecular mechanisms of microtrack migration, we developed an in vitro three-dimensional (3D) micromolded collagen platform. When in microtracks, cells tend to migrate unidirectionally. Because focal adhesions are the primary mechanism by which cells interact with the ECM, we examined the roles of several focal adhesion molecules in driving unidirectional motion. Vinculin knockdown results in the repeated reversal of migration direction compared with control cells. Tracking the position of the Golgi centroid relative to the position of the nucleus centroid reveals that vinculin knockdown disrupts cell polarity in microtracks. Vinculin also directs migration on two-dimensional (2D) substrates and in 3D uniform collagen matrices, as indicated by reduced speed, shorter net displacement, and decreased directionality in vinculin-deficient cells. In addition, vinculin is necessary for focal adhesion kinase (FAK) activation in three dimensions, as vinculin knockdown results in reduced FAK activation in both 3D uniform collagen matrices and microtracks but not on 2D substrates, and, accordingly, FAK inhibition halts cell migration in 3D microtracks. Together these data indicate that vinculin plays a key role in polarization during migration. PMID:26960796

  12. The effect of gaze direction on three-dimensional face recognition in infant brain activity.

    PubMed

    Yamashita, Wakayo; Kanazawa, So; Yamaguchi, Masami K; Kakigi, Ryusuke

    2012-09-12

    In three-dimensional face recognition studies, it is well known that viewing rotating faces enhance face recognition. For infants, our previous study indicated that 8-month-old infants showed recognition of three-dimensional rotating faces with a direct gaze, and they did not learn with an averted gaze. This suggests that gaze direction may affect three-dimensional face recognition in infants. In this experiment, we used near-infrared spectroscopy to measure infants' hemodynamic responses to averted gaze and direct gaze. We hypothesized that infants would show different neural activity for averted and direct gazes. The responses were compared with the baseline activation during the presentation of non-face objects. We found that the concentration of oxyhemoglobin increased in the temporal cortex on both sides only during the presentation of averted gaze compared with that of the baseline period. This is the first study to show that infants' brain activity in three-dimensional face processing is different between averted gaze and direct gaze.

  13. Delay estimation in a two-node acyclic network

    PubMed Central

    2009-01-01

    Linear measures such as cross-correlation have been used successfully to determine time delays from the given processes. Such an analysis often precedes identifying possible causal relationships between the observed processes. The present study investigates the impact of a positively correlated driver whose correlation function decreases monotonically with lag on the delay estimation in a two-node acyclic network with one and two-delays. It is shown that cross-correlation analysis of the given processes can result in spurious identification of multiple delays between the driver and the dependent processes. Subsequently, delay estimation of increment process as opposed to the original process under certain implicit constraints is explored. Short-range and long-range correlated driver processes along with those of their coarse-grained counterparts are considered. PMID:19214240

  14. Three-dimensional atomic force microscopy: interaction force vector by direct observation of tip trajectory.

    PubMed

    Sigdel, Krishna P; Grayer, Justin S; King, Gavin M

    2013-11-13

    The prospect of a robust three-dimensional atomic force microscope (AFM) holds significant promise in nanoscience. Yet, in conventional AFM, the tip-sample interaction force vector is not directly accessible. We scatter a focused laser directly off an AFM tip apex to rapidly and precisely measure the tapping tip trajectory in three-dimensional space. This data also yields three-dimensional cantilever spring constants, effective masses, and hence, the tip-sample interaction force components via Newton's second law. Significant lateral forces representing 49 and 13% of the normal force (Fz = 152 ± 17 pN) were observed in common tapping mode conditions as a silicon tip intermittently contacted a glass substrate in aqueous solution; as a consequence, the direction of the force vector tilted considerably more than expected. When addressing the surface of a lipid bilayer, the behavior of the force components differed significantly from that observed on glass. This is attributed to the lateral mobility of the lipid membrane coupled with its elastic properties. Direct access to interaction components Fx, Fy, and Fz provides a more complete view of tip dynamics that underlie force microscope operation and can form the foundation of a three-dimensional AFM in a plurality of conditions.

  15. Stable direct adaptive control of linear infinite-dimensional systems using a command generator tracker approach

    NASA Technical Reports Server (NTRS)

    Balas, Mark; Kaufman, Howard; Wen, John

    1984-01-01

    The topics are presented in view graph form and include the following: an adaptive model following control; adaptive control of a distributed parameter system (DPS) with a finite-dimensional controller; a direct adaptive controller; a closed-loop adaptively controlled DPS; Lyapunov stability; the asymptotic stability of the closed loop; and model control of a simply supported beam.

  16. Implementation of alternating direction explicit methods for higher dimensional Black-Scholes equations

    NASA Astrophysics Data System (ADS)

    Bučková, Z.; Pólvora, P.; Ehrhardt, M.; Günther, M.

    2016-10-01

    In this work we propose Alternating Direction Explicit (ADE) schemes for the two and three dimensional linear Black-Scholes pricing model. Our implemented methodology can be easily extended to higher dimensions. The main advantage of ADE schemes is that they are explicit and exhibit good stability properties. Results concerning the experimental order of convergence are included.

  17. Directional interlayer spin-valley transfer in two-dimensional heterostructures

    PubMed Central

    Schaibley, John R.; Rivera, Pasqual; Yu, Hongyi; Seyler, Kyle L.; Yan, Jiaqiang; Mandrus, David G.; Taniguchi, Takashi; Watanabe, Kenji; Yao, Wang; Xu, Xiaodong

    2016-01-01

    Van der Waals heterostructures formed by two different monolayer semiconductors have emerged as a promising platform for new optoelectronic and spin/valleytronic applications. In addition to its atomically thin nature, a two-dimensional semiconductor heterostructure is distinct from its three-dimensional counterparts due to the unique coupled spin-valley physics of its constituent monolayers. Here, we report the direct observation that an optically generated spin-valley polarization in one monolayer can be transferred between layers of a two-dimensional MoSe2–WSe2 heterostructure. Using non-degenerate optical circular dichroism spectroscopy, we show that charge transfer between two monolayers conserves spin-valley polarization and is only weakly dependent on the twist angle between layers. Our work points to a new spin-valley pumping scheme in nanoscale devices, provides a fundamental understanding of spin-valley transfer across the two-dimensional interface, and shows the potential use of two-dimensional semiconductors as a spin-valley generator in two-dimensional spin/valleytronic devices for storing and processing information. PMID:27966524

  18. Directional interlayer spin-valley transfer in two-dimensional heterostructures.

    PubMed

    Schaibley, John R; Rivera, Pasqual; Yu, Hongyi; Seyler, Kyle L; Yan, Jiaqiang; Mandrus, David G; Taniguchi, Takashi; Watanabe, Kenji; Yao, Wang; Xu, Xiaodong

    2016-12-14

    Van der Waals heterostructures formed by two different monolayer semiconductors have emerged as a promising platform for new optoelectronic and spin/valleytronic applications. In addition to its atomically thin nature, a two-dimensional semiconductor heterostructure is distinct from its three-dimensional counterparts due to the unique coupled spin-valley physics of its constituent monolayers. Here, we report the direct observation that an optically generated spin-valley polarization in one monolayer can be transferred between layers of a two-dimensional MoSe2-WSe2 heterostructure. Using non-degenerate optical circular dichroism spectroscopy, we show that charge transfer between two monolayers conserves spin-valley polarization and is only weakly dependent on the twist angle between layers. Our work points to a new spin-valley pumping scheme in nanoscale devices, provides a fundamental understanding of spin-valley transfer across the two-dimensional interface, and shows the potential use of two-dimensional semiconductors as a spin-valley generator in two-dimensional spin/valleytronic devices for storing and processing information.

  19. Directional interlayer spin-valley transfer in two-dimensional heterostructures

    DOE PAGES

    Schaibley, John R.; Rivera, Pasqual; Yu, Hongyi; ...

    2016-12-14

    Van der Waals heterostructures formed by two different monolayer semiconductors have emerged as a promising platform for new optoelectronic and spin/valleytronic applications. In addition to its atomically thin nature, a two-dimensional semiconductor heterostructure is distinct from its three-dimensional counterparts due to the unique coupled spin-valley physics of its constituent monolayers. In this paper, we report the direct observation that an optically generated spin-valley polarization in one monolayer can be transferred between layers of a two-dimensional MoSe2–WSe2 heterostructure. Using non-degenerate optical circular dichroism spectroscopy, we show that charge transfer between two monolayers conserves spin-valley polarization and is only weakly dependent onmore » the twist angle between layers. Finally, our work points to a new spin-valley pumping scheme in nanoscale devices, provides a fundamental understanding of spin-valley transfer across the two-dimensional interface, and shows the potential use of two-dimensional semiconductors as a spin-valley generator in two-dimensional spin/valleytronic devices for storing and processing information.« less

  20. Directional interlayer spin-valley transfer in two-dimensional heterostructures

    SciTech Connect

    Schaibley, John R.; Rivera, Pasqual; Yu, Hongyi; Seyler, Kyle L.; Yan, Jiaqiang; Mandrus, David G.; Taniguchi, Takashi; Watanabe, Kenji; Yao, Wang; Xu, Xiaodong

    2016-12-14

    Van der Waals heterostructures formed by two different monolayer semiconductors have emerged as a promising platform for new optoelectronic and spin/valleytronic applications. In addition to its atomically thin nature, a two-dimensional semiconductor heterostructure is distinct from its three-dimensional counterparts due to the unique coupled spin-valley physics of its constituent monolayers. In this paper, we report the direct observation that an optically generated spin-valley polarization in one monolayer can be transferred between layers of a two-dimensional MoSe2–WSe2 heterostructure. Using non-degenerate optical circular dichroism spectroscopy, we show that charge transfer between two monolayers conserves spin-valley polarization and is only weakly dependent on the twist angle between layers. Finally, our work points to a new spin-valley pumping scheme in nanoscale devices, provides a fundamental understanding of spin-valley transfer across the two-dimensional interface, and shows the potential use of two-dimensional semiconductors as a spin-valley generator in two-dimensional spin/valleytronic devices for storing and processing information.

  1. Amplification and directional emission of surface acoustic waves by a two-dimensional electron gas

    SciTech Connect

    Shao, Lei; Pipe, Kevin P.

    2015-01-12

    Amplification of surface acoustic waves (SAWs) by electron drift in a two-dimensional electron gas (2DEG) is analyzed analytically and confirmed experimentally. Calculations suggest that peak power gain per SAW radian occurs at a more practical carrier density for a 2DEG than for a bulk material. It is also shown that SAW emission with tunable directionality can be achieved by modulating a 2DEG's carrier density (to effect SAW generation) in the presence of an applied DC field that amplifies SAWs propagating in a particular direction while attenuating those propagating in the opposite direction.

  2. Stochastic ratcheting of two-dimensional colloids: Directed current and dynamical transitions

    NASA Astrophysics Data System (ADS)

    Chakraborty, Dipanjan; Chaudhuri, Debasish

    2015-05-01

    We present results of molecular dynamics simulations for two-dimensional repulsively interacting colloids driven by a one-dimensional asymmetric and commensurate ratchet potential, switching on and off stochastically. This drives a time-averaged directed current of colloids, exhibiting resonance with change in ratcheting frequency, where the resonance frequency itself depends nonmonotonically on density. Using scaling arguments, we obtain analytic results that show good agreement with numerical simulations. With increasing ratcheting frequency, we find nonequilibrium reentrant transitions between solid and modulated liquid phases.

  3. Enantioselective Pd-catalyzed allylation of acyclic α-fluorinated ketones.

    PubMed

    Wang, Wengui; Shen, Haiming; Wan, Xiao-Long; Chen, Qing-Yun; Guo, Yong

    2014-07-03

    Significant synthetic challenges remain for the asymmetric synthesis of tertiary α-fluoro ketones, which are potentially useful molecules for the development of drugs, agrochemicals, and functional materials. Herein, we describe the development of a method for the catalytic enantioselective synthesis of tertiary α-fluoro ketones via the Tsuji-Trost reaction of racemic acyclic α-fluorinated ketones. Enantioenriched acyclic α-cabonyl tertiary fluorides can be produced with the aid of a palladium/phosphinooxazoline catalyst.

  4. Direct calculation of thermal emission for three-dimensionally periodic photonic crystal slabs.

    PubMed

    Chan, David L C; Soljacić, Marin; Joannopoulos, J D

    2006-09-01

    We perform direct thermal emission calculations for three-dimensionally periodic photonic crystal slabs using stochastic electrodynamics following the Langevin approach, implemented via a finite-difference time-domain algorithm. We demonstrate that emissivity and absorptivity are equal, by showing that such photonic crystal systems emit as much radiation as they absorb, for every frequency, up to statistical fluctuations. We also study the effect of surface termination on absorption and emission spectra from these systems.

  5. Direct calculation of thermal emission for three-dimensionally periodic photonic crystal slabs

    NASA Astrophysics Data System (ADS)

    Chan, David L. C.; Soljačić, Marin; Joannopoulos, J. D.

    2006-09-01

    We perform direct thermal emission calculations for three-dimensionally periodic photonic crystal slabs using stochastic electrodynamics following the Langevin approach, implemented via a finite-difference time-domain algorithm. We demonstrate that emissivity and absorptivity are equal, by showing that such photonic crystal systems emit as much radiation as they absorb, for every frequency, up to statistical fluctuations. We also study the effect of surface termination on absorption and emission spectra from these systems.

  6. Structural Interactions within Lithium Salt Solvates. Acyclic Carbonates and Esters

    SciTech Connect

    Afroz, Taliman; Seo, D. M.; Han, Sang D.; Boyle, Paul D.; Henderson, Wesley A.

    2015-03-06

    Solvate crystal structures serve as useful models for the molecular-level interactions within the diverse solvates present in liquid electrolytes. Although acyclic carbonate solvents are widely used for Li-ion battery electrolytes, only three solvate crystal structures with lithium salts are known for these and related solvents. The present work, therefore, reports six lithium salt solvate structures with dimethyl and diethyl carbonate: (DMC)2:LiPF6, (DMC)1:LiCF3SO3, (DMC)1/4:LiBF4, (DEC)2:LiClO4, (DEC)1:LiClO4 and (DEC)1:LiCF3SO3 and four with the structurally related methyl and ethyl acetate: (MA)2:LiClO4, (MA)1:LiBF4, (EA)1:LiClO4 and (EA)1:LiBF4.

  7. A combined direct/inverse three-dimensional transonic wing design method for vector computers

    NASA Technical Reports Server (NTRS)

    Weed, R. A.; Carlson, L. A.; Anderson, W. K.

    1984-01-01

    A three-dimensional transonic-wing design algorithm for vector computers is developed, and the results of sample computations are presented graphically. The method incorporates the direct/inverse scheme of Carlson (1975), a Cartesian grid system with boundary conditions applied at a mean plane, and a potential-flow solver based on the conservative form of the full potential equation and using the ZEBRA II vectorizable solution algorithm of South et al. (1980). The accuracy and consistency of the method with regard to direct and inverse analysis and trailing-edge closure are verified in the test computations.

  8. Directed and undirected multiurn models in a one-dimensional ring

    NASA Astrophysics Data System (ADS)

    Nagler, Jan

    2005-11-01

    The flea model by Ehrenfest describes the jumps of a fixed number of fleas between two dogs. In each time step a randomly selected flea jumps on the other dog. We study directed and undirected multiurn models in a one-dimensional ring. The introduced models represent generalizations of three recently proposed multiurn models which themselves are generalizations of Ehrenfest’s model. The models are solved analytically. For the directed case we find oscillations of the average number of balls or fleas in a certain urn before the system reaches its equilibrium state. The discussed models may serve as basic models of dynamics of granular media in connected periodic compartment systems.

  9. Three-dimensional broadband and high-directivity lens antenna made of metamaterials

    NASA Astrophysics Data System (ADS)

    Chen, Xi; Feng Ma, Hui; Ying Zou, Xia; Xiang Jiang, Wei; Jun Cui, Tie

    2011-08-01

    We present the theoretical modeling and prototype demonstration of a three-dimensional broadband, low-loss, dual-polarization, and high-directivity lens antenna using gradient index (GRIN) metamaterials, which is composed of multi-layer microstrip square-ring arrays. The elements of metamaterials, closed square-ring units of variable sizes, are distributed on the planar substrate to satisfy the radial gradient index function and the axial impedance matching layer configuration of the lens. The gradient-index metamaterials are designed to transform the spherical wave-front into the planar wave-front and to minimize the reflection loss. A prototype lens antenna, which consists of a metal conical horn and the gradient-index lens, are simulated, constructed, and measured. The resemblance of simulation and measurement results shows that the prototype lens antenna maintains low return loss and high directivity on the whole X-band (from 8 GHz to 12 GHz). Compared to the traditional horn antenna, the metamaterial GRIN lens antenna has much superior performance—for instance, the gain increases by 6 dBi at 12 GHz. These results demonstrate the feasibility of such a light weight slab metamaterial lens for broadband and high-directivity antenna applications, such as in radar and communication systems. We have used the lens antennas in the measurements of a three-dimensional invisibility cloak due to the high directivity.

  10. Direct TEM observations of growth mechanisms of two-dimensional MoS2 flakes

    PubMed Central

    Fei, Linfeng; Lei, Shuijin; Zhang, Wei-Bing; Lu, Wei; Lin, Ziyuan; Lam, Chi Hang; Chai, Yang; Wang, Yu

    2016-01-01

    A microscopic understanding of the growth mechanism of two-dimensional materials is of particular importance for controllable synthesis of functional nanostructures. Because of the lack of direct and insightful observations, how to control the orientation and the size of two-dimensional material grains is still under debate. Here we discern distinct formation stages for MoS2 flakes from the thermolysis of ammonium thiomolybdates using in situ transmission electron microscopy. In the initial stage (400 °C), vertically aligned MoS2 structures grow in a layer-by-layer mode. With the increasing temperature of up to 780 °C, the orientation of MoS2 structures becomes horizontal. When the growth temperature reaches 850 °C, the crystalline size of MoS2 increases by merging adjacent flakes. Our study shows direct observations of MoS2 growth as the temperature evolves, and sheds light on the controllable orientation and grain size of two-dimensional materials. PMID:27412892

  11. Terahertz vibrations of crystalline acyclic and cyclic diglycine: benchmarks for London force correction models.

    PubMed

    Juliano, Thomas R; Korter, Timothy M

    2013-10-10

    Terahertz spectroscopy provides direct information concerning weak intermolecular forces in crystalline molecular solids and therefore acts as an excellent method for calibrating and evaluating computational models for noncovalent interactions. In this study, the low-frequency vibrations of two dipeptides were compared, acyclic diglycine and cyclic diglycine, as benchmark systems for gauging the performance of semiempirical London force correction approaches. The diglycine samples were investigated using pulsed terahertz spectroscopy from 10 to 100 cm(-1) and then analyzed using solid-state density functional theory (DFT) augmented with existing London force corrections, as well as a new parametrization (DFT-DX) based on known experimental values. The two diglycine molecules provide a useful test for the applied models given their similarities, but more importantly the differences in the intermolecular forces displayed by each. It was found that all of the considered London force correction models were able to generate diglycine crystal structures of similar accuracy, but considerable variation occurred in their abilities to predict terahertz frequency vibrations. The DFT-DX parametrization was particularly successful in this investigation and shows promise for the improved analysis of low-frequency spectra.

  12. Dimensional and material characteristics of direct deposited tool steel by CO II laser

    NASA Astrophysics Data System (ADS)

    Choi, J.

    2006-01-01

    Laser aided direct metalimaterial deposition (DMD) process builds metallic parts layer-by-layer directly from the CAD representation. In general, the process uses powdered metaUmaterials fed into a melt pool, creating fully dense parts. Success of this technology in the die and tool industry depends on the parts quality to be achieved. To obtain designed geometric dimensions and material properties, delicate control of the parameters such as laser power, spot diameter, traverse speed and powder mass flow rate is critical. In this paper, the dimensional and material characteristics of directed deposited H13 tool steel by CO II laser are investigated for the DMD process with a feedback height control system. The relationships between DMD process variables and the product characteristics are analyzed using statistical techniques. The performance of the DMD process is examined with the material characteristics of hardness, porosity, microstructure, and composition.

  13. Visualization of Bloch surface waves and directional propagation effects on one-dimensional photonic crystal substrate.

    PubMed

    Hung, Yu-Ju; Lin, I-Sheng

    2016-07-11

    This paper reports a novel approach to the direct observation of Bloch surface waves, wherein a layer of fluorescent material is deposited directly on the surface of a semi-infinite periodic layered cell. A set of surface nano-gratings is used to couple pumping light to Bloch surface waves, while the sample is rotated until the pumping light meets the quasi-phase matching conditions. This study investigated the directional propagation of waves on stripe and circular one-dimensional grating structures by analyzing the dispersion relationship of the first two eigen modes. Our results demonstrate the efficacy of the proposed scheme in visualizing Bloch surface waves, which could be extended to a variety of other devices.

  14. Two-dimensional directional proton emission in dissociative ionization of H(2).

    PubMed

    Gong, Xiaochun; He, Peilun; Song, Qiying; Ji, Qinying; Pan, Haifeng; Ding, Jingxin; He, Feng; Zeng, Heping; Wu, Jian

    2014-11-14

    An intense phase-controlled orthogonally polarized two-color ultrashort laser pulse is used to singly ionize and dissociate H_{2} into a neutral hydrogen atom and a proton. Emission-direction and kinetic-energy dependent asymmetric dissociation of H_{2} is observed as a function of the relative phase of the orthogonally polarized two-color pulse. Significant asymmetric proton emission is measured in the direction between two polarization axes. Our numerical simulations of the time-dependent Schrödinger equation reproduce many of the observed features. The asymmetry is attributed to the coherent superposition of two-dimensional nuclear wave packets with opposite parities, which have the same energies and overlap in the same emission directions.

  15. Dipolar colloids in apolar media: direct microscopy of two-dimensional suspensions

    PubMed Central

    Janai, Erez; Cohen, Avner P.; Butenko, Alexander V.; Schofield, Andrew B.; Schultz, Moty; Sloutskin, Eli

    2016-01-01

    Spherical colloids, in an absence of external fields, are commonly assumed to interact solely through rotationally-invariant potentials, u(r). While the presence of permanent dipoles in aqueous suspensions has been previously suggested by some experiments, the rotational degrees of freedom of spherical colloids are typically neglected. We prove, by direct experiments, the presence of permanent dipoles in commonly used spherical poly(methyl methacrylate) (PMMA) colloids, suspended in an apolar organic medium. We study, by a combination of direct confocal microscopy, computer simulations, and theory, the structure and other thermodynamical properties of organic suspensions of colloidal spheres, confined to a two-dimensional (2D) monolayer. Our studies reveal the effects of the dipolar interactions on the structure and the osmotic pressure of these fluids. These observations have far-reaching consequences for the fundamental colloidal science, opening new directions in self-assembly of complex colloidal clusters. PMID:27346611

  16. Dipolar colloids in apolar media: direct microscopy of two-dimensional suspensions

    NASA Astrophysics Data System (ADS)

    Janai, Erez; Cohen, Avner P.; Butenko, Alexander V.; Schofield, Andrew B.; Schultz, Moty; Sloutskin, Eli

    2016-06-01

    Spherical colloids, in an absence of external fields, are commonly assumed to interact solely through rotationally-invariant potentials, u(r). While the presence of permanent dipoles in aqueous suspensions has been previously suggested by some experiments, the rotational degrees of freedom of spherical colloids are typically neglected. We prove, by direct experiments, the presence of permanent dipoles in commonly used spherical poly(methyl methacrylate) (PMMA) colloids, suspended in an apolar organic medium. We study, by a combination of direct confocal microscopy, computer simulations, and theory, the structure and other thermodynamical properties of organic suspensions of colloidal spheres, confined to a two-dimensional (2D) monolayer. Our studies reveal the effects of the dipolar interactions on the structure and the osmotic pressure of these fluids. These observations have far-reaching consequences for the fundamental colloidal science, opening new directions in self-assembly of complex colloidal clusters.

  17. Acyclic diterpene glycosides, capsianosides VIII, IX, X, XIII, XV and XVI from the fruits of Paprika Capsicum annuum L. var. grossum BAILEY and Jalapeño Capsicum annuum L. var. annuum.

    PubMed

    Lee, Jong-Hyun; Kiyota, Naoko; Ikeda, Tsuyoshi; Nohara, Toshihiro

    2006-10-01

    Paprika and Jalapeño are used as vegetables and spices. We have obtained six new acyclic diterpene glycosides, called capsianosides XIII (2), XV (3), IX (4), XVI (5), X (6) and VIII (7) together with known capsianoside II (1) from the fruits of the Paprika and Jalapeño. The structures of these compounds have been elucidated by the (1)H- and (13)C-NMR spectra and two-dimensional NMR methods.

  18. Three-dimensional direct cell patterning in collagen hydrogels with near-infrared femtosecond laser

    NASA Astrophysics Data System (ADS)

    Hribar, Kolin C.; Meggs, Kyle; Liu, Justin; Zhu, Wei; Qu, Xin; Chen, Shaochen

    2015-11-01

    We report a methodology for three-dimensional (3D) cell patterning in a hydrogel in situ. Gold nanorods within a cell-encapsulating collagen hydrogel absorb a focused near-infrared femtosecond laser beam, locally denaturing the collagen and forming channels, into which cells migrate, proliferate, and align in 3D. Importantly, pattern resolution is tunable based on writing speed and laser power, and high cell viability (>90%) is achieved using higher writing speeds and lower laser intensities. Overall, this patterning technique presents a flexible direct-write method that is applicable in tissue engineering systems where 3D alignment is critical (such as vascular, neural, cardiac, and muscle tissue).

  19. Direct writing of three-dimensional woodpile BaTiO3 structures

    NASA Astrophysics Data System (ADS)

    Li, Jijiao; Li, Bo; Wu, Hongya; Zhou, Ji

    2014-05-01

    Barium titanate (BaTiO3) woodpile structures with designed, three-dimensional (3D) geometry have been fabricated by direct-writing assembly techniques. Concentrated BaTiO3 inks with suitable rheological properties were prepared to enable the fabrication of the complex 3D structures. It was demonstrated that BaTiO3 inks with a total solids volume fraction of 0.41 are shear thinning and have a high storage modulus 1 × 105Pa with a yield stress of 300 Pa. Additionally, the woodpile lattice structures exhibited an excellent self-supporting feature.

  20. Rapid prototyping of three-dimensional microfluidic mixers in glass by femtosecond laser direct writing.

    PubMed

    Liao, Yang; Song, Jiangxin; Li, En; Luo, Yong; Shen, Yinglong; Chen, Danping; Cheng, Ya; Xu, Zhizhan; Sugioka, Koji; Midorikawa, Katsumi

    2012-02-21

    The creation of complex three-dimensional (3D) microfluidic systems has attracted significant attention from both scientific and applied research communities. However, it is still a formidable challenge to build 3D microfluidic structures with arbitrary configurations using conventional planar lithographic fabrication methods. Here, we demonstrate rapid fabrication of high-aspect-ratio microfluidic channels with various 3D configurations in glass substrates by femtosecond laser direct writing. Based on this approach, we demonstrate a 3D passive microfluidic mixer and characterize its functionalities. This technology will enable rapid construction of complex 3D microfluidic devices for a wide array of lab-on-a-chip applications.

  1. Three-dimensional direct cell patterning in collagen hydrogels with near-infrared femtosecond laser

    PubMed Central

    Hribar, Kolin C.; Meggs, Kyle; Liu, Justin; Zhu, Wei; Qu, Xin; Chen, Shaochen

    2015-01-01

    We report a methodology for three-dimensional (3D) cell patterning in a hydrogel in situ. Gold nanorods within a cell-encapsulating collagen hydrogel absorb a focused near-infrared femtosecond laser beam, locally denaturing the collagen and forming channels, into which cells migrate, proliferate, and align in 3D. Importantly, pattern resolution is tunable based on writing speed and laser power, and high cell viability (>90%) is achieved using higher writing speeds and lower laser intensities. Overall, this patterning technique presents a flexible direct-write method that is applicable in tissue engineering systems where 3D alignment is critical (such as vascular, neural, cardiac, and muscle tissue). PMID:26603915

  2. Three-dimensional hypersonic rarefied flow calculations using direct simulation Monte Carlo method

    NASA Technical Reports Server (NTRS)

    Celenligil, M. Cevdet; Moss, James N.

    1993-01-01

    A summary of three-dimensional simulations on the hypersonic rarefied flows in an effort to understand the highly nonequilibrium flows about space vehicles entering the Earth's atmosphere for a realistic estimation of the aerothermal loads is presented. Calculations are performed using the direct simulation Monte Carlo method with a five-species reacting gas model, which accounts for rotational and vibrational internal energies. Results are obtained for the external flows about various bodies in the transitional flow regime. For the cases considered, convective heating, flowfield structure and overall aerodynamic coefficients are presented and comparisons are made with the available experimental data. The agreement between the calculated and measured results are very good.

  3. Generation of two-dimensional dust vortex flows in a direct current discharge plasma

    SciTech Connect

    Uchida, Giichiro; Iizuka, Satoru; Kamimura, Tetsuo; Sato, Noriyoshi

    2009-05-15

    The two-dimensional dust vortex flows are observed in a direct current discharge plasma near the edge of a metal plate which is situated in the dust-particle levitation region. Applying negative dc potential to the metal plate, dust particles are strongly accelerated toward the metal plate edge, and two symmetric dust vortex flows are generated on both sides of the metal plate. Numerical calculation including the effect of the ion drag force well demonstrates the dust vortex formation as in the experiment. A mechanism of the dust vortex generation could be explained by effect of an asymmetry of ion drag force near the metal plate.

  4. A direct procedure for interpolation on a structured curvilinear two-dimensional grid

    NASA Technical Reports Server (NTRS)

    Zingg, David W.; Yarrow, Maurice

    1989-01-01

    A direct procedure is presented for locally bicubic interpolation on a structured, curvilinear, two-dimensional grid. The physical (Cartesian) space is transformed to a computational space in which the grid is uniform and rectangular by a generalized curvilinear coordinate transformation. Required partial derivative information is obtained by finite differences in the computational space. The partial derivatives in physical space are determined by repeated application of the chain rule for partial differentiation. A bilinear transformation is used to analytically transform the individual quadrilateral cells in physical space into unit squares. The interpolation is performed within each unit square using a piecewise bicubic spline.

  5. Direct numerical simulation of steady state, three dimensional, laminar flow around a wall mounted cube

    NASA Astrophysics Data System (ADS)

    Liakos, Anastasios; Malamataris, Nikolaos

    2014-11-01

    The topology and evolution of flow around a surface mounted cubical object in three dimensional channel flow is examined for low to moderate Reynolds numbers. Direct numerical simulations were performed via a home made parallel finite element code. The computational domain has been designed according to actual laboratory experimental conditions. Analysis of the results is performed using the three dimensional theory of separation. Our findings indicate that a tornado-like vortex by the side of the cube is present for all Reynolds numbers for which flow was simulated. A horse-shoe vortex upstream from the cube was formed at Reynolds number approximately 1266. Pressure distributions are shown along with three dimensional images of the tornado-like vortex and the horseshoe vortex at selected Reynolds numbers. Finally, and in accordance to previous work, our results indicate that the upper limit for the Reynolds number for which steady state results are physically realizable is roughly 2000. Financial support of author NM from the Office of Naval Research Global (ONRG-VSP, N62909-13-1-V016) is acknowledged.

  6. The Dimensional Nature of Externalizing Behaviors in Adolescence: Evidence from a Direct Comparison of Categorical, Dimensional, and Hybrid Models

    ERIC Educational Resources Information Center

    Walton, Kate E.; Ormel, Johan; Krueger, Robert F.

    2011-01-01

    Researchers have recognized the importance of developing an accurate classification system for externalizing disorders, though much of this work has been framed by a priori preferences for categorical vs. dimensional constructs. Newer statistical technologies now allow categorical and dimensional models of psychopathology to be compared…

  7. Controlling Directionality and Dimensionality of Radiation by Perturbing Separable Bound States in the Continuum

    PubMed Central

    Rivera, Nicholas; Hsu, Chia Wei; Zhen, Bo; Buljan, Hrvoje; Joannopoulos, John D.; Soljačić, Marin

    2016-01-01

    A bound state in the continuum (BIC) is an unusual localized state that is embedded in a continuum of extended states. Here, we present the general condition for BICs to arise from wave equation separability. Then we show that by exploiting perturbations of certain symmetry such BICs can be turned into resonances that radiate with a tailorable directionality and dimensionality. Using this general framework, we construct new examples of separable BICs and resonances that can exist in optical potentials for ultracold atoms, photonic systems, and systems described by tight binding. Such resonances with easily reconfigurable radiation allow for applications such as the storage and release of waves at a controllable rate and direction, as well systems that switch between different dimensions of confinement. PMID:27641540

  8. Solution of the exact equations for three-dimensional atmospheric entry using directly matched asymptotic expansions

    NASA Technical Reports Server (NTRS)

    Busemann, A.; Vinh, N. X.; Culp, R. D.

    1976-01-01

    The problem of determining the trajectories, partially or wholly contained in the atmosphere of a spherical, nonrotating planet, is considered. The exact equations of motion for three-dimensional, aerodynamically affected flight are derived. Modified Chapman variables are introduced and the equations are transformed into a set suitable for analytic integration using asymptotic expansions. The trajectory is solved in two regions: the outer region, where the force may be considered a gravitational field with aerodynamic perturbations, and the inner region, where the force is predominantly aerodynamic, with gravity as a perturbation. The two solutions are matched directly. A composite solution, valid everywhere, is constructed by additive composition. This approach of directly matched asymptotic expansions applied to the exact equations of motion couched in terms of modified Chapman variables yields an analytical solution which should prove to be a powerful tool for aerodynamic orbit calculations.

  9. On-chip three-dimensional high-Q microcavities fabricated by femtosecond laser direct writing.

    PubMed

    Lin, Jintian; Yu, Shangjie; Ma, Yaoguang; Fang, Wei; He, Fei; Qiao, Lingling; Tong, Limin; Cheng, Ya; Xu, Zhizhan

    2012-04-23

    We report on the fabrication of three-dimensional (3D) high-Q whispering gallery microcavities on a fused silica chip by femtosecond laser microfabriction, enabled by the 3D nature of femtosecond laser direct writing. The processing mainly consists of formation of freestanding microdisks by femtosecond laser direct writing and subsequent wet chemical etching. CO(2) laser annealing is followed to smooth the microcavity surface. Microcavities with arbitrary tilting angle, lateral and vertical positioning are demonstrated, and the quality (Q)-factor of a typical microcavity is measured to be up to 1.07 × 10(6), which is currently limited by the low spatial resolution of the motion stage used during the laser patterning and can be improved with motion stages of higher resolutions.

  10. Three-dimensional multiscale modeling of dendritic spacing selection during Al-Si directional solidification

    SciTech Connect

    Tourret, Damien; Clarke, Amy J.; Imhoff, Seth D.; Gibbs, Paul J.; Gibbs, John W.; Karma, Alain

    2015-05-27

    We present a three-dimensional extension of the multiscale dendritic needle network (DNN) model. This approach enables quantitative simulations of the unsteady dynamics of complex hierarchical networks in spatially extended dendritic arrays. We apply the model to directional solidification of Al-9.8 wt.%Si alloy and directly compare the model predictions with measurements from experiments with in situ x-ray imaging. The focus is on the dynamical selection of primary spacings over a range of growth velocities, and the influence of sample geometry on the selection of spacings. Simulation results show good agreement with experiments. The computationally efficient DNN model opens new avenues for investigating the dynamics of large dendritic arrays at scales relevant to solidification experiments and processes.

  11. Two-dimensional SiP: an unexplored direct band-gap semiconductor

    NASA Astrophysics Data System (ADS)

    Zhang, Shengli; Guo, Shiying; Huang, Yaxin; Zhu, Zhen; Cai, Bo; Xie, Meiqiu; Zhou, Wenhan; Zeng, Haibo

    2017-03-01

    Inspired by successful synthesis of layered SiP single crystals in experiments, we explore their structures, electronic properties, and stability using first-principles calculations. The interlayer interaction in layered SiP crystal is weak, thus mechanical exfoliation is viable. We find that SiP undergoes a transition from an indirect band gap to a direct band gap of 2.59 eV when thinned from bulk to a monolayer. Our calculations also show that SiP monolayers are both dynamically and thermodynamically stable even at elevated temperatures. Monolayer SiP, with simultaneously high stability and a large direct band gap, is a promising candidate for two-dimensional blue light emitting diodes.

  12. Vorticity statistics in the direct cascade of two-dimensional turbulence.

    PubMed

    Falkovich, Gregory; Lebedev, Vladimir

    2011-04-01

    For the direct cascade of steady two-dimensional (2D) Navier-Stokes turbulence, we derive analytically the probability of strong vorticity fluctuations. When ϖ is the vorticity coarse-grained over a scale R, the probability density function (PDF), P(ϖ), has a universal asymptotic behavior lnP~-ϖ/ϖ(rms) at ϖ≫ϖ(rms)=[Hln(L/R)](1/3), where H is the enstrophy flux and L is the pumping length. Therefore, the PDF has exponential tails and is self-similar, that is, it can be presented as a function of a single argument, ϖ/ϖ(rms), in distinction from other known direct cascades.

  13. Three-dimensional multiscale modeling of dendritic spacing selection during Al-Si directional solidification

    DOE PAGES

    Tourret, Damien; Clarke, Amy J.; Imhoff, Seth D.; ...

    2015-05-27

    We present a three-dimensional extension of the multiscale dendritic needle network (DNN) model. This approach enables quantitative simulations of the unsteady dynamics of complex hierarchical networks in spatially extended dendritic arrays. We apply the model to directional solidification of Al-9.8 wt.%Si alloy and directly compare the model predictions with measurements from experiments with in situ x-ray imaging. The focus is on the dynamical selection of primary spacings over a range of growth velocities, and the influence of sample geometry on the selection of spacings. Simulation results show good agreement with experiments. The computationally efficient DNN model opens new avenues formore » investigating the dynamics of large dendritic arrays at scales relevant to solidification experiments and processes.« less

  14. Acyclic cucurbit[n]uril molecular containers enhance the solubility and bioactivity of poorly soluble pharmaceuticals

    NASA Astrophysics Data System (ADS)

    Ma, Da; Hettiarachchi, Gaya; Nguyen, Duc; Zhang, Ben; Wittenberg, James B.; Zavalij, Peter Y.; Briken, Volker; Isaacs, Lyle

    2012-06-01

    The solubility characteristics of 40-70% of new drug candidates are so poor that they cannot be formulated on their own, so new methods for increasing drug solubility are highly prized. Here, we describe a new class of general-purpose solubilizing agents—acyclic cucurbituril-type containers—which increase the solubility of ten insoluble drugs by a factor of between 23 and 2,750 by forming container-drug complexes. The containers exhibit low in vitro toxicity in human liver, kidney and monocyte cell lines, and outbred Swiss Webster mice tolerate high doses of the container without sickness or weight loss. Paclitaxel solubilized by the acyclic cucurbituril-type containers kills cervical and ovarian cancer cells more efficiently than paclitaxel alone. The acyclic cucurbituril-type containers preferentially bind cationic and aromatic drugs, but also solubilize neutral drugs such as paclitaxel, and represent an attractive extension of cyclodextrin-based technology for drug solubilization and delivery.

  15. Some biochemical properties of an acyclic oligonucleotide analogue. A plausible ancestor of the DNA?

    NASA Astrophysics Data System (ADS)

    Merle, Liliane; Spach, Gérard; Merle, Yves; Sági, János; Szemzö, Attila

    1993-04-01

    As acyclic oligonucleotides have been suggested as a primitive model of DNA or RNA in prebiotic times, we compared some biochemical properties of these analogues to that of natural ones. Firstly, an acyclic analogue of deoxyribonucleoside triphosphates was tested as a potential substrate of enzymes intervening in nucleic acids synthesis. GlyTTP, a dTTP analogue with a missing 2'-methylene group is notaccepted as a substrate by either DNA polymerase or deoxynucleotidyl terminal transferase (TdT). Secondly, themodified dodecathymidylate (GlyT)12, the racemic acyclic sugar analogue of (dT)12, proved to be anefficient primer for DNA polymerase and TdT, though the associative properties of (GlyT)12 are very weak as shown by UV spectroscopy in phosphate buffer without magnesium chloride. But (GlyT)12 has the advantage to be 500-times more stable against hydrolysis by snake venom phosphodiesterase than the corresponding oligothymidylate.

  16. Direct Imaging of a Two-Dimensional Silica Glass on Graphene

    NASA Astrophysics Data System (ADS)

    Huang, P. Y.; Kurasch, S.; Srivastava, A.; Skakalova, V.; Kotakoski, J.; Krasheninnikov, A. V.; Hovden, R. M.; Mao, Q.; Meyer, J. C.; Smet, J.; Muller, D. A.; Kaiser, U.

    2012-02-01

    Large-area graphene substrates [1] are a promising lab bench for synthesizing and characterizing novel low-dimensional materials such as two-dimensional (2D) glasses. Unlike 2D crystals such as graphene, 2D glasses are almost entirely unexplored--yet they have enormous applicability for understanding amorphous structures, which are difficult to probe in 3D. We report direct observations of the structure of an amorphous 2D silica supported on graphene. To our knowledge, these results represent the first discovery of an extended 2D glass. The 2D glass enables aberration-corrected scanning transmission electron microscopy and spectroscopy, producing the first atomically-resolved experimental images of a glass. The images strikingly resemble Zachariasen's seminal 1932 cartoons of a 2D continuous random network glass [2] and allow direct structural analyses not possible in 3D glassy materials. DFT calculations indicate that van der Waals interactions with graphene energetically favor the 2D structure over bulk SiO2, suggesting that graphene can be instrumental in stabilizing new 2D materials. [1] J. C. Meyer et al., Nature 454, 319--322 (2008). [2] W. H. Zachariasen, J. Am. Chem. Soc. 54, 3841--3851 (1932).

  17. Directly measuring of thermal pulse transfer in one-dimensional highly aligned carbon nanotubes

    PubMed Central

    Zhang, Guang; Liu, Changhong; Fan, Shoushan

    2013-01-01

    Using a simple and precise instrument system, we directly measured the thermo-physical properties of one-dimensional highly aligned carbon nanotubes (CNTs). A kind of CNT-based macroscopic materials named super aligned carbon nanotube (SACNT) buckypapers was measured in our experiment. We defined a new one-dimensional parameter, the “thermal transfer speed” to characterize the thermal damping mechanisms in the SACNT buckypapers. Our results indicated that the SACNT buckypapers with different densities have obviously different thermal transfer speeds. Furthermore, we found that the thermal transfer speed of high-density SACNT buckypapers may have an obvious damping factor along the CNTs aligned direction. The anisotropic thermal diffusivities of SACNT buckypapers could be calculated by the thermal transfer speeds. The thermal diffusivities obviously increase as the buckypaper-density increases. For parallel SACNT buckypapers, the thermal diffusivity could be as high as 562.2 ± 55.4 mm2/s. The thermal conductivities of these SACNT buckypapers were also calculated by the equation k = Cpαρ. PMID:23989589

  18. Acyclic monoterpenes in tree essential oils as a shrinking agent for waste-expanded polystyrene.

    PubMed

    Shimotori, Yasutaka; Hattori, Kazuyuki; Aoyama, Masakazu; Miyakoshi, Tetsuo

    2011-01-01

    We examined the dissolution of polystyrene (PS) into acyclic monoterpenes present in tree essential oils, to develop an environmentally friendly shrinking agent for waste-expanded polystyrene (EPS). The dissolving powers of geranyl acetate, geranylacetone, and geranyl formate [221.8-241.2 g PS (100 g solvent)(-1)] compared favorably with that of (R)-limonene [181.7 g PS (100 g solvent)(-1)]. Their favorable dissolving powers for PS can be explained by their flexible linear structures, which may be more accessible to the inside of bulk PS compared with cyclic monoterpenes. These acyclic monoterpenes and PS were recovered almost quantitatively by simple steam distillation of the PS solution.

  19. Synthesis of antisense oligonucleotides containing acyclic alkynyl nucleoside analogs and their biophysical and biological properties.

    PubMed

    Ogata, Aya; Maeda, Yusuke; Ueno, Yoshihito

    2017-04-01

    The synthesis of oligonucleotide (ON) analogs, which can be used as antisense molecules, has recently gained much attention. Here, we report the synthesis and properties of an ON analog containing acyclic thymidine and cytidine analogs with a 4-pentyl-1,2-diol instead of the d-ribofuranose moiety. The incorporation of these analogs into the ON improved its nuclease resistance to 3'-exonucleases. Furthermore, it was found that the incorporation of the acyclic thymidine analog into a DNA/RNA duplex accelerates the RNA cleavage of a DNA/RNA duplex by Escherichia coli RNase H.

  20. Direct Writing of Three-Dimensional Macroporous Photonic Crystals on Pressure-Responsive Shape Memory Polymers.

    PubMed

    Fang, Yin; Ni, Yongliang; Leo, Sin-Yen; Wang, Bingchen; Basile, Vito; Taylor, Curtis; Jiang, Peng

    2015-10-28

    Here we report a single-step direct writing technology for making three-dimensional (3D) macroporous photonic crystal patterns on a new type of pressure-responsive shape memory polymer (SMP). This approach integrates two disparate fields that do not typically intersect: the well-established templating nanofabrication and shape memory materials. Periodic arrays of polymer macropores templated from self-assembled colloidal crystals are squeezed into disordered arrays in an unusual shape memory "cold" programming process. The recovery of the original macroporous photonic crystal lattices can be triggered by direct writing at ambient conditions using both macroscopic and nanoscopic tools, like a pencil or a nanoindenter. Interestingly, this shape memory disorder-order transition is reversible and the photonic crystal patterns can be erased and regenerated hundreds of times, promising the making of reconfigurable/rewritable nanooptical devices. Quantitative insights into the shape memory recovery of collapsed macropores induced by the lateral shear stresses in direct writing are gained through fundamental investigations on important process parameters, including the tip material, the critical pressure and writing speed for triggering the recovery of the deformed macropores, and the minimal feature size that can be directly written on the SMP membranes. Besides straightforward applications in photonic crystal devices, these smart mechanochromic SMPs that are sensitive to various mechanical stresses could render important technological applications ranging from chromogenic stress and impact sensors to rewritable high-density optical data storage media.

  1. Omnidirectional multiview three-dimensional display based on direction-selective light-emitting diode array

    NASA Astrophysics Data System (ADS)

    Yan, Caijie; Liu, Xu; Liu, Di; Xie, Jing; Xia, Xin Xing; Li, Haifeng

    2011-03-01

    A volumetric display system based on a rotating light-emitting diode (LED) array panel can realize a three-dimensional (3-D) display truthfully in the space, but the drawback is missing the occlusion of a 3-D image. We propose an omnidirectional 3-D display with correct occlusion based on a direction-selective LED array panel, which is realized by setting a direction-convergent diaphragm array in front of the LED array. Every diaphragm restricts a light-emitting characteristic of every LED. By using direction-convergent diaphragm array, the observer around the display system can only see one image displayed by the LED array at the corresponding position. With the high-speed rotation of the LED panel, a series of views of a 3-D scene are displayed every angle patch in one circle. We set up an acquisition system to record 180 views of the 3-D scene with a rotating camera along a circle, and then the 180 images are displayed sequentially on the rotating direction-selective LED array to get a 360 deg 3-D display. This 3-D display technology has two main advantages: easy to get viewer-position-dependent correct occlusion and simplify the 3-D data preprocessing process which is helpful to real-time 3-D display.

  2. Direct-write Bioprinting Three-Dimensional Biohybrid Systems for Future Regenerative Therapies

    PubMed Central

    Chang, Carlos C.; Boland, Eugene D.; Williams, Stuart K.; Hoying, James B.

    2013-01-01

    Regenerative medicine seeks to repair or replace dysfunctional tissues with engineered biological or biohybrid systems. Current clinical regenerative models utilize simple uniform tissue constructs formed with cells cultured onto biocompatible scaffolds. Future regenerative therapies will require the fabrication of complex three-dimensional constructs containing multiple cell types and extracellular matrices. We believe bioprinting technologies will provide a key role in the design and construction of future engineered tissues for cell-based and regenerative therapies. This review describes the current state-of-the-art bioprinting technologies, focusing on direct-write bioprinting. We describe a number of process and device considerations for successful bioprinting of composite biohybrid constructs. In addition, we have provided baseline direct-write printing parameters for a hydrogel system (Pluronic F127) often used in cardiovascular applications. Direct-write dispensed lines (gels with viscosities ranging from 30 mPa*s to greater than 600×106 mPa*s) were measured following mechanical and pneumatic printing via three commercially available needle sizes (20ga, 25ga, and 30ga). Example patterns containing microvascular cells and isolated microvessel fragments were also bioprinted into composite 3D structures. Cells and vessel fragments remained viable and maintained in vitro behavior after incorporation into biohybrid structures. Direct-write bioprinting of biologicals provides a unique method to design and fabricate complex, multi-component 3D structures for experimental use. We hope our design insights and baseline parameter descriptions of direct-write bioprinting will provide a useful foundation for colleagues to incorporate this 3D fabrication method into future regenerative therapies. PMID:21504055

  3. Three dimensional graphene transistor for ultra-sensitive pH sensing directly in biological media.

    PubMed

    Ameri, Shideh Kabiri; Singh, Pramod K; Sonkusale, Sameer R

    2016-08-31

    In this work, pH sensing directly in biological media using three dimensional liquid gated graphene transistors is presented. The sensor is made of suspended network of graphene coated all around with thin layer of hafnium oxide (HfO2), showing high sensitivity and sensing beyond the Debye-screening limit. The performance of the pH sensor is validated by measuring the pH of isotonic buffered, Dulbecco's phosphate buffered saline (DPBS) solution, and of blood serum derived from Sprague-Dawley rat. The pH sensor shows high sensitivity of 71 ± 7 mV/pH even in high ionic strength media with molarities as high as 289 ± 1 mM. High sensitivity of this device is owing to suspension of three dimensional graphene in electrolyte which provides all around liquid gating of graphene, leading to higher electrostatic coupling efficiency of electrolyte to the channel and higher gating control of transistor channel by ions in the electrolyte. Coating graphene with hafnium oxide film (HfO2) provides binding sites for hydrogen ions, which results in higher sensitivity and sensing beyond the Debye-screening limit. The 3D graphene transistor offers the possibility of real-time pH measurement in biological media without the need for desaltation or sample preparation.

  4. Direct evidence for three-dimensional off-axis trapping with single Laguerre-Gaussian beam

    PubMed Central

    Otsu, T.; Ando, T.; Takiguchi, Y.; Ohtake, Y.; Toyoda, H.; Itoh, H.

    2014-01-01

    Optical tweezers are often applied to control the dynamics of objects by scanning light. However, there is a limitation that objects fail to track the scan when the drag exceeds the trapping force. In contrast, Laguerre-Gaussian (LG) beams can directly control the torque on objects and provide a typical model for nonequilibrium systems such as Brownian motion under external fields. Although stable “mid-water” trapping is essential for removing extrinsic hydrodynamic effects in such studies, three-dimensional trapping by LG beams has not yet been clearly established. Here we report the three-dimensional off-axis trapping of dielectric spheres using high-quality LG beams generated by a special holographic method. The trapping position was estimated as ~ half the wavelength behind the beam waist. These results establish the scientific groundwork of LG trapping and the technical basis of calibrating optical torque to provide powerful tools for studying energy-conversion mechanisms and the nonequilibrium nature of biological molecules under torque. PMID:24694781

  5. Direct imaging of a two-dimensional silica glass on graphene.

    PubMed

    Huang, Pinshane Y; Kurasch, Simon; Srivastava, Anchal; Skakalova, Viera; Kotakoski, Jani; Krasheninnikov, Arkady V; Hovden, Robert; Mao, Qingyun; Meyer, Jannik C; Smet, Jurgen; Muller, David A; Kaiser, Ute

    2012-02-08

    Large-area graphene substrates provide a promising lab bench for synthesizing, manipulating, and characterizing low-dimensional materials, opening the door to high-resolution analyses of novel structures, such as two-dimensional (2D) glasses, that cannot be exfoliated and may not occur naturally. Here, we report the accidental discovery of a 2D silica glass supported on graphene. The 2D nature of this material enables the first atomic resolution transmission electron microscopy of a glass, producing images that strikingly resemble Zachariasen's original 1932 cartoon models of 2D continuous random network glasses. Atomic-resolution electron spectroscopy identifies the glass as SiO(2) formed from a bilayer of (SiO(4))(2-) tetrahedra and without detectable covalent bonding to the graphene. From these images, we directly obtain ring statistics and pair distribution functions that span short-, medium-, and long-range order. Ab initio calculations indicate that van der Waals interactions with graphene energetically stabilizes the 2D structure with respect to bulk SiO(2). These results demonstrate a new class of 2D glasses that can be applied in layered graphene devices and studied at the atomic scale.

  6. Three-dimensional anode engineering for the direct methanol fuel cell

    NASA Astrophysics Data System (ADS)

    Bauer, A.; Oloman, C. W.; Gyenge, E. L.

    Catalyzed graphite felt three-dimensional anodes were investigated in direct methanol fuel cells (DMFCs) operated with sulfuric acid supporting electrolyte. With a conventional serpentine channel flow field the preferred anode thickness was 100 μm, while a novel flow-by anode showed the best performance with a thickness of 200-300 μm. The effects of altering the methanol concentration, anolyte flow rate and operating temperature on the fuel cell superficial power density were studied by full (2 3 + 1) factorial experiments on a cell with anode area of 5 cm 2 and excess oxidant O 2 at 200 kPa(abs). For operation in the flow-by mode with 2 M methanol at 2 cm 3 min -1 and 353 K the peak power density was 2380 W m -2 with a PtRuMo anode catalyst, while a PtRu catalyst yielded 2240 W m -2 under the same conditions.

  7. Preparing two-dimensional nano-catalytic combustion patterns using direct inkjet printing

    NASA Astrophysics Data System (ADS)

    Luo, Xi; Zeng, Zhigang; Wang, Xiaohong; Xiao, Jinhua; Gan, Zhongxue; Wu, Hao; Hu, Zhiyu

    2014-12-01

    Two-dimensional catalytic combustion patterns, which can be used as heat source in micro-nano scale MEMS devices such as gas sensor and micro-generator, are fabricated by inkjet printing (IJP). The performances of the catalytic patterns are evaluated by both traditional catalytic activity measurement and infrared thermography (IR) camera. Results show that ultra-low (0.014 mg cm-2) loading and high utilizing (34,710 mW mg-1) of Pt catalysts can be achieved by inkjet printing method. Spontaneous combustion is also observed for the printed Pt/Al2O3 powder membrane at rather low initiation temperature and small scale. The IR camera analysis indicates the uniform temperature distribution and rapid temperature response of the micro-patterned catalyst surface. With the advantages of the inkjet printing, this new direct-write method would, in principle, open up possibilities of these special catalyst patterns serving as micro energy sources for MEMS applications.

  8. Three-dimensional Dendritic Needle Network model with application to Al-Cu directional solidification experiments

    SciTech Connect

    Tourret, D.; Karma, A.; Clarke, A. J.; Gibbs, P. J.; Imhoff, S. D.

    2015-06-11

    We present a three-dimensional (3D) extension of a previously proposed multi-scale Dendritic Needle Network (DNN) approach for the growth of complex dendritic microstructures. Using a new formulation of the DNN dynamics equations for dendritic paraboloid-branches of a given thickness, one can directly extend the DNN approach to 3D modeling. We validate this new formulation against known scaling laws and analytical solutions that describe the early transient and steady-state growth regimes, respectively. Finally, we compare the predictions of the model to in situ X-ray imaging of Al-Cu alloy solidification experiments. The comparison shows a very good quantitative agreement between 3D simulations and thin sample experiments. It also highlights the importance of full 3D modeling to accurately predict the primary dendrite arm spacing that is significantly over-estimated by 2D simulations.

  9. Direct simulation of three-dimensional flow about the AFE vehicle at high altitudes

    NASA Technical Reports Server (NTRS)

    Celenligil, M. Cevdet; Moss, James N.; Bird, Graeme A.

    1988-01-01

    Three-dimensional hypersonic rarefied flow about the Aeroassist Flight Experiment (AFE) vehicle was studied using the direct simulation Monte Carlo (DSMC) technique. Results are presented for the transitional flow regime encountered between 120 and 200 km altitudes with a reentry velocity of 9.92 km/s. In the simulations, a five-species reacting real-gas model that accounts for internal energies (rotational and vibrational) is used. The results indicate that the transitional effects are significant even at an altitude of 200 km and influence the overall vehicle aerodynamics. For the cases considered, the aerodynamic coefficients, surface pressures, convective heating, and flow field structure variations with rarefaction effects are presented.

  10. Piezoelectric two-dimensional nanosheets/anionic layer heterojunction for efficient direct current power generation

    PubMed Central

    Kim, Kwon-Ho; Kumar, Brijesh; Lee, Keun Young; Park, Hyun-Kyu; Lee, Ju-Hyuck; Lee, Hyun Hwi; Jun, Hoin; Lee, Dongyun; Kim, Sang-Woo

    2013-01-01

    Direct current (DC) piezoelectric power generator is promising for the miniaturization of a power package and self-powering of nanorobots and body-implanted devices. Hence, we report the first use of two-dimensional (2D) zinc oxide (ZnO) nanostructure and an anionic nanoclay layer to generate piezoelectric DC output power. The device, made from 2D nanosheets and an anionic nanoclay layer heterojunction, has potential to be the smallest size power package, and could be used to charge wireless nano/micro scale systems without the use of rectifier circuits to convert alternating current into DC to store the generated power. The combined effect of buckling behaviour of the ZnO nanosheets, a self-formed anionic nanoclay layer, and coupled semiconducting and piezoelectric properties of ZnO nanosheets contributes to efficient DC power generation. The networked ZnO nanosheets proved to be structurally stable under huge external mechanical loads. PMID:23774788

  11. Direct exfoliation and dispersion of two-dimensional materials in pure water via temperature control

    PubMed Central

    Kim, Jinseon; Kwon, Sanghyuk; Cho, Dae-Hyun; Kang, Byunggil; Kwon, Hyukjoon; Kim, Youngchan; Park, Sung O.; Jung, Gwan Yeong; Shin, Eunhye; Kim, Wan-Gu; Lee, Hyungdong; Ryu, Gyeong Hee; Choi, Minseok; Kim, Tae Hyeong; Oh, Junghoon; Park, Sungjin; Kwak, Sang Kyu; Yoon, Suk Wang; Byun, Doyoung; Lee, Zonghoon; Lee, Changgu

    2015-01-01

    The high-volume synthesis of two-dimensional (2D) materials in the form of platelets is desirable for various applications. While water is considered an ideal dispersion medium, due to its abundance and low cost, the hydrophobicity of platelet surfaces has prohibited its widespread use. Here we exfoliate 2D materials directly in pure water without using any chemicals or surfactants. In order to exfoliate and disperse the materials in water, we elevate the temperature of the sonication bath, and introduce energy via the dissipation of sonic waves. Storage stability greater than one month is achieved through the maintenance of high temperatures, and through atomic and molecular level simulations, we further discover that good solubility in water is maintained due to the presence of platelet surface charges as a result of edge functionalization or intrinsic polarity. Finally, we demonstrate inkjet printing on hard and flexible substrates as a potential application of water-dispersed 2D materials. PMID:26369895

  12. Preparation of reactive three-dimensional microstructures via direct laser writing and thiol-ene chemistry.

    PubMed

    Quick, Alexander S; Fischer, Joachim; Richter, Benjamin; Pauloehrl, Thomas; Trouillet, Vanessa; Wegener, Martin; Barner-Kowollik, Christopher

    2013-02-25

    Three-dimensional microstructures are fabricated employing the direct laser writing process and radical thiol-ene polymerization. The resin system consists of a two-photon photoinitiator and multifunctional thiols and olefins. Woodpile photonic crystals with 22 layers and a rod distance of 2 μm are fabricated. The structures are characterized via scanning electron microscopy and focused ion beam milling. The thiol-ene polymerization during fabrication is verified via infrared spectroscopy. The structures are grafted in a subsequent thiol-Michael addition reaction with different functional maleimides. The success of the grafting reaction is evaluated via laser scanning microscopy and X-ray photoelectron spectroscopy. The grafting density is calculated to be close to 200 molecules μm(-2) .

  13. Three-dimensional Dendritic Needle Network model with application to Al-Cu directional solidification experiments

    DOE PAGES

    Tourret, D.; Karma, A.; Clarke, A. J.; ...

    2015-06-11

    We present a three-dimensional (3D) extension of a previously proposed multi-scale Dendritic Needle Network (DNN) approach for the growth of complex dendritic microstructures. Using a new formulation of the DNN dynamics equations for dendritic paraboloid-branches of a given thickness, one can directly extend the DNN approach to 3D modeling. We validate this new formulation against known scaling laws and analytical solutions that describe the early transient and steady-state growth regimes, respectively. Finally, we compare the predictions of the model to in situ X-ray imaging of Al-Cu alloy solidification experiments. The comparison shows a very good quantitative agreement between 3D simulationsmore » and thin sample experiments. It also highlights the importance of full 3D modeling to accurately predict the primary dendrite arm spacing that is significantly over-estimated by 2D simulations.« less

  14. Direct exfoliation and dispersion of two-dimensional materials in pure water via temperature control

    NASA Astrophysics Data System (ADS)

    Kim, Jinseon; Kwon, Sanghyuk; Cho, Dae-Hyun; Kang, Byunggil; Kwon, Hyukjoon; Kim, Youngchan; Park, Sung O.; Jung, Gwan Yeong; Shin, Eunhye; Kim, Wan-Gu; Lee, Hyungdong; Ryu, Gyeong Hee; Choi, Minseok; Kim, Tae Hyeong; Oh, Junghoon; Park, Sungjin; Kwak, Sang Kyu; Yoon, Suk Wang; Byun, Doyoung; Lee, Zonghoon; Lee, Changgu

    2015-09-01

    The high-volume synthesis of two-dimensional (2D) materials in the form of platelets is desirable for various applications. While water is considered an ideal dispersion medium, due to its abundance and low cost, the hydrophobicity of platelet surfaces has prohibited its widespread use. Here we exfoliate 2D materials directly in pure water without using any chemicals or surfactants. In order to exfoliate and disperse the materials in water, we elevate the temperature of the sonication bath, and introduce energy via the dissipation of sonic waves. Storage stability greater than one month is achieved through the maintenance of high temperatures, and through atomic and molecular level simulations, we further discover that good solubility in water is maintained due to the presence of platelet surface charges as a result of edge functionalization or intrinsic polarity. Finally, we demonstrate inkjet printing on hard and flexible substrates as a potential application of water-dispersed 2D materials.

  15. Whistlers and plasmaspheric hiss: Wave directions and three-dimensional propagation

    SciTech Connect

    Draganov, A.B.; Inan, U.S.; Sonwalkar, V.S.; Bell, T.F.

    1993-07-01

    Wave data from the DE 1 satellite showing simultaneously nonducted whistlers and hiss are analyzed to determine wave propagation directions. At L = 3.8 and a geographic latitude of {lambda}{sub g} = 12{degrees}S, the average wave normal directions of discrete whistlers are measured to be {approximately}51{degrees} for f = 4.5 kHz and {approximately}60{degrees} for f = 3.5 kHz, forming a small (<20{degrees}) angle with the magnetic meridional plane. Hiss wave normal angles are determined as {approximately}70{degrees} and {approximately}77{degrees} for f = 3.5 kHz and f = 2.5 kHz, respectively, with the wave vector being almost perpendicular to the meridional plane. While the measured wave normal angles of whistlers and hiss are consistent with generation of hiss by magnetospheric whistlers, existence of a significant azimuthal component indicates that further assessment of this connection must be based on three-dimensional ray tracing. A new approximate analytical formulation of three-dimensional propagation of whistler waves is developed and used to model the drift of magnetospherically reflected whistlers in azimuth. The results show that depending on initial parameters, the time of arrival of whistler rays at a fixed observation point can differ by 10-20 s, with signals from different magnetospherically reflected whistlers overlapping to evolve into a hiss like signal. The total azimuthal drift of whistler rays is found to not exceed {approximately}30{degrees}, so that plasmaspheric hiss may be produced by nonducted whistlers at longitudes correlated with the location of thunderstorm activity. 22 refs., 11 figs.

  16. Acyclic and star colorings of joins of graphs and an algorithm for cographs.

    SciTech Connect

    Lyons, A.; Mathematics and Computer Science; Univ. of Chicago

    2009-01-01

    An acyclic coloring of a graph is a proper vertex coloring such that the subgraph induced by the union of any two color classes is a disjoint collection of trees. The more restricted notion of star coloring requires that the union of any two color classes induces a disjoint collection of stars. The acyclic and star chromatic numbers of a graph G are defined analogously to the chromatic number {chi}(G) and are denoted by {chi}{sub a}(G) and {chi}{sub s}(G), respectively. In this paper, we consider acyclic and star colorings of graphs that are decomposable with respect to the join operation, which builds a new graph from a collection of two or more disjoint graphs by adding all possible edges between them. In particular, we present a recursive formula for the acyclic chromatic number of joins of graphs and show that a similar formula holds for the star chromatic number. We also demonstrate the algorithmic implications of our results for the cographs, which have the unique property that they are recursively decomposable with respect to the join and disjoint union operations.

  17. Acyclic water pentamer induces novel supramolecular ribbed sheet: Cooperativity and competitiveness of weak and covalent forces?

    NASA Astrophysics Data System (ADS)

    Jana, Atish Dipankar; Saha, Rajat; Mostafa, Golam

    2010-03-01

    The 1D chain complex [{Cu(II)(bpp)(malonate)(H 2O)}(H 2O) 4] n ( 1) (bpp = 1,3-bis(4-pyridyl)propane) self-assembles to form a 2D ribbed sheet stabilized by an acyclic pentameric water cluster, which in turn, influences the conformation of the bpp ligand.

  18. Acyclic sulfides, garlicnins L-1-L-4, E, and F, from Allium sativum.

    PubMed

    Nohara, Toshihiro; Fujiwara, Yukio; Ikeda, Tsuyoshi; Yamaguchi, Koki; Manabe, Hideyuki; Murakami, Kotaro; Ono, Masateru; Nakano, Daisuke; Kinjo, Junei

    2014-01-01

    Six novel acyclic sulfides, named garlicnins L-1-L-4 (1-4), E (5), and F (6), were isolated from the acetone extracts, with the ability to suppress M2 macrophage activation, of the bulbs of garlic (Allium sativum L.), and their chemical structures were characterized.

  19. Alteration in substrate specificity of horse liver alcohol dehydrogenase by an acyclic nicotinamide analog of NAD(+).

    PubMed

    Malver, Olaf; Sebastian, Mina J; Oppenheimer, Norman J

    2014-11-01

    A new, acyclic NAD-analog, acycloNAD(+) has been synthesized where the nicotinamide ribosyl moiety has been replaced by the nicotinamide (2-hydroxyethoxy)methyl moiety. The chemical properties of this analog are comparable to those of β-NAD(+) with a redox potential of -324mV and a 341nm λmax for the reduced form. Both yeast alcohol dehydrogenase (YADH) and horse liver alcohol dehydrogenase (HLADH) catalyze the reduction of acycloNAD(+) by primary alcohols. With HLADH 1-butanol has the highest Vmax at 49% that of β-NAD(+). The primary deuterium kinetic isotope effect is greater than 3 indicating a significant contribution to the rate limiting step from cleavage of the carbon-hydrogen bond. The stereochemistry of the hydride transfer in the oxidation of stereospecifically deuterium labeled n-butanol is identical to that for the reaction with β-NAD(+). In contrast to the activity toward primary alcohols there is no detectable reduction of acycloNAD(+) by secondary alcohols with HLADH although these alcohols serve as competitive inhibitors. The net effect is that acycloNAD(+) has converted horse liver ADH from a broad spectrum alcohol dehydrogenase, capable of utilizing either primary or secondary alcohols, into an exclusively primary alcohol dehydrogenase. This is the first example of an NAD analog that alters the substrate specificity of a dehydrogenase and, like site-directed mutagenesis of proteins, establishes that modifications of the coenzyme distance from the active site can be used to alter enzyme function and substrate specificity. These and other results, including the activity with α-NADH, clearly demonstrate the promiscuity of the binding interactions between dehydrogenases and the riboside phosphate of the nicotinamide moiety, thus greatly expanding the possibilities for the design of analogs and inhibitors of specific dehydrogenases.

  20. Direct Simulation of Evolution and Control of Three-Dimensional Instabilities in Attachment-Line Boundary Layers

    NASA Technical Reports Server (NTRS)

    Joslin, Ronald D.

    1995-01-01

    The spatial evolution of three-dimensional disturbances in an attachment-line boundary layer is computed by direct numerical simulation of the unsteady, incompressible Navier-Stokes equations. Disturbances are introduced into the boundary layer by harmonic sources that involve unsteady suction and blowing through the wall. Various harmonic- source generators are implemented on or near the attachment line, and the disturbance evolutions are compared. Previous two-dimensional simulation results and nonparallel theory are compared with the present results. The three-dimensional simulation results for disturbances with quasi-two-dimensional features indicate growth rates of only a few percent larger than pure two-dimensional results; however, the results are close enough to enable the use of the more computationally efficient, two-dimensional approach. However, true three-dimensional disturbances are more likely in practice and are more stable than two-dimensional disturbances. Disturbances generated off (but near) the attachment line spread both away from and toward the attachment line as they evolve. The evolution pattern is comparable to wave packets in at-plate boundary-layer flows. Suction stabilizes the quasi-two-dimensional attachment-line instabilities, and blowing destabilizes these instabilities; these results qualitatively agree with the theory. Furthermore, suction stabilizes the disturbances that develop off the attachment line. Clearly, disturbances that are generated near the attachment line can supply energy to attachment-line instabilities, but suction can be used to stabilize these instabilities.

  1. Study on follicular characteristics, hormonal and biochemical profile in norgestomet+PMSG treated acyclic buffaloes

    PubMed Central

    Jerome, A.; Srivastava, S. K.; Sharma, R. K.

    2016-01-01

    This research was conducted to study the follicular dynamics, hormonal, biochemical profile and fertility response in acyclic and norgestomet+PMSG treated acyclic buffaloes in summer. The study animals were divided into two groups: group I [control (n=8): no treatment] and II [treatment group (n=15)]. In group II, seven animals were used for follicular biochemical and hormonal profile and eight animals for fertility studies following Crestar® (Intervet, France) treatment (day 0: Crestar® insertion; day 8: 500 IU PMSG; day 9: Crestar® removal; day 11 AI). Follicular fluid stradiol (E2) and progesterone (P4) in acyclic and pre-ovulatory follicle in study groups was significantly (P<0.01) higher than peripheral level. Peripheral E2 concentration, during pre-ovulatory period in group II was higher (P<0.05) than group I. Significant correlation between serum and follicular E2 was deduced (r=0.888; P<0.01) as significant difference in serum cholesterol content was shown between groups. Lower follicular total protein (P<0.05) in acyclic animals and higher follicular glucose (P<0.05) in treated group were concluded. Significant correlation (r=-0.770; P<0.05) was observed between follicular cholesterol and triglycerides. Follicular characteristics, post PMSG administration, differed significantly (0.83 ± 0.20 vs 1.32 ± 0.12; P<0.01) in all buffaloes exhibiting estrus, out of which four conceived. In conclusion, follicular hormonal and biochemical profile exhibits alteration in protein and glucose level between summer acyclic and treated buffaloes. However, peripheral E2 along with fertility response showed significant difference (P<0.01) between the study groups with significant correlation in E2, cholesterol and triglycerides between peripheral and follicular compartment. PMID:28224008

  2. Evidence that hyperprolactinaemia is associated with ovarian acyclicity in female zoo African elephants.

    PubMed

    Dow, T L; Brown, J L

    2012-01-01

    African elephants of reproductive age in zoos are experiencing high rates of ovarian cycle problems (>40%) and low reproductive success. Previously, our laboratory found that 1/3 of acyclic females exhibit hyperprolactinaemia, a likely cause of ovarian dysfunction. This follow-up study re-examined hyperprolactinaemia in African elephants and found the problem has increased significantly to 71% of acyclic females. Circulating serum progestagens and prolactin were analysed in 31 normal cycling, 13 irregular cycling and 31 acyclic elephants for 12 months. In acyclic females, overall mean prolactin concentrations differed from cycling females (P < 0.05), with concentrations being either higher (n = 22; 54.90 ± 13.31 ngmL(-1)) or lower (n = 9; 6.47 ± 1.73 ngmL(-1)) than normal. No temporal patterns of prolactin secretion were evident in elephants that lacked progestagen cycles. In cycling females, prolactin was secreted in a cyclical manner, with higher concentrations observed during nonluteal (34.38 ± 1.77 and 32.75 ± 2.61 ngmL(-1)) than luteal (10.51 ± 0.30 and 9.67 ± 0.42 ngmL(-1)) phases for normal and irregular females, respectively. Of most concern was that over two-thirds of acyclic females now are hyperprolactinemic, a dramatic increase over that observed 7 years earlier. Furthermore, females of reproductive age constituted 45% of elephants with hyperprolactinaemia. Until the cause of this problem is identified and a treatment is developed, reproductive rates will remain suboptimal and the population nonsustaining.

  3. The role of language in multi-dimensional categorization: evidence from transcranial direct current stimulation and exposure to verbal labels.

    PubMed

    Perry, Lynn K; Lupyan, Gary

    2014-08-01

    Human concepts differ in their dimensionality. Some, like green-things, require representing one dimension while abstracting over many others. Others, like bird, have higher dimensionality due to numerous category-relevant properties (feathers, two-legs). Converging evidence points to the importance of verbal labels for forming low-dimensional categories. We examined the role of verbal labels in categorization by (1) using transcranial direct current stimulation over Wernicke's area (2) providing explicit verbal labels during a category learning task. We trained participants on a novel perceptual categorization task in which categories could be distinguished by either a uni- or bi-dimensional criterion. Cathodal stimulation over Wernicke's area reduced reliance on single-dimensional solutions, while presenting informationally redundant novel labels reduced reliance on the dimension that is normally incidental in the real world. These results provide further evidence that implicit and explicit verbal labels support the process of human categorization.

  4. Three-dimensional direct measurement of cardiomyocyte volume, nuclearity, and ploidy in thick histological sections

    NASA Astrophysics Data System (ADS)

    Bensley, Jonathan Guy; de Matteo, Robert; Harding, Richard; Black, Mary Jane

    2016-04-01

    Quantitative assessment of myocardial development and disease requires accurate measurement of cardiomyocyte volume, nuclearity (nuclei per cell), and ploidy (genome copies per cell). Current methods require enzymatically isolating cells, which excludes the use of archived tissue, or serial sectioning. We describe a method of analysis that permits the direct simultaneous measurement of cardiomyocyte volume, nuclearity, and ploidy in thick histological sections. To demonstrate the utility of our technique, heart tissue was obtained from four species (rat, mouse, rabbit, sheep) at up to three life stages: prenatal, weaning and adulthood. Thick (40 μm) paraffin sections were stained with Wheat Germ Agglutinin-Alexa Fluor 488 to visualise cell membranes, and DAPI (4‧,6-diamidino-2-phenylindole) to visualise nuclei and measure ploidy. Previous methods have been restricted to thin sections (2–10 μm) and offer an incomplete picture of cardiomyocytes. Using confocal microscopy and three-dimensional image analysis software (Imaris Version 8.2, Bitplane AG, Switzerland), cardiomyocyte volume, nuclearity, and ploidy were measured. This method of staining and analysis of cardiomyocytes enables accurate morphometric measurements in thick histological sections, thus unlocking the potential of archived tissue. Our novel time-efficient method permits the entire cardiomyocyte to be visualised directly in 3D, eliminating the need for precise alignment of serial sections.

  5. Degradation-mediated cellular traction directs stem cell fate in covalently crosslinked three-dimensional hydrogels

    NASA Astrophysics Data System (ADS)

    Khetan, Sudhir; Guvendiren, Murat; Legant, Wesley R.; Cohen, Daniel M.; Chen, Christopher S.; Burdick, Jason A.

    2013-05-01

    Although cell-matrix adhesive interactions are known to regulate stem cell differentiation, the underlying mechanisms, in particular for direct three-dimensional encapsulation within hydrogels, are poorly understood. Here, we demonstrate that in covalently crosslinked hyaluronic acid (HA) hydrogels, the differentiation of human mesenchymal stem cells (hMSCs) is directed by the generation of degradation-mediated cellular traction, independently of cell morphology or matrix mechanics. hMSCs within HA hydrogels of equivalent elastic moduli that permit (restrict) cell-mediated degradation exhibited high (low) degrees of cell spreading and high (low) tractions, and favoured osteogenesis (adipogenesis). Moreover, switching the permissive hydrogel to a restrictive state through delayed secondary crosslinking reduced further hydrogel degradation, suppressed traction, and caused a switch from osteogenesis to adipogenesis in the absence of changes to the extended cellular morphology. Furthermore, inhibiting tension-mediated signalling in the permissive environment mirrored the effects of delayed secondary crosslinking, whereas upregulating tension induced osteogenesis even in the restrictive environment.

  6. Three-dimensional direct measurement of cardiomyocyte volume, nuclearity, and ploidy in thick histological sections

    PubMed Central

    Bensley, Jonathan Guy; De Matteo, Robert; Harding, Richard; Black, Mary Jane

    2016-01-01

    Quantitative assessment of myocardial development and disease requires accurate measurement of cardiomyocyte volume, nuclearity (nuclei per cell), and ploidy (genome copies per cell). Current methods require enzymatically isolating cells, which excludes the use of archived tissue, or serial sectioning. We describe a method of analysis that permits the direct simultaneous measurement of cardiomyocyte volume, nuclearity, and ploidy in thick histological sections. To demonstrate the utility of our technique, heart tissue was obtained from four species (rat, mouse, rabbit, sheep) at up to three life stages: prenatal, weaning and adulthood. Thick (40 μm) paraffin sections were stained with Wheat Germ Agglutinin-Alexa Fluor 488 to visualise cell membranes, and DAPI (4′,6-diamidino-2-phenylindole) to visualise nuclei and measure ploidy. Previous methods have been restricted to thin sections (2–10 μm) and offer an incomplete picture of cardiomyocytes. Using confocal microscopy and three-dimensional image analysis software (Imaris Version 8.2, Bitplane AG, Switzerland), cardiomyocyte volume, nuclearity, and ploidy were measured. This method of staining and analysis of cardiomyocytes enables accurate morphometric measurements in thick histological sections, thus unlocking the potential of archived tissue. Our novel time-efficient method permits the entire cardiomyocyte to be visualised directly in 3D, eliminating the need for precise alignment of serial sections. PMID:27048757

  7. One-dimensional hybrid-direct kinetic simulation of the discharge plasma in a Hall thruster

    SciTech Connect

    Hara, Kentaro; Boyd, Iain D.; Kolobov, Vladimir I.

    2012-11-15

    In order to model the non-equilibrium plasma within the discharge region of a Hall thruster, the velocity distribution functions (VDFs) must be obtained accurately. A direct kinetic (DK) simulation method that directly solves the plasma Boltzmann equation can achieve better resolution of VDFs in comparison to particle simulations, such as the particle-in-cell (PIC) method that inherently include statistical noise. In this paper, a one-dimensional hybrid-DK simulation, which uses a DK simulation for heavy species and a fluid model for electrons, is developed and compared to a hybrid-PIC simulation. Time-averaged results obtained from the hybrid-DK simulation are in good agreement with hybrid-PIC results and experimental data. It is shown from a comparison of using a kinetic simulation and solving the continuity equation that modeling of the neutral atoms plays an important role for simulations of the Hall thruster discharge plasma. In addition, low and high frequency plasma oscillations are observed. Although the kinetic nature of electrons is not resolved due to the use of a fluid model, the hybrid-DK model provides spatially and temporally well-resolved plasma properties and an improved resolution of VDFs for heavy species with less statistical noise in comparison to the hybrid-PIC method.

  8. Dimensional Reduction of a Layered Metal Chalcogenide into a 1D Near-IR Direct Band Gap Semiconductor

    SciTech Connect

    Liu, Yi-Hsin; Porter, Spencer H.; Goldberger, Joshua E.

    2012-07-24

    Reducing the dimensionality of inorganic lattices allows for the creation of new materials that have unique optoelectronic properties. We demonstrate that a layered metal chalcogenide lattice, TiS{sub 2}, can form a dimensionally reduced crystalline one-dimensional hybrid organic/inorganic TiS{sub 2}(ethylenediamine) framework when synthesized from molecular precursors in solution. This solid has strong absorption above 1.70 eV and pronounced emission in the near-IR regime. The energy dependence of the absorption, the near-IR photoluminescence, and electronic band structure calculations confirm that TiS{sub 2}(ethylenediamine) has a direct band gap.

  9. Direct numerical simulation and global stability analysis of three-dimensional instabilities in a lid-driven cavity

    NASA Astrophysics Data System (ADS)

    Chicheportiche, Jérèmie; Merle, Xavier; Gloerfelt, Xavier; Robinet, Jean-Christophe

    2008-07-01

    The first bifurcation in a lid-driven cavity characterized by three-dimensional Taylor-Görtler-Like instabilities is investigated for a cubical cavity with spanwise periodic boundary conditions at Re=1000. The modes predicted by a global linear stability analysis are compared to the results of a direct numerical simulation. The amplification rate, and the shape of the three-dimensional perturbation fields from the direct numerical simulation are in very good agreement with the characteristics of the steady S1 mode from the stability analysis, showing that this mode dominates the other unstable unsteady modes. To cite this article: J. Chicheportiche et al., C. R. Mecanique 336 (2008).

  10. Two-dimensional boron-nitrogen-carbon monolayers with tunable direct band gaps

    NASA Astrophysics Data System (ADS)

    Zhang, Miao; Gao, Guoying; Kutana, Alex; Wang, Yanchao; Zou, Xiaolong; Tse, John S.; Yakobson, Boris I.; Li, Hongdong; Liu, Hanyu; Ma, Yanming

    2015-07-01

    The search for new candidate semiconductors with direct band gaps of ~1.4 eV has attracted significant attention, especially among the two-dimensional (2D) materials, which have become potential candidates for next-generation optoelectronics. Herein, we systematically studied 2D Bx/2Nx/2C1-x (0 < x < 1) compounds in particular focus on the four stoichiometric Bx/2Nx/2C1-x (x = 2/3, 1/2, 2/5 and 1/3) using a recently developed global optimization method (CALYPSO) in conjunction with density functional theory. Furthermore, we examine more stoichiometries by the cluster expansion technique based on a hexagonal lattice. The results reveal that all monolayer Bx/2Nx/2C1-x stoichiometries adopt a planar honeycomb character and are dynamically stable. Remarkably, electronic structural calculations show that most of Bx/2Nx/2C1-x phases possess direct band gaps within the optical range, thereby they can potentially be used in high-efficiency conversion of solar energy to electric power, as well as in p-n junction photovoltaic modules. The present results also show that the band gaps of Bx/2Nx/2C1-x can be widely tuned within the optical range by changing the concentration of carbon, thus allowing the fast development of band gap engineered materials in optoelectronics. These new findings may enable new approaches to the design of microelectronic devices.The search for new candidate semiconductors with direct band gaps of ~1.4 eV has attracted significant attention, especially among the two-dimensional (2D) materials, which have become potential candidates for next-generation optoelectronics. Herein, we systematically studied 2D Bx/2Nx/2C1-x (0 < x < 1) compounds in particular focus on the four stoichiometric Bx/2Nx/2C1-x (x = 2/3, 1/2, 2/5 and 1/3) using a recently developed global optimization method (CALYPSO) in conjunction with density functional theory. Furthermore, we examine more stoichiometries by the cluster expansion technique based on a hexagonal lattice. The

  11. Two-dimensional boron-nitrogen-carbon monolayers with tunable direct band gaps.

    PubMed

    Zhang, Miao; Gao, Guoying; Kutana, Alex; Wang, Yanchao; Zou, Xiaolong; Tse, John S; Yakobson, Boris I; Li, Hongdong; Liu, Hanyu; Ma, Yanming

    2015-07-28

    The search for new candidate semiconductors with direct band gaps of ∼1.4 eV has attracted significant attention, especially among the two-dimensional (2D) materials, which have become potential candidates for next-generation optoelectronics. Herein, we systematically studied 2D B(x)/2N(x/2)C(1-x) (0 < x < 1) compounds in particular focus on the four stoichiometric B(x)/2N(x/2)C(1-x) (x = 2/3, 1/2, 2/5 and 1/3) using a recently developed global optimization method (CALYPSO) in conjunction with density functional theory. Furthermore, we examine more stoichiometries by the cluster expansion technique based on a hexagonal lattice. The results reveal that all monolayer B(x)/2N(x/2)C(1-x) stoichiometries adopt a planar honeycomb character and are dynamically stable. Remarkably, electronic structural calculations show that most of B(x)/2N(x/2)C(1-x) phases possess direct band gaps within the optical range, thereby they can potentially be used in high-efficiency conversion of solar energy to electric power, as well as in p-n junction photovoltaic modules. The present results also show that the band gaps of B(x)/2N(x/2)C(1-x) can be widely tuned within the optical range by changing the concentration of carbon, thus allowing the fast development of band gap engineered materials in optoelectronics. These new findings may enable new approaches to the design of microelectronic devices.

  12. Protein-directed assembly of arbitrary three-dimensional nanoporous silica architectures.

    PubMed

    Khripin, Constantine Y; Pristinski, Denis; Dunphy, Darren R; Brinker, C Jeffrey; Kaehr, Bryan

    2011-02-22

    Through precise control of nanoscale building blocks, such as proteins and polyamines, silica condensing microorganisms are able to create intricate mineral structures displaying hierarchical features from nano- to millimeter-length scales. The creation of artificial structures of similar characteristics is facilitated through biomimetic approaches, for instance, by first creating a bioscaffold comprised of silica condensing moieties which, in turn, govern silica deposition into three-dimensional (3D) structures. In this work, we demonstrate a protein-directed approach to template silica into true arbitrary 3D architectures by employing cross-linked protein hydrogels to controllably direct silica condensation. Protein hydrogels are fabricated using multiphoton lithography, which enables user-defined control over template features in three dimensions. Silica deposition, under acidic conditions, proceeds throughout protein hydrogel templates via flocculation of silica nanoparticles by protein molecules, as indicated by dynamic light scattering (DLS) and time-dependent measurements of elastic modulus. Following silica deposition, the protein template can be removed using mild thermal processing yielding high surface area (625 m(2)/g) porous silica replicas that do not undergo significant volume change compared to the starting template. We demonstrate the capabilities of this approach to create bioinspired silica microstructures displaying hierarchical features over broad length scales and the infiltration/functionalization capabilities of the nanoporous silica matrix by laser printing a 3D gold image within a 3D silica matrix. This work provides a foundation to potentially understand and mimic biogenic silica condensation under the constraints of user-defined biotemplates and further should enable a wide range of complex inorganic architectures to be explored using silica transformational chemistries, for instance silica to silicon, as demonstrated herein.

  13. Experimental observation of oscillatory cellular patterns in three-dimensional directional solidification

    NASA Astrophysics Data System (ADS)

    Pereda, J.; Mota, F. L.; Chen, L.; Billia, B.; Tourret, D.; Song, Y.; Debierre, J.-M.; Guérin, R.; Karma, A.; Trivedi, R.; Bergeon, N.

    2017-01-01

    We present a detailed analysis of oscillatory modes during three-dimensional cellular growth in a diffusive transport regime. We ground our analysis primarily on in situ observations of directional solidification experiments of a transparent succinonitrile 0.24 wt % camphor alloy performed in microgravity conditions onboard the International Space Station. This study completes our previous reports [Bergeon et al., Phys. Rev. Lett. 110, 226102 (2013), 10.1103/PhysRevLett.110.226102; Tourret et al., Phys. Rev. E 92, 042401 (2015), 10.1103/PhysRevE.92.042401] from an experimental perspective, and results are supported by additional phase-field simulations. We analyze the influence of growth parameters, crystal orientation, and sample history on promoting oscillations, and on their spatiotemporal characteristics. Cellular patterns display a remarkably uniform oscillation period throughout the entire array, despite a high array disorder and a wide distribution of primary spacing. Oscillation inhibition may be associated to crystalline disorientation, which stems from polygonization and is manifested as pattern drifting. We determine a drifting velocity threshold above which oscillations are inhibited, thereby demonstrating that inhibition is due to cell drifting and not directly to disorientation, and also explaining the suppression of oscillations when the pulling velocity history favors drifting. Furthermore, we show that the array disorder prevents long-range coherence of oscillations, but not short-range coherence in localized ordered regions. For regions of a few cells exhibiting hexagonal (square) ordering, three (two) subarrays oscillate with a phase shift of approximately ±120∘ (180∘), with square ordering occurring preferentially near subgrain boundaries.

  14. Model tags: direct three-dimensional tracking of heart wall motion from tagged magnetic resonance images.

    PubMed

    Young, A A

    1999-12-01

    Although magnetic resonance tissue tagging is a useful tool for the non-invasive measurement of three-dimensional (3-D) heart wall motion, the clinical utility of current analysis techniques is limited by the prohibitively long time required for image analysis. A method was therefore developed for the reconstruction of 3-D heart wall motion directly from tagged magnetic resonance images, without prior identification of ventricular boundaries or tag stripe locations. The method utilized a finite-element model to describe the shape and motion of the heart. Initially, the model geometry was determined at the time of tag creation by fitting a small number of guide points which were placed interactively on the images. Model tags were then created within the model as material surfaces which defined the location of the magnetic tags. An objective function was derived to measure the degree of match between the model tags and the image stripes. The objective was minimized by allowing the model to deform directly under the influence of the images, utilizing an efficient method for calculating image-derived motion constraints. The model deformation could also be manipulated interactively by guide points. Experiments were performed using clinical images of a normal volunteer, as well as simulated images in which the true motion was specified. The root-mean-squared errors between the known and calculated displacement and strain for the simulated images were similar to those obtained using previous stripe-tracking and model-fitting methods. A significant improvement in analysis time was obtained for the normal volunteer and further improvements may allow the method to be applied in a 'real-time' clinical environment.

  15. Direct three-dimensional ultrasound-to-video registration using photoacoustic markers

    NASA Astrophysics Data System (ADS)

    Cheng, Alexis; Kang, Jin U.; Taylor, Russell H.; Boctor, Emad M.

    2013-06-01

    Modern surgical procedures often have a fusion of video and other imaging modalities to provide the surgeon with information support. This requires interventional guidance equipment and surgical navigation systems to register different tools and devices together, such as stereoscopic endoscopes and ultrasound (US) transducers. In this work, the focus is specifically on the registration between these two devices. Electromagnetic and optical trackers are typically used to acquire this registration, but they have various drawbacks typically leading to target registration errors (TRE) of approximately 3 mm. We introduce photoacoustic markers for direct three-dimensional (3-D) US-to-video registration. The feasibility of this method was demonstrated on synthetic and ex vivo porcine liver, kidney, and fat phantoms with an air-coupled laser and a motorized 3-D US probe. The resulting TRE for each experiment ranged from 380 to 850 μm with standard deviations ranging from 150 to 450 μm. We also discuss a roadmap to bring this system into the surgical setting and possible challenges along the way.

  16. Direct fabrication of high-resolution three-dimensional polymeric scaffolds using electrohydrodynamic hot jet plotting

    NASA Astrophysics Data System (ADS)

    Wei, Chuang; Dong, Jingyan

    2013-02-01

    This paper presents the direct three-dimensional (3D) fabrication of polymer scaffolds with sub-10 µm structures using electrohydrodynamic jet (EHD-jet) plotting of melted thermoplastic polymers. Traditional extrusion-based fabrication approaches of 3D periodic porous structures are very limited in their resolution, due to the excessive pressure requirement for extruding highly viscous thermoplastic polymers. EHD-jet printing has become a high-resolution alternative to other forms of nozzle deposition-based fabrication approaches by generating micro-scale liquid droplets or a fine jet through the application of a large electrical voltage between the nozzle and the substrate. In this study, we successfully apply EHD-jet plotting technology with melted biodegradable polymer (polycaprolactone, or PCL) for the fabrication of 2D patterns and 3D periodic porous scaffold structures in potential tissue engineering applications. Process conditions (e.g. electrical voltage, pressure, plotting speed) have been thoroughly investigated to achieve reliable jet printing of fine filaments. We have demonstrated for the first time that the EHD-jet plotting process is capable of the fabrication of 3D periodic structures with sub-10 µm resolution, which has great potential in advanced biomedical applications, such as cell alignment and guidance.

  17. Two-dimensional vanadium-doped ZnO nanosheet-based flexible direct current nanogenerator.

    PubMed

    Gupta, Manoj Kumar; Lee, Ju-Hyuck; Lee, Keun Young; Kim, Sang-Woo

    2013-10-22

    Here, we report the synthesis of lead-free single-crystalline two-dimensional (2D) vanadium(V)-doped ZnO nanosheets (NSs) and their application for high-performance flexible direct current (DC) power piezoelectric nanogenerators (NGs). The vertically aligned ZnO nanorods (NRs) converted to NS networks by V doping. Piezoresponse force microscopy studies reveal that vertical V-doped ZnO NS exhibit typical ferroelectricity with clear phase loops, butterfly, and well-defined hysteresis loops with a piezoelectric charge coefficient of up to 4 pm/V, even in 2D nanostructures. From pristine ZnO NR-based NGs, alternating current (AC)-type output current was observed, while from V-doped ZnO NS-based NGs, a DC-type output current density of up to 1.0 μAcm(-2) was surprisingly obtained under the same vertical compressive force. The growth mechanism, ferroelectric behavior, charge inverted phenomena, and high piezoelectric output performance observed from the V-doped ZnO NS are discussed in terms of the formation of an ionic layer of [V(OH)4(-)], permanent electric dipole, and the doping-induced resistive behavior of ZnO NS.

  18. A facile method for integrating direct-write devices into three-dimensional printed parts

    NASA Astrophysics Data System (ADS)

    Chang, Yung-Hang; Wang, Kan; Wu, Changsheng; Chen, Yiwen; Zhang, Chuck; Wang, Ben

    2015-06-01

    Integrating direct-write (DW) devices into three-dimensional (3D) printed parts is key to continuing innovation in engineering applications such as smart material systems and structural health monitoring. However, this integration is challenging because: (1) most 3D printing techniques leave rough or porous surfaces if they are untreated; (2) the thermal sintering process required for most conductive inks could degrade the polymeric materials of 3D printed parts; and (3) the extensive pause needed for the DW process during layer-by-layer fabrication may cause weaker interlayer bonding and create structural weak points. These challenges are rather common during the insertion of conductive patterns inside 3D printed structures. As an avoidance tactic, we developed a simple ‘print-stick-peel’ method to transfer the DW device from the polytetrafluoroethylene or perfluoroalkoxy alkanes film onto any layer of a 3D printed object. This transfer can be achieved using the self-adhesion of 3D printing materials or applying additional adhesive. We demonstrated this method by transferring Aerosol Jet® printed strain sensors into parts fabricated by PolyJet™ printing. This report provides an investigation and discussion on the sensitivity, reliability, and influence embedding the sensor has on mechanical properties.

  19. Direct three-dimensional imaging of structure in a strongly-coupled dusty plasma

    NASA Astrophysics Data System (ADS)

    Quinn, R. A.; Goree, J.; Pieper, J. B.

    1996-11-01

    Using direct imaging of 9 μ m plastic spheres suspended in low-power Krypton discharges, we have constructed three-dimensional images showing the crystalline structure of a strongly-coupled dusty plasma. The spheres, which are highly charged and levitated by the electrode sheath, form a strongly-coupled system. A horizontal laser sheet illuminates a slice through the suspension, and a video camera views at 90^circ . Using a vertical stack of digitized images of particles in equally-spaced horizontal planes, we reconstructed the 3-D structure. We found bcc (body-centered cubic) and simple hexagonal structures coexisting in the same suspension. This coexistence is attributed to a bistability owing to an attractive potential region downstream of a charged grain in the presence of flowing ions. The probability of the system arranging in itself in the bcc or simple hexagonal phases is found to depend on the rf power that is used to sustain the discharge, and this in turn affects the particle charge and Debye length.(J. B. Pieper, J. Goree, R. A. Quinn, submitted to Phys. Rev. E) Work supported by NSF and NASA

  20. Direct Numerical Simulation of Particle Behaviour in a Gas-Solid Three Dimensional Plane Jet

    SciTech Connect

    Qazi, N. A.; Tang, J. C. K.; Hawkes, E. R.; Yeoh, G. H.; Grout, Ray W.; Sitaraman, Hariswaran; Talei, M.; Taylor, R. A.; Bolla, M.; Wang, H.

    2014-12-08

    In this paper, direct numerical simulations (DNS) of a three-dimensional (3D), non-reacting, temporally evolving planar jet laden with mono-dispersed solid particles in the two-way coupling (TWC) regime are performed. Three different particles Stokes numbers (St = 0.1, 1, 10) have been considered. This has been achieved by varying the particle diameter while keeping the particle mass loading (fm = 1) and the jet Reynolds number (Rejet = 2000) unchanged. The objective is to study the effect of the particle Stokes number TWC regime on the temporal development of the planar jet. Two-way coupled momentum and heat transfer has been studied by investigating mean relative velocity and temperature. Results indicate that the relative parameters are more pronounced on the edges of the jet and decrease in time in general. At the center of the jet however, the mean value first increases and then decreases again. Additionally, lighter particles spread farther than heavier particles from the center of the jet. Furthermore, the heavier particles delay the development of the jet due to TWC effects.

  1. Direct observation of melting in a two-dimensional driven granular system

    PubMed Central

    Sun, Xiaoyan; Li, Yang; Ma, Yuqiang; Zhang, Zexin

    2016-01-01

    Melting is considered to be one of the most fundamental problems in physical science. Generally, dimensionality plays an important role in melting. In three-dimension, it’s well known that a crystal melts directly into a liquid via a first-order transition. In two-dimension (2D), however, the melting process has been widely debated whether it is a first-order transition or a two-step transition with an intermediate hexatic phase. Experimentally 2D melting has been intensively studied in equilibrium systems such as molecular and colloidal crystals, but rarely been explored in non-equilibrium system such as granular materials. In this paper, we experimentally studied the 2D melting in a driven granular model system at single particle level using video recording and particle tracking techniques. Measurements of orientational/translational correlation functions show evidences that the melting is a two-step transition. A novel concept of orientational/translational susceptibilities enable us to clearly resolve the intermediate hexatic phase. Our results are in excellent agreement with the two-step melting scenario predicted by KTHNY theory, and demonstrate that the KTHNY melting scenario can be extended to non-equilibrium systems. PMID:27052190

  2. Three-Dimensional Study of Yield Degradation for Direct-Drive Inertial Confinement Fusion

    NASA Astrophysics Data System (ADS)

    Woo, K. M.; Betti, R.; Yan, R.; Aluie, H.; Bose, A.; Zhao, D. X.; Gopalaswamy, V.

    2016-10-01

    The mechanism of yield degradation in the deceleration phase for direct-drive inertial confinement fusion was studied using a recently developed three-dimensional radiation-hydrodynamics code DEC3D. Under the approximation of adiabatic hot spot, an expression that measures the degradation of neutron rate was obtained in terms of the ratio of perturbed to the clean hot-spot volume. The characteristics of perturbed hot-spot volume is identified as a key parameter to understand the departure from spherical symmetry. The role of 3-D effects on compressibility, which affects the hot-spot volume, was examined including the 3-D vorticity dynamics in the spherical converging geometry and the jet flow in P-1 perturbations. In particular, the hot spot was found to be less compressible in the nonlinear phase of the Rayleigh-Taylor instability, resulting in a poor hydrodynamic efficiency to convert the shell kinetic energy into hot-spot pressure. This material is based upon work supported by the Department of Energy National Nuclear Security Administration under Award Number DENA0001944.

  3. One dimensional acoustic direct nonlinear inversion using the Volterra inverse scattering series

    NASA Astrophysics Data System (ADS)

    Yao, Jie; Lesage, Anne-Cécile; Bodmann, Bernhard G.; Hussain, Fazle; Kouri, Donald J.

    2014-06-01

    Direct inversion of acoustic scattering problems is nonlinear. One way to treat the inverse scattering problem is based on the reversion of the Born-Neumann series solution of the Lippmann-Schwinger equation. An important issue for this approach is the radius of convergence of the Born-Neumann series for the forward problem. However, this issue can be tackled by employing a renormalization technique to transform the Lippmann-Schwinger equation from a Fredholm to a Volterra integral form. The Born series of a Volterra integral equation converges absolutely and uniformly in the entire complex plane. We present a further study of this new mathematical framework. A Volterra inverse scattering series (VISS) using both reflection and transmission data is derived and tested for several acoustic velocity models. For large velocity contrast, series summation techniques (e.g., Cesàro summation, Euler transform, etc) are employed to improve the rate of convergence of VISS. It is shown that the VISS method with summation techniques can provide a relatively good estimation of the velocity profile. The method is fully data-driven in the respect that no prior information of the model is required. Besides, no internal multiple removal is needed. This one dimensional VISS approach is useful for inverse scattering and serves as an important step for studying more complicated and realistic inversions.

  4. A multi-dimensional finite volume cell-centered direct ALE solver for hydrodynamics

    NASA Astrophysics Data System (ADS)

    Clair, G.; Ghidaglia, J.-M.; Perlat, J.-P.

    2016-12-01

    In this paper we describe a second order multi-dimensional scheme, belonging to the class of direct Arbitrary Lagrangian-Eulerian (ALE) methods, for the solution of non-linear hyperbolic systems of conservation law. The scheme is constructed upon a cell-centered explicit Lagrangian solver completed with an edge-based upwinded formulation of the numerical fluxes, computed from the MUSCL-Hancock method, to obtain a full ALE formulation. Numerical fluxes depend on nodal grid velocities which are either set or computed to avoid most of the mesh problems typically encountered in purely Lagrangian simulations. In order to assess the robustness of the scheme, most results proposed in this paper have been obtained by computing the grid velocities as a fraction of the Lagrangian nodal velocities, the ratio being set before running the test case. The last part of the paper describes preliminary results about the triple point test case run in the ALE framework by computing the grid velocities with the fully adaptive Large Eddy Limitation (L.E.L.) method proposed in [1]. Such a method automatically computes the grid velocities at each node defining the mesh from the local characteristics of the flow. We eventually discuss the advantages and the drawback of the coupling.

  5. Highly π electron-rich macro-aromatics: bis(p-aminophenyl)-carbo-benzenes and their DBA acyclic references.

    PubMed

    Rives, Arnaud; Baglai, Iaroslav; Malytskyi, Volodymyr; Maraval, Valérie; Saffon-Merceron, Nathalie; Voitenko, Zoia; Chauvin, Remi

    2012-09-11

    A series of stable quadrupolar bis(p-aminophenyl)-carbo-benzenes, featuring both donor-donor-donor π-frustration and central macro-aromaticity, is described and compared to the acyclic dibutatrienylacetylene (DBA) reference series.

  6. Stable Direct Adaptive Control of Linear Infinite-dimensional Systems Using a Command Generator Tracker Approach

    NASA Technical Reports Server (NTRS)

    Balas, M. J.; Kaufman, H.; Wen, J.

    1985-01-01

    A command generator tracker approach to model following contol of linear distributed parameter systems (DPS) whose dynamics are described on infinite dimensional Hilbert spaces is presented. This method generates finite dimensional controllers capable of exponentially stable tracking of the reference trajectories when certain ideal trajectories are known to exist for the open loop DPS; we present conditions for the existence of these ideal trajectories. An adaptive version of this type of controller is also presented and shown to achieve (in some cases, asymptotically) stable finite dimensional control of the infinite dimensional DPS.

  7. One-pot synthesis of acyclic nucleosides from carbohydrate derivatives, by combination of tandem and sequential reactions.

    PubMed

    Boto, Alicia; Hernández, Dácil; Hernández, Rosendo; Alvarez, Eleuterio

    2007-12-07

    The design of processes which combine tandem and sequential reactions allows the transformation of readily available precursors into high-profit products. This strategy is illustrated by the one-pot synthesis of acyclic nucleosides, which are potential antiviral compounds, from readily available carbohydrates. The reaction conditions are mild, compatible with most functional groups. Depending on the starting sugar, both common and uncommon acyclic chains can be prepared. These polyhydroxylated chains can be combined with different bases to generate diversity.

  8. Screening of a minimal enriched P450 BM3 mutant library for hydroxylation of cyclic and acyclic alkanes.

    PubMed

    Weber, Evelyne; Seifert, Alexander; Antonovici, Mihaela; Geinitz, Christopher; Pleiss, Jürgen; Urlacher, Vlada B

    2011-01-21

    A minimal enriched P450 BM3 library was screened for the ability to oxidize inert cyclic and acyclic alkanes. The F87A/A328V mutant was found to effectively hydroxylate cyclooctane, cyclodecane and cyclododecane. F87V/A328F with high activity towards cyclooctane hydroxylated acyclic n-octane to 2-(R)-octanol (46% ee) with high regioselectivity (92%).

  9. Alterations in follicular fluid estradiol, progesterone and insulin concentrations during ovarian acyclicity in water buffalo (Bubalus bubalis).

    PubMed

    Khan, F A; Das, G K; Pande, Megha; Sarkar, M; Mahapatra, R K; Shankar, Uma

    2012-01-01

    Ovarian acyclicity is one of the most important causes of infertility in water buffalo. Recent studies have indicated alterations in the composition of follicular fluid during the condition. The aim of this study was to determine the changes in follicular fluid concentrations of estradiol, progesterone and insulin during ovarian acyclicity in water buffalo. Ovaries were collected from 50 acyclic and 95 cyclic (control) buffaloes and follicular fluid was aspirated from small (5.0-6.9 mm), medium (7.0-9.9 mm) and large (≥10.0 mm) sized follicles. Estradiol concentration was lower (P<0.0001) in acyclic (1.4 ± 0.09 ng/ml) than in cyclic (3.3 ± 0.18 ng/ml) buffaloes. Regardless of the ovarian cyclic status, there was an increase (P<0.01) in estradiol concentration with the increase in follicle size; the mean concentrations were 2.4 ± 0.16 ng/ml, 2.8 ± 0.29 ng/ml and 3.5 ± 0.41 ng/ml in small, medium and large follicles, respectively. A higher (P<0.001) progesterone concentration was recorded in acyclic (24.3 ± 2.61 ng/ml) compared to the cyclic (7.6 ± 0.79 ng/ml) group. Furthermore, acyclic buffaloes had a lower (P<0.05) concentration of insulin in the follicular fluid than that of cyclic buffaloes (15.2 ± 1.55 μIU/ml versus 25.9 ± 2.78 μIU/ml, respectively). In conclusion, acyclic buffaloes have lower concentrations of estradiol and insulin concurrent with higher concentrations of progesterone in the follicular fluid. These hormonal changes in the follicular microenvironment are possibly a manifestation of the disturbances in the normal follicular development leading to anovulation and anestrus in acyclic buffaloes.

  10. Direct calculation of wall interferences and wall adaptation for two-dimensional flow in wind tunnels with closed walls

    NASA Technical Reports Server (NTRS)

    Amecke, Juergen

    1986-01-01

    A method for the direct calculation of the wall induced interference velocity in two dimensional flow based on Cauchy's integral formula was derived. This one-step method allows the calculation of the residual corrections and the required wall adaptation for interference-free flow starting from the wall pressure distribution without any model representation. Demonstrated applications are given.

  11. Enantioselective Heck arylations of acyclic alkenyl alcohols using a redox-relay strategy.

    PubMed

    Werner, Erik W; Mei, Tian-Sheng; Burckle, Alexander J; Sigman, Matthew S

    2012-12-14

    Progress in the development of asymmetric Heck couplings of arenes and acyclic olefins has been limited by a tenuous understanding of the factors that dictate selectivity in migratory insertion and β-hydride elimination. On the basis of key mechanistic insight recently garnered in the exploration of selective Heck reactions, we report here an enantioselective variant that delivers β-, γ-, or δ-aryl carbonyl products from acyclic alkenol substrates. The catalyst system imparts notable regioselectivity during migratory insertion and promotes the migration of the alkene's unsaturation toward the alcohol to ultimately form the ketone product. The reaction uses aryldiazonium salts as the arene source, yields enantiomeric products from opposite starting alkene configurations, and uses a readily accessible ligand. The racemic nature of the alkenol substrate does not bias the enantioselection.

  12. Acyclic ketones in the defensive secretion of a "daddy longlegs" (Leiobunum vittatum).

    PubMed

    Meinwald, J; Kluge, A F; Carrel, J E; Eisner, T

    1971-07-01

    The defensive secretion of the "daddy longlegs" Leiobunum vittatum was analyzed and found to contain the acyclic ketones 4-methylheptan-3-one and E-4,6-dimethyl-6-octen-3-one as its major organic components. Although 4-methylheptan-3-one has been found previously as an alarm substance in certain ant genera, the second component, whose structure is confirmed by synthesis, is new.

  13. Numerical study of the directed polymer in a 1 + 3 dimensional random medium

    NASA Astrophysics Data System (ADS)

    Monthus, C.; Garel, T.

    2006-09-01

    The directed polymer in a 1+3 dimensional random medium is known to present a disorder-induced phase transition. For a polymer of length L, the high temperature phase is characterized by a diffusive behavior for the end-point displacement R2 ˜L and by free-energy fluctuations of order ΔF(L) ˜O(1). The low-temperature phase is characterized by an anomalous wandering exponent R2/L ˜Lω and by free-energy fluctuations of order ΔF(L) ˜Lω where ω˜0.18. In this paper, we first study the scaling behavior of various properties to localize the critical temperature Tc. Our results concerning R2/L and ΔF(L) point towards 0.76 < Tc ≤T2=0.79, so our conclusion is that Tc is equal or very close to the upper bound T2 derived by Derrida and coworkers (T2 corresponds to the temperature above which the ratio bar{Z_L^2}/(bar{Z_L})^2 remains finite as L ↦ ∞). We then present histograms for the free-energy, energy and entropy over disorder samples. For T ≫Tc, the free-energy distribution is found to be Gaussian. For T ≪Tc, the free-energy distribution coincides with the ground state energy distribution, in agreement with the zero-temperature fixed point picture. Moreover the entropy fluctuations are of order ΔS ˜L1/2 and follow a Gaussian distribution, in agreement with the droplet predictions, where the free-energy term ΔF ˜Lω is a near cancellation of energy and entropy contributions of order L1/2.

  14. Three-Dimensional Viscous Alternating Direction Implicit Algorithm and Strategies for Shape Optimization

    NASA Technical Reports Server (NTRS)

    Pandya, Mohagna J.; Baysal, Oktay

    1997-01-01

    A gradient-based shape optimization based on quasi-analytical sensitivities has been extended for practical three-dimensional aerodynamic applications. The flow analysis has been rendered by a fully implicit, finite-volume formulation of the Euler and Thin-Layer Navier-Stokes (TLNS) equations. Initially, the viscous laminar flow analysis for a wing has been compared with an independent computational fluid dynamics (CFD) code which has been extensively validated. The new procedure has been demonstrated in the design of a cranked arrow wing at Mach 2.4 with coarse- and fine-grid based computations performed with Euler and TLNS equations. The influence of the initial constraints on the geometry and aerodynamics of the optimized shape has been explored. Various final shapes generated for an identical initial problem formulation but with different optimization path options (coarse or fine grid, Euler or TLNS), have been aerodynamically evaluated via a common fine-grid TLNS-based analysis. The initial constraint conditions show significant bearing on the optimization results. Also, the results demonstrate that to produce an aerodynamically efficient design, it is imperative to include the viscous physics in the optimization procedure with the proper resolution. Based upon the present results, to better utilize the scarce computational resources, it is recommended that, a number of viscous coarse grid cases using either a preconditioned bi-conjugate gradient (PbCG) or an alternating-direction-implicit (ADI) method, should initially be employed to improve the optimization problem definition, the design space and initial shape. Optimized shapes should subsequently be analyzed using a high fidelity (viscous with fine-grid resolution) flow analysis to evaluate their true performance potential. Finally, a viscous fine-grid-based shape optimization should be conducted, using an ADI method, to accurately obtain the final optimized shape.

  15. Three-dimensional application of the Johnson-King turbulence model for a boundary-layer direct method

    NASA Technical Reports Server (NTRS)

    Kavsaoglu, Mehmet S.; Kaynak, Unver; Van Dalsem, William R.

    1989-01-01

    The Johnson-King turbulence model as extended to three-dimensional flows was evaluated using finite-difference boundary-layer direct method. Calculations were compared against the experimental data of the well-known Berg-Elsenaar incompressible flow over an infinite swept-wing. The Johnson-King model, which includes the nonequilibrium effects in a developing turbulent boundary-layer, was found to significantly improve the predictive quality of a direct boundary-layer method. The improvement was especially visible in the computations with increased three-dimensionality of the mean flow, larger integral parameters, and decreasing eddy-viscosity and shear stress magnitudes in the streamwise direction; all in better agreement with the experiment than simple mixing-length methods.

  16. A novel lithography process for 3D (three-dimensional) interconnect using an optical direct-writing exposure system

    NASA Astrophysics Data System (ADS)

    Azuma, T.; Sekiguchi, M.; Matsuo, M.; Kawasaki, A.; Hagiwara, K.; Matsui, H.; Kawamura, N.; Kishimoto, K.; Nakamura, A.; Washio, Y.

    2010-03-01

    A novel lithography process for 3D (Three-dimensional) interconnect was developed using an optical direct-writing exposure tool. A reflective IR (Infra-red) alignment system allows a direct detection of alignment marks both on front-side and back-side of wafer, and consequently allows feasible micro-fabrication for 3D interconnect using the reversed wafer. A combination of the optical direct-writing exposure tool of Dainippon Screen MFG. Co., Ltd. with the reflective IR alignment system and a high aspect chemically amplified resist of Tokyo Ohka Kogyo Co., Ltd. provides the lithography process exclusively for 12-inch wafer level 3D interconnect.

  17. Ultra-directional source of longitudinal acoustic waves based on a two-dimensional solid/solid phononic crystal

    SciTech Connect

    Morvan, B.; Tinel, A.; Sainidou, R.; Rembert, P.; Vasseur, J. O.; Hladky-Hennion, A.-C.; Swinteck, N.; Deymier, P. A.

    2014-12-07

    Phononic crystals (PC) can be used to control the dispersion properties of acoustic waves, which are essential to direct their propagation. We use a PC-based two-dimensional solid/solid composite to demonstrate experimentally and theoretically the spatial filtering of a monochromatic non-directional wave source and its emission in a surrounding water medium as an ultra-directional beam with narrow angular distribution. The phenomenon relies on square-shaped equifrequency contours (EFC) enabling self-collimation of acoustic waves within the phononic crystal. Additionally, the angular width of collimated beams is controlled via the EFC size-shrinking when increasing frequency.

  18. Universal ultrafast sandpaper assisting rubbing method for room temperature fabrication of two-dimensional nanosheets directly on flexible polymer substrate

    NASA Astrophysics Data System (ADS)

    Yu, Yan; Jiang, Shenglin; Zhang, Guangzu; Zhou, Wenli; Miao, Xiangshui; Zeng, Yike; Wang, Jing; He, Jungang; Zhang, Ling

    2012-08-01

    In this letter, a universal ultrafast sandpaper assisting rubbing method was proposed to fabricate two-dimensional nanosheets (graphene, hexagonal boron nitride, tungsten disulfide, molybdenum disulfide) directly on flexible polymer substrate under room temperature. By two steps of rubbing progresses totally within 2 min, raw materials could be evolved to be thinner and to be attached onto polymer substrate. The final products showed high surface stability, which would be very useful during applications, and the physical mechanisms of surface stability were discussed. The micro-morphology evolutions of two-dimensional powders and sandpapers were tested to study the physical mechanisms of the method.

  19. Fabrication of three-dimensional microfluidic channels inside glass using nanosecond laser direct writing.

    PubMed

    Liu, Changning; Liao, Yang; He, Fei; Shen, Yinglong; Chen, Danping; Cheng, Ya; Xu, Zhizhan; Sugioka, Koji; Midorikawa, Katsumi

    2012-02-13

    We show that fabrication of three-dimensional microfluidic channels embedded in glass can be achieved by using a Q-switched, frequency-doubled Nd:YAG laser. The processing mainly consists of two steps: (1) formation of hollow microfluidic channels in porous glass immersed in Rhodamine 6G dissolved in water by nanosecond laser ablation; and (2) postannealing of the fabricated porous glass sample at 1120 °C for consolidation of the sample. In particular, a bilayer microfluidic structure is created in glass substrate using this technique for showcasing its capability of three-dimensional structuring.

  20. Bayesian reconstruction of P(r) directly from two-dimensional detector images via a Markov chain Monte Carlo method

    PubMed Central

    Paul, Sudeshna; Friedman, Alan M.; Bailey-Kellogg, Chris; Craig, Bruce A.

    2013-01-01

    The interatomic distance distribution, P(r), is a valuable tool for evaluating the structure of a molecule in solution and represents the maximum structural information that can be derived from solution scattering data without further assumptions. Most current instrumentation for scattering experiments (typically CCD detectors) generates a finely pixelated two-dimensional image. In contin­uation of the standard practice with earlier one-dimensional detectors, these images are typically reduced to a one-dimensional profile of scattering inten­sities, I(q), by circular averaging of the two-dimensional image. Indirect Fourier transformation methods are then used to reconstruct P(r) from I(q). Substantial advantages in data analysis, however, could be achieved by directly estimating the P(r) curve from the two-dimensional images. This article describes a Bayesian framework, using a Markov chain Monte Carlo method, for estimating the parameters of the indirect transform, and thus P(r), directly from the two-dimensional images. Using simulated detector images, it is demonstrated that this method yields P(r) curves nearly identical to the reference P(r). Furthermore, an approach for evaluating spatially correlated errors (such as those that arise from a detector point spread function) is evaluated. Accounting for these errors further improves the precision of the P(r) estimation. Experimental scattering data, where no ground truth reference P(r) is available, are used to demonstrate that this method yields a scattering and detector model that more closely reflects the two-dimensional data, as judged by smaller residuals in cross-validation, than P(r) obtained by indirect transformation of a one-dimensional profile. Finally, the method allows concurrent estimation of the beam center and D max, the longest interatomic distance in P(r), as part of the Bayesian Markov chain Monte Carlo method, reducing experimental effort and providing a well defined protocol for these

  1. Bayesian reconstruction of P(r) directly from two-dimensional detector images via a Markov chain Monte Carlo method.

    PubMed

    Paul, Sudeshna; Friedman, Alan M; Bailey-Kellogg, Chris; Craig, Bruce A

    2013-04-01

    The interatomic distance distribution, P(r), is a valuable tool for evaluating the structure of a molecule in solution and represents the maximum structural information that can be derived from solution scattering data without further assumptions. Most current instrumentation for scattering experiments (typically CCD detectors) generates a finely pixelated two-dimensional image. In contin-uation of the standard practice with earlier one-dimensional detectors, these images are typically reduced to a one-dimensional profile of scattering inten-sities, I(q), by circular averaging of the two-dimensional image. Indirect Fourier transformation methods are then used to reconstruct P(r) from I(q). Substantial advantages in data analysis, however, could be achieved by directly estimating the P(r) curve from the two-dimensional images. This article describes a Bayesian framework, using a Markov chain Monte Carlo method, for estimating the parameters of the indirect transform, and thus P(r), directly from the two-dimensional images. Using simulated detector images, it is demonstrated that this method yields P(r) curves nearly identical to the reference P(r). Furthermore, an approach for evaluating spatially correlated errors (such as those that arise from a detector point spread function) is evaluated. Accounting for these errors further improves the precision of the P(r) estimation. Experimental scattering data, where no ground truth reference P(r) is available, are used to demonstrate that this method yields a scattering and detector model that more closely reflects the two-dimensional data, as judged by smaller residuals in cross-validation, than P(r) obtained by indirect transformation of a one-dimensional profile. Finally, the method allows concurrent estimation of the beam center and Dmax, the longest interatomic distance in P(r), as part of the Bayesian Markov chain Monte Carlo method, reducing experimental effort and providing a well defined protocol for these

  2. The direct field boundary impedance of two-dimensional periodic structures with application to high frequency vibration prediction.

    PubMed

    Langley, Robin S; Cotoni, Vincent

    2010-04-01

    Large sections of many types of engineering construction can be considered to constitute a two-dimensional periodic structure, with examples ranging from an orthogonally stiffened shell to a honeycomb sandwich panel. In this paper, a method is presented for computing the boundary (or edge) impedance of a semi-infinite two-dimensional periodic structure, a quantity which is referred to as the direct field boundary impedance matrix. This terminology arises from the fact that none of the waves generated at the boundary (the direct field) are reflected back to the boundary in a semi-infinite system. The direct field impedance matrix can be used to calculate elastic wave transmission coefficients, and also to calculate the coupling loss factors (CLFs), which are required by the statistical energy analysis (SEA) approach to predicting high frequency vibration levels in built-up systems. The calculation of the relevant CLFs enables a two-dimensional periodic region of a structure to be modeled very efficiently as a single subsystem within SEA, and also within related methods, such as a recently developed hybrid approach, which couples the finite element method with SEA. The analysis is illustrated by various numerical examples involving stiffened plate structures.

  3. Direct laser writing of sub-50 nm nanofluidic channels buried in glass for three-dimensional micro-nanofluidic integration.

    PubMed

    Liao, Yang; Cheng, Ya; Liu, Changning; Song, Jiangxin; He, Fei; Shen, Yinglong; Chen, Danping; Xu, Zhizhan; Fan, Zhichao; Wei, Xunbin; Sugioka, Koji; Midorikawa, Katsumi

    2013-04-21

    We report on the fabrication of nanofluidic channels directly buried in silicate glass with transverse widths down to less than 50 nm using three-dimensional (3D) femtosecond laser direct writing. Using this technique, integrated micro-nanofluidic systems have been produced by simultaneously writing micro- and nanofluidic channels arranged into various 3D configurations in glass substrates. The fabricated micro- and nanofluidic systems have been used to demonstrate DNA analysis, e.g. stretching of DNA molecules. Our technique offers new opportunities to develop novel 3D micro-nanofluidic systems for a variety of lab-on-a-chip applications.

  4. Directionality of replication fork movement determined by two-dimensional native-native DNA agarose gel electrophoresis.

    PubMed

    Ivessa, Andreas S

    2013-01-01

    The analysis of replication intermediates by the neutral-neutral two-dimensional agarose gel technique allows determining the chromosomal positions where DNA replication initiates, whether replication forks pause or stall at specific sites, or whether two DNA molecules undergo DNA recombination events. This technique does not, however, immediately tell in which direction replication forks migrate through the DNA region under investigation. Here, we describe the procedure to determine the direction of replication fork progression by carrying out a restriction enzyme digest of DNA imbedded in agarose after the completion of the first dimension of a 2D gel.

  5. Hydroxyl-directed stereoselective diboration of alkenes.

    PubMed

    Blaisdell, Thomas P; Caya, Thomas C; Zhang, Liang; Sanz-Marco, Amparo; Morken, James P

    2014-07-02

    An alkoxide-catalyzed directed diboration of alkenyl alcohols is described. This reaction occurs in a stereoselective fashion and is demonstrated with cyclic and acyclic homoallylic and bishomoallylic alcohol substrates. After oxidation, the reaction generates 1,2-diols such that the process represents a method for the stereoselective directed dihydroxylation of alkenes.

  6. Follicular characteristics and intrafollicular concentrations of nitric oxide and ascorbic acid during ovarian acyclicity in water buffalo (Bubalus bubalis).

    PubMed

    Khan, Firdous Ahmad; Das, Goutam Kumar

    2012-01-01

    The objective of this study was to examine the follicular characteristics and intrafollicular concentrations of nitric oxide and ascorbic acid during ovarian acyclicity in buffaloes. Ovaries were collected from 56 acyclic and 95 cyclic buffaloes at slaughter, surface follicle number was counted and follicles were classified into small (5.0-6.9 mm), medium (7.0-9.9 mm), and large (≥ 10.0 mm) size categories based on their diameter. Follicular fluid was aspirated and assayed for nitric oxide, ascorbic acid, estradiol, and progesterone. Acyclic buffaloes had a higher (P<0.05) number of medium-sized follicles and a lower (P<0.001) number of large follicles than the cyclic ones. In acyclic animals, the number of large follicles was lower (P<0.01) than in medium size category which in turn was lower (P<0.001) than the number of small follicles. In contrast, the number of medium and large follicles was not different (P>0.05) in the cyclic control. However, the number of small-sized follicles was higher (P<0.001) compared to the other two categories. The incidence of large-sized follicles was lower (P<0.05) in acyclic buffalo population compared to the cyclic control. Evaluation of estrogenic status demonstrated that all the follicles of acyclic buffaloes are estrogen-inactive (E (2)/P (4) ratio<1). Small- and medium-sized follicles of acyclic buffaloes had higher concentrations of nitric oxide (P<0.05 and P<0.001, respectively) and lower concentrations of ascorbic acid (P<0.05 and P<0.01, respectively) than the corresponding size estrogen-active follicles of their cyclic counterparts. In conclusion, this study indicates that follicular development continues during acyclicity in buffaloes. Although follicles in some acyclic buffaloes attain a size corresponding to morphological dominance, they are unable to achieve functional dominance, perhaps due to an altered balance of intrafollicular nitric oxide and ascorbic acid and, as a result, these follicles instead of

  7. Projection of two-dimensional diffusion in narrow asymmetric channels onto the longitudinal direction

    SciTech Connect

    Pineda, Inti; Dagdug, Leonardo

    2014-01-14

    Diffusive transport of particles is a ubiquitous feature of physical, chemical and biological systems. Typical structures like pores, tubes or fibers, are quasi one-dimensional, such that we need to solve 2+1 or 3+1 dimensional differential equations to describe correctly transport along them. The so-called Fick-Jacobs approach dramatically simplifies the problem if one assumes that a solute distribution in any cross-section of the channel is uniform at equilibrium. That study focuses on the mapping of the diffusion equation in a two-dimensional narrow asymmetric channel of varying cross section onto the longitudinal coordinate. We present a generalization to the case of an asymmetric channel using the projection method introduced earlier by Kalinay and Percus. We derive an expansion of the effective diffusion coefficient, which represents corrections to the Fick-Jacobs equation and contains the well-known previous results as special cases. Finally, we study numerically some specific two-dimensional asymmetric channel configurations to test and show the broader applicability of this effective diffusion coefficient formula.

  8. Projection of two-dimensional diffusion in narrow asymmetric channels onto the longitudinal direction

    NASA Astrophysics Data System (ADS)

    Pineda, Inti; Dagdug, Leonardo

    2014-01-01

    Diffusive transport of particles is a ubiquitous feature of physical, chemical and biological systems. Typical structures like pores, tubes or fibers, are quasi one-dimensional, such that we need to solve 2+1 or 3+1 dimensional differential equations to describe correctly transport along them. The so-called Fick-Jacobs approach dramatically simplifies the problem if one assumes that a solute distribution in any cross-section of the channel is uniform at equilibrium. That study focuses on the mapping of the diffusion equation in a two-dimensional narrow asymmetric channel of varying cross section onto the longitudinal coordinate. We present a generalization to the case of an asymmetric channel using the projection method introduced earlier by Kalinay and Percus. We derive an expansion of the effective diffusion coefficient, which represents corrections to the Fick-Jacobs equation and contains the well-known previous results as special cases. Finally, we study numerically some specific two-dimensional asymmetric channel configurations to test and show the broader applicability of this effective diffusion coefficient formula.

  9. Next generation macrocyclic and acyclic cationic lipids for gene transfer: Synthesis and in vitro evaluation.

    PubMed

    Jubeli, Emile; Maginty, Amanda B; Abdul Khalique, Nada; Raju, Liji; Abdulhai, Mohamad; Nicholson, David G; Larsen, Helge; Pungente, Michael D; Goldring, William P D

    2015-10-01

    Previously we reported the synthesis and in vitro evaluation of four novel, short-chain cationic lipid gene delivery vectors, characterized by acyclic or macrocyclic hydrophobic regions composed of, or derived from, two 7-carbon chains. Herein we describe a revised synthesis of an expanded library of related cationic lipids to include extended chain analogues, their formulation with plasmid DNA (pDNA) and in vitro delivery into Chinese hamster ovarian (CHO-K1) cells. The formulations were evaluated against each other based on structural differences in the hydrophobic domain and headgroup. Structurally the library is divided into four sets based on lipids derived from two 7- or two 11-carbon hydrophobic chains, C7 and C11 respectively, which possess either a dimethylamine or a trimethylamine derived headgroup. Each set includes four cationic lipids based on an acyclic or macrocyclic, saturated or unsaturated hydrophobic domain. All lipids were co-formulated with the commercial cationic lipid 1,2-dimyristoyl-sn-glycero-3-ethylphosphocholine (EPC) in a 1:1 molar ratio, along with one of two distinct neutral co-lipids, cholesterol or 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (DOPE) in an overall cationic-to-neutral lipid molar ratio of 3:2. Binding of lipid formulations with DNA, and packing morphology associated with the individual lipid-DNA complexes were characterized by gel electrophoresis and small angle X-ray diffraction (SAXD), respectively. As a general trend, lipoplex formulations based on mismatched binary cationic lipids, composed of a shorter C7 lipid and the longer lipid EPC (C14), were generally associated with higher transfection efficiency and lower cytotoxicity than their more closely matched C11/EPC binary lipid formulation counterparts. Furthermore, the cyclic lipids gave transfection levels as high as or greater than their acyclic counterparts, and formulations with cholesterol exhibited higher transfection and lower cytotoxicity than those

  10. Acyclic phosph(on)ate inhibitors of Plasmodium falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase

    PubMed Central

    Clinch, Keith; Crump, Douglas R.; Evans, Gary B.; Hazleton, Keith Z.; Mason, Jennifer M.; Schramm, Vern L.

    2013-01-01

    The pathogenic protozoa responsible for malaria lack enzymes for the de novo synthesis of purines and rely on purine salvage from the host. In Plasmodium falciparum (Pf), hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT) converts hypoxanthine to inosine monophosphate and is essential for purine salvage making the enzyme an anti-malarial drug target. We have synthesized a number of simple acyclic aza-C- nucleosides and shown that some are potent inhibitors of Pf HGXPRT while showing excellent selectivity for the Pf versus the human enzyme. PMID:23810424

  11. Bacterial twitching motility is coordinated by a two-dimensional tug-of-war with directional memory

    NASA Astrophysics Data System (ADS)

    Marathe, Rahul; Meel, Claudia; Schmidt, Nora C.; Dewenter, Lena; Kurre, Rainer; Greune, Lilo; Alexander Schmidt, M.; Müller, Melanie J. I.; Lipowsky, Reinhard; Maier, Berenike; Klumpp, Stefan

    2014-05-01

    Type IV pili are ubiquitous bacterial motors that power surface motility. In peritrichously piliated species, it is unclear how multiple pili are coordinated to generate movement with directional persistence. Here we use a combined theoretical and experimental approach to test the hypothesis that multiple pili of Neisseria gonorrhoeae are coordinated through a tug-of-war. Based on force-dependent unbinding rates and pilus retraction speeds measured at the level of single pili, we build a tug-of-war model. Whereas the one-dimensional model robustly predicts persistent movement, the two-dimensional model requires a mechanism of directional memory provided by re-elongation of fully retracted pili and pilus bundling. Experimentally, we confirm memory in the form of bursts of pilus retractions. Bursts are seen even with bundling suppressed, indicating re-elongation from stable core complexes as the key mechanism of directional memory. Directional memory increases the surface range explored by motile bacteria and likely facilitates surface colonization.

  12. Meniscus-confined three-dimensional electrodeposition for direct writing of wire bonds.

    PubMed

    Hu, Jie; Yu, Min-Feng

    2010-07-16

    Continued progress in the electronics industry depends on downsizing, to a few micrometers, the wire bonds required for wiring integrated chips into circuit boards. We developed an electrodeposition method that exploits the thermodynamic stability of a microscale or nanoscale liquid meniscus to "write" pure copper and platinum three-dimensional structures of designed shapes and sizes in an ambient air environment. We demonstrated an automated wire-bonding process that enabled wire diameters of less than 1 micrometer and bond sizes of less than 3 micrometers, with a breakdown current density of more than 10(11) amperes per square meter for the wire bonds. The technology was used to fabricate high-density and high-quality interconnects, as well as complex three-dimensional microscale and even nanoscale metallic structures.

  13. Direct-Write, Self-Aligned Electrospinning on Paper for Controllable Fabrication of Three-Dimensional Structures.

    PubMed

    Luo, Guoxi; Teh, Kwok Siong; Liu, Yumeng; Zang, Xining; Wen, Zhiyu; Lin, Liwei

    2015-12-23

    Electrospinning, a process that converts a solution or melt droplet into an ejected jet under a high electric field, is a well-established technique to produce one-dimensional (1D) fibers or two-dimensional (2D) randomly arranged fibrous meshes. Nevertheless, the direct electrospinning of fibers into controllable three-dimensional (3D) architectures is still a nascent technology. Here, we apply near-field electrospinning (NFES) to directly write arbitrarily shaped 3D structures through consistent and spatially controlled fiber-by-fiber stacking of polyvinylidene fluoride (PVDF) fibers. An element central to the success of this 3D electrospinning is the use of a printing paper placed on the grounded conductive plate and acting as a fiber collector. Once deposited on the paper, residual solvents from near-field electrospun fibers can infiltrate the paper substrate, enhancing the charge transfer between the deposited fibers and the ground plate via the fibrous network within the paper. Such charge transfer grounds the deposited fibers and turns them into locally fabricated electrical poles, which attract subsequent in-flight fibers to deposit in a self-aligned manner on top of each other. This process enables the design and controlled fabrication of electrospun 3D structures such as grids, walls, hollow cylinders, and other 3D logos. As such, this technique has the potential to advance the existing electrospinning technologies in constructing 3D structures for biomedical, microelectronics, and MEMS/NMES applications.

  14. Direct observation of charge state in the quasi-one-dimensional conductor Li0.9Mo6O17

    PubMed Central

    Wu, Guoqing; Ye, Xiao-shan; Zeng, Xianghua; Wu, Bing; Clark, W. G.

    2016-01-01

    The quasi-one-dimensional conductor Li0.9Mo6O17 has been of great interest because of its unusual properties. It has a conducting phase with properties different from a simple Fermi liquid, a poorly understood “insulating” phase as indicated by a metal-“insulator” crossover (a mystery for over 30 years), and a superconducting phase which may involve spin triplet Cooper pairs as a three-dimensional (p-wave) non-conventional superconductor. Recent evidence suggests a density wave (DW) gapping regarding the metal-“insulator” crossover. However, the nature of the DW, such as whether it is due to the change in the charge state or spin state, and its relationship to the dimensional crossover and to the spin triplet superconductivity, remains elusive. Here by performing 7Li-/95Mo-nuclear magnetic resonance (NMR) spectroscopy, we directly observed the charge state which shows no signature of change in the electric field gradient (nuclear quadrupolar frequency) or in the distribution of it, thus providing direct experimental evidences demonstrating that the long mysterious metal-“insulator” crossover is not due to the charge density wave (CDW) that was thought, and the nature of the DW gapping is not CDW. This discovery opens a parallel path to the study of the electron spin state and its possible connections to other unusual properties. PMID:26853454

  15. Directed Abelian algebras and their application to stochastic models

    NASA Astrophysics Data System (ADS)

    Alcaraz, F. C.; Rittenberg, V.

    2008-10-01

    With each directed acyclic graph (this includes some D -dimensional lattices) one can associate some Abelian algebras that we call directed Abelian algebras (DAAs). On each site of the graph one attaches a generator of the algebra. These algebras depend on several parameters and are semisimple. Using any DAA, one can define a family of Hamiltonians which give the continuous time evolution of a stochastic process. The calculation of the spectra and ground-state wave functions (stationary state probability distributions) is an easy algebraic exercise. If one considers D -dimensional lattices and chooses Hamiltonians linear in the generators, in finite-size scaling the Hamiltonian spectrum is gapless with a critical dynamic exponent z=D . One possible application of the DAA is to sandpile models. In the paper we present this application, considering one- and two-dimensional lattices. In the one-dimensional case, when the DAA conserves the number of particles, the avalanches belong to the random walker universality class (critical exponent στ=3/2 ). We study the local density of particles inside large avalanches, showing a depletion of particles at the source of the avalanche and an enrichment at its end. In two dimensions we did extensive Monte-Carlo simulations and found στ=1.780±0.005 .

  16. DNA origami-directed, discrete three-dimensional plasmonic tetrahedron nanoarchitectures with tailored optical chirality.

    PubMed

    Dai, Gaole; Lu, Xuxing; Chen, Zhong; Meng, Chun; Ni, Weihai; Wang, Qiangbin

    2014-04-23

    Discrete, three-dimensional (3D) gold nanoparticle (AuNP) tetrahedron nanoarchitectures are successfully self-assembled with DNA origami as template with high purity (>85%). A distinct plasmonic chiral response is experimentally observed from the AuNP tetrahedron nanoarchitectures and appears in a configuration-dependent manner. The chiral optical properties are then rationally engineered by modifying the structural parameters including the AuNP size and interparticle distance. Theoretical study of the AuNP tetrahedron nanoarchitectures shows the dependence of the chiral optical property on the AuNP size and interparticle distance, consistent with the ensemble averaged measurements.

  17. Direct Observation of Mode-Coupling Instability in Two-Dimensional Plasma Crystals

    SciTech Connect

    Coueedel, L.; Nosenko, V.; Ivlev, A. V.; Zhdanov, S. K.; Thomas, H. M.; Morfill, G. E.

    2010-05-14

    Dedicated experiments on melting of two-dimensional plasma crystals were carried out. The melting was always accompanied by spontaneous growth of the particle kinetic energy, suggesting a universal plasma-driven mechanism underlying the process. By measuring three principal dust-lattice wave modes simultaneously, it is unambiguously demonstrated that the melting occurs due to the resonance coupling between two of the dust-lattice modes. The variation of the wave modes with the experimental conditions, including the emergence of the resonant (hybrid) branch, reveals exceptionally good agreement with the theory of mode-coupling instability.

  18. A novel acyclic oligomycin A derivative formed via retro-aldol rearrangement of oligomycin A.

    PubMed

    Lysenkova, Lyudmila N; Turchin, Konstantin F; Korolev, Alexander M; Bykov, Evgenyi E; Danilenko, Valery N; Bekker, Olga B; Trenin, Alexey S; Elizarov, Sergei M; Dezhenkova, Lyubov G; Shtil, Alexander A; Preobrazhenskaya, Maria N

    2012-08-01

    The antibiotic oligomycin A in the presence of K(2)CO(3) and n-Bu(4)NHSO(4) in chloroform in phase-transfer conditions afforded a novel derivative through the initial retro-aldol fragmentation of the 8,9 bond, followed by further transformation of the intermediate aldehyde. NMR, MS and quantum chemical calculations showed that the novel compound is the acyclic oligomycin A derivative, in which the 8,9 carbon bond is disrupted and two polyfunctional branches are connected with spiroketal moiety in positions C-23 and C-25. The tri-O-acetyl derivative of the novel derivative was prepared. The acyclic oligomycin A derivative retained the ability to induce apoptosis in tumor cells at low micromolar concentrations, whereas its antimicrobial potencies decreased substantially. The derivative virtually lost the inhibitory activity against F(0)F(1) ATP synthase-containing proteoliposomes, strongly suggesting the existence of the target(s) beyond F(0)F(1) ATP synthase that is important for the antitumor potency of oligomycin A.

  19. Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates

    NASA Astrophysics Data System (ADS)

    Small, Meagan C.; Aytenfisu, Asaminew H.; Lin, Fang-Yu; He, Xibing; MacKerell, Alexander D.

    2017-02-01

    The majority of computer simulations exploring biomolecular function employ Class I additive force fields (FF), which do not treat polarization explicitly. Accordingly, much effort has been made into developing models that go beyond the additive approximation. Development and optimization of the Drude polarizable FF has yielded parameters for selected lipids, proteins, DNA and a limited number of carbohydrates. The work presented here details parametrization of aliphatic aldehydes and ketones (viz. acetaldehyde, propionaldehyde, butaryaldehyde, isobutaryaldehyde, acetone, and butanone) as well as their associated acyclic sugars (uc(d)-allose and uc(d)-psicose). LJ parameters are optimized targeting experimental heats of vaporization and molecular volumes, while the electrostatic parameters are optimized targeting QM water interactions, dipole moments, and molecular polarizabilities. Bonded parameters are targeted to both QM and crystal survey values, with the models for ketones and aldehydes shown to be in good agreement with QM and experimental target data. The reported heats of vaporization and molecular volumes represent a compromise between the studied model compounds. Simulations of the model compounds show an increase in the magnitude and the fluctuations of the dipole moments in moving from gas phase to condensed phases, which is a phenomenon that the additive FF is intrinsically unable to reproduce. The result is a polarizable model for aliphatic ketones and aldehydes including the acyclic sugars uc(d)-allose and uc(d)-psicose, thereby extending the available biomolecules in the Drude polarizable FF.

  20. Tissue-engineered 3-dimensional (3D) microenvironment enhances the direct reprogramming of fibroblasts into cardiomyocytes by microRNAs

    PubMed Central

    Li, Yanzhen; Dal-Pra, Sophie; Mirotsou, Maria; Jayawardena, Tilanthi M.; Hodgkinson, Conrad P.; Bursac, Nenad; Dzau, Victor J.

    2016-01-01

    We have recently shown that a combination of microRNAs, miR combo, can directly reprogram cardiac fibroblasts into functional cardiomyocytes in vitro and in vivo. Reprogramming of cardiac fibroblasts by miR combo in vivo is associated with improved cardiac function following myocardial infarction. However, the efficiency of direct reprogramming in vitro is relatively modest and new strategies beyond the traditional two-dimensional (2D) culture should be identified to improve reprogramming process. Here, we report that a tissue-engineered three-dimensional (3D) hydrogel environment enhanced miR combo reprogramming of neonatal cardiac and tail-tip fibroblasts. This was associated with significantly increased MMPs expression in 3D vs. 2D cultured cells, while pharmacological inhibition of MMPs blocked the effect of the 3D culture on enhanced miR combo mediated reprogramming. We conclude that 3D tissue-engineered environment can enhance the direct reprogramming of fibroblasts to cardiomyocytes via a MMP-dependent mechanism. PMID:27941896

  1. Three-dimensional direct numerical simulation of soot formation and transport in a temporally evolving nonpremixed ethylene jet flame

    SciTech Connect

    Lignell, David O.; Chen, Jacqueline H.; Smith, Philip J.

    2008-10-15

    Three-dimensional direct numerical simulation of soot formation with complex chemistry is presented. The simulation consists of a temporally evolving, planar, nonpremixed ethylene jet flame with a validated, 19-species reduced mechanism. A four-step, three-moment, semiempirical soot model is employed. Previous two-dimensional decaying turbulence simulations have shown the importance of multidimensional flame dynamical effects on soot concentration [D.O. Lignell, J.H. Chen, P.J. Smith, T. Lu, C.K. Law, Combust. Flame 151 (1-2) (2007) 2-28]. It was shown that flame curvature strongly impacts the diffusive motion of the flame relative to soot (which is essentially convected with the flow), resulting in soot being differentially transported toward or away from the flame zone. The proximity of the soot to the flame directly influences soot reactivity and radiative properties. Here, the analysis is extended to three dimensions in a temporal jet configuration with mean shear. Results show that similar local flame dynamic effects of strain and curvature are important, but that enhanced turbulent mixing of fuel and oxidizer streams has a first-order effect on transport of soot toward flame zones. Soot modeling in turbulent flames is a challenge due to the complexity of soot formation and transport processes and the lack of detailed experimental soot-flame-flow structural data. The present direct numerical simulation provides the first step toward providing such data. (author)

  2. On Kraichnan's 'direct interaction approximation' and Kolmogoroff's theory in two-dimensional plasma turbulence

    SciTech Connect

    Kulsrud, R.M.; Sudan, R.N.

    1981-04-01

    The nonlinear damping in a strongly turbulent convecting plasma computed by Kraichnan's modified direct inteaction approximation and the power spectrum are rederived in a physically transparent form using Kolmogoroff's theory of turbulence.

  3. Direct-referencing Two-dimensional-array Digital Microfluidics Using Multi-layer Printed Circuit Board

    PubMed Central

    Gong, Jian; Kim, Chang-Jin “CJ”

    2008-01-01

    Digital (i.e. droplet-based) microfluidics, by the electrowetting-on-dielectric (EWOD) mechanism, has shown great potential for a wide range of applications, such as lab-on-a-chip. While most reported EWOD chips use a series of electrode pads essentially in one-dimensional line pattern designed for specific tasks, the desired universal chips allowing user-reconfigurable paths would require the electrode pads in two-dimensional pattern. However, to electrically access the electrode pads independently, conductive lines need to be fabricated underneath the pads in multiple layers, raising a cost issue especially for disposable chip applications. In this article, we report the building of digital microfluidic plates based on a printed-circuit-board (PCB), in which multilayer electrical access lines were created inexpensively using mature PCB technology. However, due to its surface topography and roughness and resulting high resistance against droplet movement, as-fabricated PCB surfaces require unacceptably high (~500 V) voltages unless coated with or immersed in oil. Our goal is EWOD operations of aqueous droplets not only on oil-covered but also on dry surfaces. To meet varying levels of performances, three types of gradually complex post-PCB microfabrication processes are developed and evaluated. By introducing land-grid-array (LGA) sockets in the packaging, a scalable digital microfluidics system with reconfigurable and low-cost chip is also demonstrated. PMID:19234613

  4. Alternating-direction implicit numerical solution of the time-dependent, three-dimensional, single fluid, resistive magnetohydrodynamic equations

    SciTech Connect

    Finan, C.H. III

    1980-12-01

    Resistive magnetohydrodynamics (MHD) is described by a set of eight coupled, nonlinear, three-dimensional, time-dependent, partial differential equations. A computer code, IMP (Implicit MHD Program), has been developed to solve these equations numerically by the method of finite differences on an Eulerian mesh. In this model, the equations are expressed in orthogonal curvilinear coordinates, making the code applicable to a variety of coordinate systems. The Douglas-Gunn algorithm for Alternating-Direction Implicit (ADI) temporal advancement is used to avoid the limitations in timestep size imposed by explicit methods. The equations are solved simultaneously to avoid syncronization errors.

  5. Femtosecond laser direct writing of large-area two-dimensional metallic photonic crystal structures on tungsten surfaces.

    PubMed

    Qiao, Hongzhen; Yang, Jianjun; Wang, Fei; Yang, Yang; Sun, Julong

    2015-10-05

    Metallic photonic crystals (MPCs) and metamaterials operating in the visible spectrum are required for high-temperature nanophotonics, but they are often difficult to construct. This study demonstrates a new approach to directly write two-dimensional (2D) MPCs on tungsten surfaces through the cylindrical focusing of two collinear femtosecond laser beams with certain temporal delays and orthogonal linear polarizations. Results are physically attributed to the laser-induced transient crossed temperature grating patterns and tempo-spatial thermal correlations. Optical properties of the fabricated MPCs are characterized. Such a simple and efficient technique can be used to fabricate large-area, 2D microstructures on metal surfaces for potential applications.

  6. Three dimensional complex plasma structures in a combined radio frequency and direct current discharge

    NASA Astrophysics Data System (ADS)

    Mitic, S.; Klumov, B. A.; Khrapak, S. A.; Morfill, G. E.

    2013-04-01

    We report on the first detailed analysis of large three dimensional (3D) complex plasma structures in experiments performed in pure rf and combined rf+dc discharge modes. Inductively coupled plasma is generated by an rf coil wrapped around the vertically positioned cylindrical glass tube at a pressure of 0.3 mbar. In addition, dc plasma can be generated by applying voltage to the electrodes at the ends of the tube far from the rf coil. The injected monodisperse particles are levitated in the plasma below the coil. A scanning laser sheet and a high resolution camera are used to determine the 3D positions of about 105 particles. The observed bowl-shaped particle clouds reveal coexistence of various structures, including well-distinguished solid-like, less ordered liquid-like, and pronounced string-like phases. New criteria to identify string-like structures are proposed.

  7. A Low-Complexity Method for Two-Dimensional Direction-of-Arrival Estimation Using an L-Shaped Array

    PubMed Central

    Wang, Qing; Yang, Hang; Chen, Hua; Dong, Yangyang; Wang, Laihua

    2017-01-01

    In this paper, a new low-complexity method for two-dimensional (2D) direction-of-arrival (DOA) estimation is proposed. Based on a cross-correlation matrix formed from the L-shaped array, the proposed algorithm obtains the automatic pairing elevation and azimuth angles without eigendecomposition, which can avoid high computational cost. In addition, the cross-correlation matrix eliminates the effect of noise, which can achieve better DOA performance. Then, the theoretical error of the algorithm is analyzed and the Cramer–Rao bound (CRB) for the direction of arrival estimation is derived . Simulation results demonstrate that, at low signal-to-noise ratios (SNRs) and with a small number of snapshots, in contrast to Tayem’s algorithm and Kikuchi’s algorithm, the proposed algorithm achieves better DOA performance with lower complexity, while, for Gu’s algorithm, the proposed algorithm has slightly inferior DOA performance but with significantly lower complexity. PMID:28106840

  8. Three-dimensional microfluidic channel with arbitrary length and configuration fabricated inside glass by femtosecond laser direct writing.

    PubMed

    Liao, Yang; Ju, Yongfeng; Zhang, Long; He, Fei; Zhang, Qiang; Shen, Yinglong; Chen, Danping; Cheng, Ya; Xu, Zhizhan; Sugioka, Koji; Midorikawa, Katsumi

    2010-10-01

    We demonstrate, for the first time to the best of our knowledge, fabrication of three-dimensional microfluidic channels with arbitrary lengths and configurations inside glass by femtosecond laser direct writing. The main fabrication process includes two steps: (1) direct formation of hollow microchannels in a porous glass substrate immersed in water by femtosecond laser ablation and (2) postannealing of the glass substrate at ∼1150°C by which the porous glass can be consolidated. We show that a square-wavelike channel with a total length of ∼1.4 cm and a diameter of ∼64 μm can be easily produced ∼250 μm beneath the glass surface.

  9. A Low-Complexity Method for Two-Dimensional Direction-of-Arrival Estimation Using an L-Shaped Array.

    PubMed

    Wang, Qing; Yang, Hang; Chen, Hua; Dong, Yangyang; Wang, Laihua

    2017-01-19

    In this paper, a new low-complexity method for two-dimensional (2D) direction-of-arrival (DOA) estimation is proposed. Based on a cross-correlation matrix formed from the L-shaped array, the proposed algorithm obtains the automatic pairing elevation and azimuth angles without eigendecomposition, which can avoid high computational cost. In addition, the cross-correlation matrix eliminates the effect of noise, which can achieve better DOA performance. Then, the theoretical error of the algorithm is analyzed and the Cramer-Rao bound (CRB) for the direction of arrival estimation is derived . Simulation results demonstrate that, at low signal-to-noise ratios (SNRs) and with a small number of snapshots, in contrast to Tayem's algorithm and Kikuchi's algorithm, the proposed algorithm achieves better DOA performance with lower complexity, while, for Gu's algorithm, the proposed algorithm has slightly inferior DOA performance but with significantly lower complexity.

  10. Patterned and functionalized nanofiber scaffolds in three-dimensional hydrogel constructs enhance neurite outgrowth and directional control

    NASA Astrophysics Data System (ADS)

    McMurtrey, Richard J.

    2014-12-01

    Objective. Neural tissue engineering holds incredible potential to restore functional capabilities to damaged neural tissue. It was hypothesized that patterned and functionalized nanofiber scaffolds could control neurite direction and enhance neurite outgrowth. Approach. A method of creating aligned electrospun nanofibers was implemented and fiber characteristics were analyzed using environmental scanning electron microscopy. Nanofibers were composed of polycaprolactone (PCL) polymer, PCL mixed with gelatin, or PCL with a laminin coating. Three-dimensional hydrogels were then integrated with embedded aligned nanofibers to support neuronal cell cultures. Microscopic images were captured at high-resolution in single and multi-focal planes with eGFP-expressing neuronal SH-SY5Y cells in a fluorescent channel and nanofiber scaffolding in another channel. Neuronal morphology and neurite tracking of nanofibers were then analyzed in detail. Main results. Aligned nanofibers were shown to enable significant control over the direction of neurite outgrowth in both two-dimensional (2D) and three-dimensional (3D) neuronal cultures. Laminin-functionalized nanofibers in 3D hyaluronic acid (HA) hydrogels enabled significant alignment of neurites with nanofibers, enabled significant neurite tracking of nanofibers, and significantly increased the distance over which neurites could extend. Specifically, the average length of neurites per cell in 3D HA constructs with laminin-functionalized nanofibers increased by 66% compared to the same laminin fibers on 2D laminin surfaces, increased by 59% compared to 2D laminin-coated surface without fibers, and increased by 1052% compared to HA constructs without fibers. Laminin functionalization of fibers also doubled average neurite length over plain PCL fibers in the same 3D HA constructs. In addition, neurites also demonstrated tracking directly along the fibers, with 66% of neurite lengths directly tracking laminin-coated fibers in 3D HA

  11. Detailed Multi-dimensional Modeling of Direct Internal Reforming Solid Oxide Fuel Cells.

    PubMed

    Tseronis, K; Fragkopoulos, I S; Bonis, I; Theodoropoulos, C

    2016-06-01

    Fuel flexibility is a significant advantage of solid oxide fuel cells (SOFCs) and can be attributed to their high operating temperature. Here we consider a direct internal reforming solid oxide fuel cell setup in which a separate fuel reformer is not required. We construct a multidimensional, detailed model of a planar solid oxide fuel cell, where mass transport in the fuel channel is modeled using the Stefan-Maxwell model, whereas the mass transport within the porous electrodes is simulated using the Dusty-Gas model. The resulting highly nonlinear model is built into COMSOL Multiphysics, a commercial computational fluid dynamics software, and is validated against experimental data from the literature. A number of parametric studies is performed to obtain insights on the direct internal reforming solid oxide fuel cell system behavior and efficiency, to aid the design procedure. It is shown that internal reforming results in temperature drop close to the inlet and that the direct internal reforming solid oxide fuel cell performance can be enhanced by increasing the operating temperature. It is also observed that decreases in the inlet temperature result in smoother temperature profiles and in the formation of reduced thermal gradients. Furthermore, the direct internal reforming solid oxide fuel cell performance was found to be affected by the thickness of the electrochemically-active anode catalyst layer, although not always substantially, due to the counter-balancing behavior of the activation and ohmic overpotentials.

  12. Detailed Multi‐dimensional Modeling of Direct Internal Reforming Solid Oxide Fuel Cells

    PubMed Central

    Tseronis, K.; Fragkopoulos, I.S.; Bonis, I.

    2016-01-01

    Abstract Fuel flexibility is a significant advantage of solid oxide fuel cells (SOFCs) and can be attributed to their high operating temperature. Here we consider a direct internal reforming solid oxide fuel cell setup in which a separate fuel reformer is not required. We construct a multidimensional, detailed model of a planar solid oxide fuel cell, where mass transport in the fuel channel is modeled using the Stefan‐Maxwell model, whereas the mass transport within the porous electrodes is simulated using the Dusty‐Gas model. The resulting highly nonlinear model is built into COMSOL Multiphysics, a commercial computational fluid dynamics software, and is validated against experimental data from the literature. A number of parametric studies is performed to obtain insights on the direct internal reforming solid oxide fuel cell system behavior and efficiency, to aid the design procedure. It is shown that internal reforming results in temperature drop close to the inlet and that the direct internal reforming solid oxide fuel cell performance can be enhanced by increasing the operating temperature. It is also observed that decreases in the inlet temperature result in smoother temperature profiles and in the formation of reduced thermal gradients. Furthermore, the direct internal reforming solid oxide fuel cell performance was found to be affected by the thickness of the electrochemically‐active anode catalyst layer, although not always substantially, due to the counter‐balancing behavior of the activation and ohmic overpotentials. PMID:27570502

  13. A semi-direct solver for compressible 3-dimensional rotational flow

    NASA Technical Reports Server (NTRS)

    Chang, S. C.; Adamczyk, J. J.

    1983-01-01

    An iterative procedure is presented for solving steady inviscid 3-D subsonic rotational flow problems. The procedure combines concepts from classical secondary flow theory with an extension to 3-D of a novel semi-direct Cauchy-Riemann solver. It is developed for generalized coordinates and can be exercised using standard finite difference procedures. The stability criterion of the iterative procedure is discussed along with its ability to capture the evolution of inviscid secondary flow in a turning channel.

  14. A semi-direct solver for compressible three-dimensional rotational flow

    NASA Technical Reports Server (NTRS)

    Chang, S.-C.; Adamczyk, J. J.

    1983-01-01

    An iterative procedure is presented for solving steady inviscid 3-D subsonic rotational flow problems. The procedure combines concepts from classical secondary flow theory with an extension to 3-D of a novel semi-direct Cauchy-Riemann solver. It is developed for generalized coordinates and can be exercised using standard finite difference procedures. The stability criterion of the iterative procedure is discussed along with its ability to capture the evolution of inviscid secondary flow in a turning channel.

  15. Separation of time scales in one-dimensional directed nucleation-growth processes

    NASA Astrophysics Data System (ADS)

    Pierobon, Paolo; Miné-Hattab, Judith; Cappello, Giovanni; Viovy, Jean-Louis; Lagomarsino, Marco Cosentino

    2010-12-01

    Proteins involved in homologous recombination such as RecA and hRad51 polymerize on single- and double-stranded DNA according to a nucleation-growth kinetics, which can be monitored by single-molecule in vitro assays. The basic models currently used to extract biochemical rates rely on ensemble averages and are typically based on an underlying process of bidirectional polymerization, in contrast with the often observed anisotropic polymerization of similar proteins. For these reasons, if one considers single-molecule experiments, the available models are useful to understand observations only in some regimes. In particular, recent experiments have highlighted a steplike polymerization kinetics. The classical model of one-dimensional nucleation growth, the Kolmogorov-Avrami-Mehl-Johnson (KAMJ) model, predicts the correct polymerization kinetics only in some regimes and fails to predict the steplike behavior. This work illustrates by simulations and analytical arguments the limitation of applicability of the KAMJ description and proposes a minimal model for the statistics of the steps based on the so-called stick-breaking stochastic process. We argue that this insight might be useful to extract information on the time and length scales involved in the polymerization kinetics.

  16. Microstructure Analysis and Multi-Unit Cell Model of Three Dimensionally Four-Directional Braided Composites

    NASA Astrophysics Data System (ADS)

    Xu, Kun; Qian, Xiaomei

    2015-02-01

    In this paper, a new multi-unit cell model of three dimensionally braided composites is presented on the basis of the microstructure analysis of 3D braided preforms produced by four-step 1 × 1 method. According to a new unit cell partition scheme, the multi-unit cell model possesses five kinds of unit cells, namely interior, exterior surface, interior surface, exterior corner and interior corner unit cells. Each type of the representative volume cell has unique microstructure and volume fraction in braided composites. On the basis of these five unit cell models, the structural geometry parameters of the preforms are analyzed and the relationship between the structural parameters and the braiding parameters in different regions are derived in detail, such as the braiding angles, fiber volume fraction, yarn packing factor, braiding pitch and so on. Finally, by using the multi-unit cell model, the main structural parameters of braided composites specimens are calculated to validate the effectiveness of the model. The results are in good agreement with the available experimental data. In addition, the effect of braiding angle on the squeezing condition of braiding yarn is analyzed. The variations of the volume proportion of five unit cells to the whole specimen with rows and columns are discussed, respectively. The presented multi-unit cell model can be adopted to design 3D braided composites and predict their mechanical properties.

  17. Direct three-dimensional characterization and multiscale visualization of wheat straw deconstruction by white rot fungus.

    PubMed

    Liu, Li; Qian, Chen; Jiang, Lei; Yu, Han-Qing

    2014-08-19

    Microbial degradation of lignocellulose for resource and energy recovery has received increasing interest. Despite its obvious importance, the mechanism behind the biodegradation, especially the changes of morphological structure and surface characteristics, has not been fully understood. Here, we used three-dimensional (3D) characterization and multiscale visualization methods, in combination with chemical compositional analyses, to elucidate the degradation process of wheat straw by a white rot fungus, Phanerochaete chrysosporium. It was found that the fungal attack initiated from stomata. Lignin of the straw decayed in both size and quantity, and heterogeneity in the biodegradation was observed. After treatment with the fungus, the straw surface turned from hydrophobic to hydrophilic, and the adhesion of the straw surface increased in the fungal degradation. The morphology of the straw outer layer became heterogeneous and loose with the formation of many holes with various sizes. The wasp-tunnels-like structure of the collenchyma and parenchyma of the straw as well as the fungal hyphae interspersed inside the straw structure were clearly visualized in the 3D reconstruction structure. This work offers a new insight into the mechanism of lignocellulose biodegradation and demonstrates that multiscale visualization methods could be a useful tool to explore such complex processes.

  18. Low-field one-dimensional and direction-dependent relaxation imaging of bovine articular cartilage

    NASA Astrophysics Data System (ADS)

    Rössler, Erik; Mattea, Carlos; Mollova, Ayret; Stapf, Siegfried

    2011-12-01

    The structure of articular cartilage is separated into three layers of differently oriented collagen fibers, which is accompanied by a gradient of increasing glycosaminoglycan (GAG) and decreasing water concentration from the top layer towards the bone interface. The combined effect of these structural variations results in a change of the longitudinal and transverse relaxation times as a function of the distance from the cartilage surface. In this paper, this dependence is investigated at a magnetic field strength of 0.27 T with a one-dimensional depth resolution of 50 μm on bovine hip and stifle joint articular cartilage. By employing this method, advantage is taken of the increasing contrast of the longitudinal relaxation rate found at lower magnetic field strengths. Furthermore, evidence for an orientational dependence of relaxation times with respect to an axis normal to the surface plane is given, an observation that has recently been reported using high-field MRI and that was explained by preferential orientations of collagen bundles in each of the three cartilage zones. In order to quantify the extent of a further contrast mechanism and to estimate spatially dependent glycosaminoglycan concentrations, the data are supplemented by proton relaxation times that were acquired in bovine articular cartilage that was soaked in a 0.8 mM aqueous Gd ++ solution.

  19. Future directions in 3-dimensional imaging and neurosurgery: stereoscopy and autostereoscopy.

    PubMed

    Christopher, Lauren A; William, Albert; Cohen-Gadol, Aaron A

    2013-01-01

    Recent advances in 3-dimensional (3-D) stereoscopic imaging have enabled 3-D display technologies in the operating room. We find 2 beneficial applications for the inclusion of 3-D imaging in clinical practice. The first is the real-time 3-D display in the surgical theater, which is useful for the neurosurgeon and observers. In surgery, a 3-D display can include a cutting-edge mixed-mode graphic overlay for image-guided surgery. The second application is to improve the training of residents and observers in neurosurgical techniques. This article documents the requirements of both applications for a 3-D system in the operating room and for clinical neurosurgical training, followed by a discussion of the strengths and weaknesses of the current and emerging 3-D display technologies. An important comparison between a new autostereoscopic display without glasses and current stereo display with glasses improves our understanding of the best applications for 3-D in neurosurgery. Today's multiview autostereoscopic display has 3 major benefits: It does not require glasses for viewing; it allows multiple views; and it improves the workflow for image-guided surgery registration and overlay tasks because of its depth-rendering format and tools. Two current limitations of the autostereoscopic display are that resolution is reduced and depth can be perceived as too shallow in some cases. Higher-resolution displays will be available soon, and the algorithms for depth inference from stereo can be improved. The stereoscopic and autostereoscopic systems from microscope cameras to displays were compared by the use of recorded and live content from surgery. To the best of our knowledge, this is the first report of application of autostereoscopy in neurosurgery.

  20. Ether lipid-ester prodrugs of acyclic nucleoside phosphonates: activity against adenovirus replication in vitro.

    PubMed

    Hartline, Caroll B; Gustin, Kortney M; Wan, William B; Ciesla, Stephanie L; Beadle, James R; Hostetler, Karl Y; Kern, Earl R

    2005-02-01

    The acyclic nucleoside phosphonate cidofovir (CDV) and its closely related analogue (S)-9-(3-hydroxy-2-phosphonylmethoxypropyl)-adenine ([S]-HPMPA) have been reported to have activity against many adenovirus (AdV) serotypes. A new series of orally active ether lipid-ester prodrugs of CDV and of (S)-HPMPA that have slight differences in the structure of their lipid esters were evaluated, in tissue-culture cells, for activity against 5 AdV serotypes. The results indicated that, against several AdV serotypes, the most active compounds were 15-2500-fold more active than the unmodified parent compounds and should be evaluated further for their potential to treat AdV infections in humans.

  1. Halogen bonding in water results in enhanced anion recognition in acyclic and rotaxane hosts

    NASA Astrophysics Data System (ADS)

    Langton, Matthew J.; Robinson, Sean W.; Marques, Igor; Félix, Vítor; Beer, Paul D.

    2014-12-01

    Halogen bonding (XB), the attractive interaction between an electron-deficient halogen atom and a Lewis base, has undergone a dramatic development as an intermolecular force analogous to hydrogen bonding (HB). However, its utilization in the solution phase remains underdeveloped. Furthermore, the design of receptors capable of strong and selective recognition of anions in water remains a significant challenge. Here we demonstrate the superiority of halogen bonding over hydrogen bonding for strong anion binding in water, to the extent that halide recognition by a simple acyclic mono-charged receptor is achievable. Quantification of iodide binding by rotaxane hosts reveals the strong binding by the XB-rotaxane is driven exclusively by favourable enthalpic contributions arising from the halogen-bonding interactions, whereas weaker association with the HB-rotaxanes is entropically driven. These observations demonstrate the unique nature of halogen bonding in water as a strong alternative interaction to the ubiquitous hydrogen bonding in molecular recognition and assembly.

  2. Acyclic Immucillin Phosphonates. Second-Generation Inhibitors of Plasmodium falciparum Hypoxanthine- Guanine-Xanthine Phosphoribosyltransferase

    SciTech Connect

    Hazelton, Keith Z.; Ho, Meng-Chaio; Cassera, Maria B.; Clinch, Keith; Crump, Douglas R.; Rosario Jr., Irving; Merino, Emilio F.; Almo, Steve C.; Tyler, Peter C.; Schramm, Vern L.

    2012-06-22

    We found that Plasmodium falciparum is the primary cause of deaths from malaria. It is a purine auxotroph and relies on hypoxanthine salvage from the host purine pool. Purine starvation as an antimalarial target has been validated by inhibition of purine nucleoside phosphorylase. Hypoxanthine depletion kills Plasmodium falciparum in cell culture and in Aotus monkey infections. Hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT) from P. falciparum is required for hypoxanthine salvage by forming inosine 5'-monophosphate, a branchpoint for all purine nucleotide synthesis in the parasite. We present a class of HGXPRT inhibitors, the acyclic immucillin phosphonates (AIPs), and cell permeable AIP prodrugs. The AIPs are simple, potent, selective, and biologically stable inhibitors. The AIP prodrugs block proliferation of cultured parasites by inhibiting the incorporation of hypoxanthine into the parasite nucleotide pool and validates HGXPRT as a target in malaria.

  3. The Acyclic Retinoid Peretinoin Inhibits Hepatitis C Virus Replication and Infectious Virus Release in Vitro

    NASA Astrophysics Data System (ADS)

    Shimakami, Tetsuro; Honda, Masao; Shirasaki, Takayoshi; Takabatake, Riuta; Liu, Fanwei; Murai, Kazuhisa; Shiomoto, Takayuki; Funaki, Masaya; Yamane, Daisuke; Murakami, Seishi; Lemon, Stanley M.; Kaneko, Shuichi

    2014-04-01

    Clinical studies suggest that the oral acyclic retinoid Peretinoin may reduce the recurrence of hepatocellular carcinoma (HCC) following surgical ablation of primary tumours. Since hepatitis C virus (HCV) infection is a major cause of HCC, we assessed whether Peretinoin and other retinoids have any effect on HCV infection. For this purpose, we measured the effects of several retinoids on the replication of genotype 1a, 1b, and 2a HCV in vitro. Peretinoin inhibited RNA replication for all genotypes and showed the strongest antiviral effect among the retinoids tested. Furthermore, it reduced infectious virus release by 80-90% without affecting virus assembly. These effects could be due to reduced signalling from lipid droplets, triglyceride abundance, and the expression of mature sterol regulatory element-binding protein 1c and fatty acid synthase. These negative effects of Peretinoin on HCV infection may be beneficial in addition to its potential for HCC chemoprevention in HCV-infected patients.

  4. Pd-Catalyzed N-Arylation of Secondary Acyclic Amides: Catalyst Development, Scope, and Computational Study

    PubMed Central

    Hicks, Jacqueline D.; Hyde, Alan M.; Cuezva, Alberto Martinez; Buchwald, Stephen L.

    2009-01-01

    We report the efficient N-arylation of acyclic secondary amides and related nucleophiles with aryl nonaflates, triflates, and chlorides. This method allows for easy variation of the aromatic component in tertiary aryl amides. A new biaryl phosphine with P-bound 3,5-(bis)trifluoromethylphenyl groups was found to be uniquely effective for this amidation. The critical aspects of the ligand were explored through synthetic, mechanistic, and computational studies. Systematic variation of the ligand revealed the importance of (1) a methoxy group on the aromatic carbon of the “top ring” ortho to the phosphorus and (2) two highly electron-withdrawing P-bound 3,5-(bis)trifluoromethylphenyl groups. Computational studies suggest the electron-deficient nature of the ligand is important in facilitating amide binding to the LPd(II)(Ph)(X) intermediate. PMID:19886610

  5. Direct E-jet printing of three-dimensional fibrous scaffold for tendon tissue engineering.

    PubMed

    Wu, Yang; Wang, Zuyong; Ying Hsi Fuh, Jerry; San Wong, Yoke; Wang, Wilson; San Thian, Eng

    2017-04-01

    Tissue engineering (TE) offers a promising strategy to restore diseased tendon tissue. However, a suitable scaffold for tendon TE has not been achieved with current fabrication techniques. Herein, we report the development of a novel electrohydrodynamic jet printing (E-jetting) for engineering 3D tendon scaffold with high porosity and orientated micrometer-size fibers. The E-jetted scaffold comprised tubular multilayered micrometer-size fibrous bundles, with interconnected spacing and geometric anisotropy along the longitudinal direction of the scaffold. Fiber diameter, stacking pattern, and interfiber distance have been observed to affect the structural stability of the scaffold, of which the enhanced mechanical strength can be obtained for scaffolds with thick fibers as the supporting layer. Human tenocytes showed a significant increase in cellular metabolism on the E-jetted scaffolds as compared to that on conventional electrospun scaffolds (2.7-, 2.8-, and 3.1-fold increase for 150, 300, and 600 µm interfiber distance, respectively; p < 0.05). Furthermore, the scaffolds provided structural support for human tenocytes to align with controlled orientation along the longitudinal direction of the scaffold, and promoted the expression of collagen type I. For the first time, E-jetting has been explored as a novel scaffolding approach for tendon TE, and offers a 3D fibrous scaffold to promote organized tissue reconstruction for potential tendon healing. © 2015 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 105B: 616-627, 2017.

  6. New acyclic secondary metabolites from the biologically active fraction of Albizia lebbeck flowers.

    PubMed

    Al-Massarani, Shaza M; El Gamal, Ali A; Abd El Halim, Mohamed F; Al-Said, Mansour S; Abdel-Kader, Maged S; Basudan, Omer A; Alqasoumi, Saleh I

    2017-01-01

    The total extract of Albizia lebbeck flowers was examined in vivo for its possible hepatoprotective activity in comparison with the standard drug silymarin at two doses. The higher dose expressed promising activity especially in reducing the levels of AST, ALT and bilirubin. Fractionation via liquid-liquid partition and reexamination of the fractions revealed that the n-butanol fraction was the best in improving liver biochemical parameters followed by the n-hexane fraction. However, serum lipid parameters were best improved with CHCl3 fraction. The promising biological activity results initiated an intensive chromatographic purification of A. lebbeck flowers fractions. Two compounds were identified from natural source for the first time, the acyclic farnesyl sesquiterpene glycoside1-O-[6-O-α-l-arabinopyranosyl-β-d-glucopyranoside]-(2E,6E-)-farnesol (6) and the squalene derivative 2,3-dihydroxy-2,3-dihydrosqualene (9), in addition to eight compounds reported here for the first time from the genus Albizia; two benzyl glycosides, benzyl 1-O-β-d-glucopyranoside (1) and benzyl 6-O-α-l-arabinopyranosyl β-d-glucopyranoside (2); three acyclic monoterpene glycosides, linalyl β-d-glucopyranoside (3) and linalyl 6-O-α-l-arabinopyranosyl-β-d-glucopyranoside (4); (2E)-3,7-dimethylocta-2,6-dienoate-6-O-α-l arabinopyranosyl-β-d-glucopyranoside (5), two oligoglycosides, n-hexyl-α-l arabinopyranosyl-(1 → 6)-β-d-glucopyranoside (creoside) (7) and n-octyl α-l-arabinopyranosyl-(1 → 6)-β-d-glucopyranoside (rhodiooctanoside) (8); and ethyl fructofuranoside (10). The structures of the isolated compounds were elucidated based on extensive examination of their spectroscopic 1D and 2D-NMR, MS, UV, and IR data. It is worth mentioning that, some of the isolated linalol glycoside derivatives were reported as aroma precursors.

  7. Note: Fast compact laser shutter using a direct current motor and three-dimensional printing

    SciTech Connect

    Zhang, Grace H. Braverman, Boris; Kawasaki, Akio; Vuletić, Vladan

    2015-12-15

    We present a mechanical laser shutter design that utilizes a direct current electric motor to rotate a blade which blocks and unblocks a light beam. The blade and the main body of the shutter are modeled with computer aided design (CAD) and are produced by 3D printing. Rubber flaps are used to limit the blade’s range of motion, reducing vibrations and preventing undesirable blade oscillations. At its nominal operating voltage, the shutter achieves a switching speed of (1.22 ± 0.02) m/s with 1 ms activation delay and 10 μs jitter in its timing performance. The shutter design is simple, easy to replicate, and highly reliable, showing no failure or degradation in performance over more than 10{sup 8} cycles.

  8. Direct manufacturing of ultrathin graphite on three-dimensional nanoscale features

    PubMed Central

    Pacios, Mercè; Hosseini, Peiman; Fan, Ye; He, Zhengyu; Krause, Oliver; Hutchison, John; Warner, Jamie H.; Bhaskaran, Harish

    2016-01-01

    There have been many successful attempts to grow high-quality large-area graphene on flat substrates. Doing so at the nanoscale has thus far been plagued by significant scalability problems, particularly because of the need for delicate transfer processes onto predefined features, which are necessarily low-yield processes and which can introduce undesirable residues. Herein we describe a highly scalable, clean and effective, in-situ method that uses thin film deposition techniques to directly grow on a continuous basis ultrathin graphite (uG) on uneven nanoscale surfaces. We then demonstrate that this is possible on a model system of atomic force probe tips of various radii. Further, we characterize the growth characteristics of this technique as well as the film’s superior conduction and lower adhesion at these scales. This sets the stage for such a process to allow the use of highly functional graphite in high-aspect-ratio nanoscale components. PMID:26939862

  9. Constraints on Universal Extra-Dimensional Dark Matter from Direct Detection Results

    NASA Astrophysics Data System (ADS)

    Torpin, Trevor; Duda, Gintaras

    2011-04-01

    Detection of dark matter is one of the most challenging and important problems in astro-particle physics. One theory that produces a viable particle dark matter candidate is Universal Extra Dimensions (UED), in which the existence of a 4th spatial dimension is theorized. The extra dimension is not seen because it is compactifed on a circular orbifold whose radius is too small to be observed with current technology. What separates this theory over other Kaluza-Klein-type theories is that UED allows all standard model particles and fields to propagate in the extra dimension. The dark matter candidate in UED theories is a stable particle known as the Lightest Kaluza-Klein Particle or LKP, and the LKP can exist with sufficient relic density to serve as the dark matter. This work will present bounds on UED model parameters from direct dark matter searches such as the CDMS II.

  10. Direct observation of quantum phonon fluctuations in a one-dimensional Bose gas.

    PubMed

    Armijo, Julien

    2012-06-01

    We report the first direct observation of collective quantum fluctuations in a continuous field. Shot-to-shot atom number fluctuations in small subvolumes of a weakly interacting, ultracold atomic 1D cloud are studied using in situ absorption imaging and statistical analysis of the density profiles. In the cloud centers, well in the quantum quasicondensate regime, the ratio of chemical potential to thermal energy is μ/k(B)T≃4, and, owing to high resolution, up to 20% of the microscopically observed fluctuations are quantum phonons. Within a nonlocal analysis at variable observation length, we observe a clear deviation from a classical field prediction, which reveals the emergence of dominant quantum fluctuations at short length scales, as the thermodynamic limit breaks down.

  11. Three-dimensional plasma structures with anomalous flow directions near the earth's bow shock

    SciTech Connect

    Paschmann, G.; Haerendel, G.; Sckopke, N.; Moebius, E. ); Luehr, H. ); Carlson, C.W. )

    1988-10-01

    They authors examined AMPTE IRM data obtained in the solar wind near the Earth's bow shock and found 16 well-defined cases where a region of hot subsonic plasma is embedded in the solar wind. They also find the low ({approximately}200 km/s) flow velocities, strongly deflected from the solar wind, and they substantially strengthen the local time dependence of the flow which invariably is directed dawnward for prenoon events and duskward for postnoon events. The results differ from the reported ISEE results in two respects. First, the flows they observe tend to have larger angles relative to the solar wind, and they often even have a sunward component. Second, the events they have selected cannot be described as diamagnetic cavities. This apparent discrepancy may simply result from different event selection criteria. A quantitative analysis of the regions flanking the hot core shows they consist of fast, nearly perpendicular, supercritical shocks on the outside and tangential discontinuities on the inside. Another new finding concerns the presence of enhanced fluxes of > 70-keV electrons which appear to be of magnetospheric origin. The majority of events which are not embedded in the solar wind but occur between the solar wind and the magnetosheath, at times replacing the regular bow shock. Among the mechanisms discussed as causes for these events are the formation of sunward directed plasma jets from magnetopause reconnection, or from amplification of magnetic stresses associated with rotational discontinuities in the interplanetary medium; sudden and localized enhancements of bow shock reflection; and the interaction of the bow shock with tangential discontinuities having a specific internal structure.

  12. Three-dimensional modeling of direct-drive cryogenic implosions on OMEGA

    SciTech Connect

    Igumenshchev, I. V.; Goncharov, V. N.; Marshall, F. J.; Knauer, J. P.; Campbell, E. M.; Forrest, C. J.; Froula, D. H.; Glebov, V. Yu.; McCrory, R. L.; Regan, S. P.; Sangster, T. C.; Skupsky, S.; Stoeckl, C.

    2016-05-04

    The effects of large-scale (with Legendre modes ≲10) laser-imposed nonuniformities in direct-drive cryogenic implosions on the OMEGA laser system are investigated using three-dimension hydrodynamic simulations performed using a newly developed code ASTER. Sources of these nonuniformities include an illumination pattern produced by 60 OMEGA laser beams, capsule offsets (~10 to 20 μm), and imperfect pointing, energy balance, and timing of the beams (with typical σrms ~10 μm, 10%, and 5 ps, respectively). Two implosion designs using 26-kJ triple-picket laser pulses were studied: a nominal design, in which a 880-μm-diameter capsule is illuminated by the same-diameter beams, and a “R75” design using a capsule of 900 μm in diameter and beams of 75% of this diameter. Simulations found that nonuniformities because of capsule offsets and beam imbalance have the largest effect on implosion performance. These nonuniformities lead to significant distortions of implosion cores resulting in an incomplete stagnation. The shape of distorted cores is well represented by neutron images, but loosely in x-rays. Simulated neutron spectra from perturbed implosions show large directional variations and up to ~ 2 keV variation of the hot spot temperature inferred from these spectra. The R75 design is more hydrodynamically efficient because of mitigation of crossed-beam energy transfer, but also suffers more from the nonuniformities. Furthermore, simulations predict a performance advantage of this design over the nominal design when the target offset and beam imbalance σrms are reduced to less than 5 μm and 5%, respectively.

  13. Three-dimensional modeling of direct-drive cryogenic implosions on OMEGA

    DOE PAGES

    Igumenshchev, I. V.; Goncharov, V. N.; Marshall, F. J.; ...

    2016-05-04

    The effects of large-scale (with Legendre modes ≲10) laser-imposed nonuniformities in direct-drive cryogenic implosions on the OMEGA laser system are investigated using three-dimension hydrodynamic simulations performed using a newly developed code ASTER. Sources of these nonuniformities include an illumination pattern produced by 60 OMEGA laser beams, capsule offsets (~10 to 20 μm), and imperfect pointing, energy balance, and timing of the beams (with typical σrms ~10 μm, 10%, and 5 ps, respectively). Two implosion designs using 26-kJ triple-picket laser pulses were studied: a nominal design, in which a 880-μm-diameter capsule is illuminated by the same-diameter beams, and a “R75” designmore » using a capsule of 900 μm in diameter and beams of 75% of this diameter. Simulations found that nonuniformities because of capsule offsets and beam imbalance have the largest effect on implosion performance. These nonuniformities lead to significant distortions of implosion cores resulting in an incomplete stagnation. The shape of distorted cores is well represented by neutron images, but loosely in x-rays. Simulated neutron spectra from perturbed implosions show large directional variations and up to ~ 2 keV variation of the hot spot temperature inferred from these spectra. The R75 design is more hydrodynamically efficient because of mitigation of crossed-beam energy transfer, but also suffers more from the nonuniformities. Furthermore, simulations predict a performance advantage of this design over the nominal design when the target offset and beam imbalance σrms are reduced to less than 5 μm and 5%, respectively.« less

  14. Investigation on the Bearing Abilities of Three-Dimensional Full Five-Directional Braided Composites with Cut-Edge

    NASA Astrophysics Data System (ADS)

    Wang, Yibo; Liu, Zhenguo; Lei, Bing; Huang, Xiang; Li, Xiaokang

    2016-11-01

    The longitudinal tensile experiments of cut-edge effect on the mechanical performance of three-dimensional full five-directional (3DF5D) braided composites were conducted. The specimens involved two different braiding angles and two different cutting ways. Fracture appearance of specimens without cut-edge and cutting along width direction presented flush, while explosive for specimen with cut-edge along thickness direction. The fracture of axis yarns mainly contributed to the damage of specimens. Cut-edge had little influence on the stiffness of 3DF5D braided composites and had approximately 20 % reduction in tensile strength compared with specimens without cut-edge. The periodic boundary conditions under cut-edge and uncut-edge situations were applied to the RVC to simulate the mesoscopic damage mechanism using finite element method. The stress-strain curves and damage evolution nephogram were obtained. The variation of cut-edge effect with the number of inner cells was predicted by superimposing inner cells method, the addition of inner cells could strengthen the performance of 3DF5D braided composites with cut-edge. These results will play an important role in evaluating the mechanical properties of braided materials after cutting.

  15. Towards a three-dimensional network of direct laser written waveguides on a chip for quantum optical experiments (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Landowski, Alexander; Schmidt, Michael; Renner, Michael; von Freymann, Georg; Widera, Artur

    2016-09-01

    Waveguide networks are essential to gain control over photons on a chip-scale level, for applications in, e.g., optical communication, light routing, and even quantum simulation. Quantum simulators on a chip use highly controllable pairs of single photons to shed light onto the role of entanglement in interacting many-body systems. We build three-dimensional waveguide networks on a chip using a commercial system for direct laser writing in a low fluorescent photoresist on a silica substrate and air cladding. Due to our capability to fabricate three-dimensional structures, we use special coupling structures, that enable addressing all input and output ports of our waveguide network through the substrate via one microscope objective simultaneously. Since the photoresist shows low fluorescence for excitation at 532 nm, we will be able to integrate single quantum emitters, such as color centers in diamond, into the waveguide, acting as integrated single quantum system. Here we present our current arc shaped coupling structure, discuss the limits of the single mode-operation of the waveguides and show first beamsplitting devices. We analyze the contributions to the damping in our network, including the bend loss for bend radii smaller than 10 µm.

  16. On the direct determination of three-dimensional crystallographic phases at low resolution: crambin at 6 A.

    PubMed

    Dorset, D L

    2000-04-11

    Using a pseudo-atom approach, the three-dimensional crystallographic phases for the protein crambin (a = 40.76, b = 18.49, c = 22.33 A, beta = 90.61 degrees, space group P2(1)) were determined to 6 A by direct methods. First, the centrosymmetric h0l set was assigned phases by symbolic addition, and the initial solution was then refined by Fourier methods. Phase values of strong reflections were then permuted, and the decision to change the phase value for two of these was made by consulting a cross-correlation of the experimental density histogram to the theoretical or known histogram for the protein. The two-dimensional basis was then extended by the Sayre equation into three dimensions by assigning a phase to a third allowed hkl origin-defining reflection and an algebraic value to another axial reflection. The correct solution was again identified by the histogram correlation, yielding a solution in which the mean phase error for all 98 reflections was 61.5 degrees or 23.1 degrees for the 21 most intense reflections. A parallel study with another protein indicates this method may have general utility.

  17. On the direct determination of three-dimensional crystallographic phases at low resolution: Crambin at 6 Å

    PubMed Central

    Dorset, Douglas L.

    2000-01-01

    Using a pseudo-atom approach, the three-dimensional crystallographic phases for the protein crambin (a = 40.76, b = 18.49, c = 22.33 Å, β = 90.61°, space group P21) were determined to 6 Å by direct methods. First, the centrosymmetric h0ℓ set was assigned phases by symbolic addition, and the initial solution was then refined by Fourier methods. Phase values of strong reflections were then permuted, and the decision to change the phase value for two of these was made by consulting a cross-correlation of the experimental density histogram to the theoretical or known histogram for the protein. The two-dimensional basis was then extended by the Sayre equation into three dimensions by assigning a phase to a third allowed hkℓ origin-defining reflection and an algebraic value to another axial reflection. The correct solution was again identified by the histogram correlation, yielding a solution in which the mean phase error for all 98 reflections was 61.5° or 23.1° for the 21 most intense reflections. A parallel study with another protein indicates this method may have general utility. PMID:10725378

  18. Clustering and fluidization in a one-dimensional granular system: Molecular dynamics and direct-simulation Monte Carlo method

    NASA Astrophysics Data System (ADS)

    Pasini, José Miguel; Cordero, Patricio

    2001-04-01

    We study a one-dimensional granular gas of pointlike particles not subject to gravity between two walls at temperatures Tleft and Tright. The system exhibits two distinct regimes, depending on the normalized temperature difference Δ=(Tright- Tleft)/(Tright+Tleft): one completely fluidized and one in which a cluster coexists with the fluidized gas. When Δ is above a certain threshold, cluster formation is fully inhibited, obtaining a completely fluidized state. The mechanism that produces these two phases is explained. In the fluidized state the velocity distribution function exhibits peculiar non-Gaussian features. For this state, comparison between integration of the Boltzmann equation using the direct-simulation Monte Carlo method and results stemming from microscopic Newtonian molecular dynamics gives good coincidence, establishing that the non-Gaussian features observed do not arise from the onset of correlations.

  19. Direct-numerical simulation of the glottal jet and vocal-fold dynamics in a three-dimensional laryngeal model

    PubMed Central

    Zheng, X.; Mittal, R.; Xue, Q.; Bielamowicz, S.

    2011-01-01

    An immersed-boundary method based flow solver coupled with a finite-element solid dynamics solver is employed in order to conduct direct-numerical simulations of phonatory dynamics in a three-dimensional model of the human larynx. The computed features of the glottal flow including mean and peak flow rates, and the open and skewness quotients are found to be within the normal physiological range. The flow-induced vibration pattern shows the classical “convergent-divergent” glottal shape, and the vibration amplitude is also found to be typical for human phonation. The vocal fold motion is analyzed through the method of empirical eigenfunctions and this analysis indicates a 1:1 modal entrainment between the “adduction-abduction” mode and the “mucosal wave” mode. The glottal jet is found to exhibit noticeable cycle-to-cycle asymmetric deflections and the mechanism underlying this phenomenon is examined. PMID:21786908

  20. A direct and quantitative three-dimensional reconstruction of the internal structure of disordered mesoporous carbon with tailored pore size.

    PubMed

    Balach, Juan; Soldera, Flavio; Acevedo, Diego F; Mücklich, Frank; Barbero, César A

    2013-06-01

    A new technique that allows direct three-dimensional (3D) investigations of mesopores in carbon materials and quantitative characterization of their physical properties is reported. Focused ion beam nanotomography (FIB-nt) is performed by a serial sectioning procedure with a dual beam FIB-scanning electron microscopy instrument. Mesoporous carbons (MPCs) with tailored mesopore size are produced by carbonization of resorcinol-formaldehyde gels in the presence of a cationic surfactant as a pore stabilizer. A visual 3D morphology representation of disordered porous carbon is shown. Pore size distribution of MPCs is determined by the FIB-nt technique and nitrogen sorption isotherm methods to compare both results. The obtained MPCs exhibit pore sizes of 4.7, 7.2, and 18.3 nm, and a specific surface area of ca. 560 m(2)/g.

  1. Two-dimensional chromatography method applied to the enantiomeric determination of lansoprazole in human plasma by direct sample injection.

    PubMed

    Gomes, Ricardo F; Cassiano, Neila M; Pedrazzoli, J; Cass, Quezia B

    2010-01-01

    A two-dimensional HPLC method based on the direct injection of biological samples has been developed and validated for the determination of lansoprazole enantiomers in human plasma. The lansoprazole enantiomers were extracted from the biological matrix using an octyl restricted access media bovine serum albumin column (C8 RAM BSA) and the enantioseparation was performed on an amylose tris(3,5-dimethoxyphenylcarbamate) chiral column using acetonitrile:water (35:65 v/v) and UV detection at 285 nm. Analysis time was 25 min with no time spent on sample preparation. The method was applied to the analysis of the plasma samples obtained from nine Brazilian volunteers who received a 30 mg oral dose of racemic lansoprazole and was able to quantify the enantiomers of lansoprazole in the clinical samples analyzed.

  2. Clustering and fluidization in a one-dimensional granular system: molecular dynamics and direct-simulation Monte Carlo method.

    PubMed

    Pasini, J M; Cordero, P

    2001-04-01

    We study a one-dimensional granular gas of pointlike particles not subject to gravity between two walls at temperatures T(left) and T(right). The system exhibits two distinct regimes, depending on the normalized temperature difference Delta=(T(right)-T(left))/(T(right)+T(left)): one completely fluidized and one in which a cluster coexists with the fluidized gas. When Delta is above a certain threshold, cluster formation is fully inhibited, obtaining a completely fluidized state. The mechanism that produces these two phases is explained. In the fluidized state the velocity distribution function exhibits peculiar non-Gaussian features. For this state, comparison between integration of the Boltzmann equation using the direct-simulation Monte Carlo method and results stemming from microscopic Newtonian molecular dynamics gives good coincidence, establishing that the non-Gaussian features observed do not arise from the onset of correlations.

  3. Strategies for directing the structure and function of three-dimensional collagen biomaterials across length scales.

    PubMed

    Walters, B D; Stegemann, J P

    2014-04-01

    Collagen type I is a widely used natural biomaterial that has found utility in a variety of biological and medical applications. Its well-characterized structure and role as an extracellular matrix protein make it a highly relevant material for controlling cell function and mimicking tissue properties. Collagen type I is abundant in a number of tissues, and can be isolated as a purified protein. This review focuses on hydrogel biomaterials made by reconstituting collagen type I from a solubilized form, with an emphasis on in vitro studies in which collagen structure can be controlled. The hierarchical structure of collagen from the nanoscale to the macroscale is described, with an emphasis on how structure is related to function across scales. Methods of reconstituting collagen into hydrogel materials are presented, including molding of macroscopic constructs, creation of microscale modules and electrospinning of nanoscale fibers. The modification of collagen biomaterials to achieve the desired structures and functions is also addressed, with particular emphasis on mechanical control of collagen structure, creation of collagen composite materials and crosslinking of collagenous matrices. Biomaterials scientists have made remarkable progress in rationally designing collagen-based biomaterials and in applying them both to the study of biology and for therapeutic benefit. This broad review illustrates recent examples of techniques used to control collagen structure and thereby to direct its biological and mechanical functions.

  4. Direct three dimensional observation of the microstructure and chemistry of C3S hydration

    NASA Astrophysics Data System (ADS)

    Hu, Qinang

    Although portland cement has been used for over a hundred years as the binder in concrete, the basic mechanism of hydration is still not well understood. Progress has been halted for the fact that it is challenging for most current experimental techniques to give direct observation of the hydration process in-situ and provide quantitative measurement on the microstructure and chemistry at the nano-length scale. Recent advances of nano scale X-ray imaging make nano-tomography and nano-X-ray fluorescence reality. The nano-scale X-ray beams in these techniques allow the sample to be imaged nondestructively and provide a high transmission of signal that penetrate through both sample materials and a possible solution environment, which could make themselves in-situ techniques. Moreover, these techniques can be combined to enrich both datasets to become a more powerful technique. In this dissertation, the applications of both techniques have been established from micron lab scale experiment to nano-synchrotron investigation for studying cementitious materials. The progresses have been shown from first application on 3D chemical characterization of fly ash particles at the nanoscale to later updated versions of in-situ experiments for studying cement hydration, which allow quantitative measurements on 3D structure, chemistry and mass density of hydration products at different hydration periods. These unprecedented discoveries could lead to a breakthrough for both nanoscale analysis of any material and cement hydration research.

  5. Three-Dimensional Nanometer Features of Direct Current Electrical Trees in Low-Density Polyethylene.

    PubMed

    Pallon, Love K H; Nilsson, Fritjof; Yu, Shun; Liu, Dongming; Diaz, Ana; Holler, Mirko; Chen, Xiangrong R; Gubanski, Stanislaw; Hedenqvist, Mikael S; Olsson, Richard T; Gedde, Ulf W

    2017-03-08

    Electrical trees are one reason for the breakdown of insulating materials in electrical power systems. An understanding of the growth of electrical trees plays a crucial role in the development of reliable high voltage direct current (HVDC) power grid systems with transmission voltages up to 1 MV. A section that contained an electrical tree in low-density polyethylene (LDPE) has been visualized in three dimensions (3D) with a resolution of 92 nm by X-ray ptychographic tomography. The 3D imaging revealed prechannel-formations with a lower density with the width of a couple of hundred nanometers formed around the main branch of the electrical tree. The prechannel structures were partially connected with the main tree via paths through material with a lower density, proving that the tree had grown in a step-by-step manner via the prestep structures formed in front of the main channels. All the prechannel structures had a size well below the limit of the Paschen law and were thus not formed by partial discharges. Instead, it is suggested that the prechannel structures were formed by electro-mechanical stress and impact ionization, where the former was confirmed by simulations to be a potential explanation with electro-mechanical stress tensors being almost of the same order of magnitude as the short-term modulus of low-density polyethylene.

  6. Direct laser writing of three-dimensional network structures as templates for disordered photonic materials

    NASA Astrophysics Data System (ADS)

    Haberko, Jakub; Muller, Nicolas; Scheffold, Frank

    2013-10-01

    In the present article we substantially expand on our recent study about the fabrication of mesoscale polymeric templates of disordered photonic network materials [Haberko and Scheffold, Opt. Expr.OPEXFF1094-408710.1364/OE.21.001057 21, 1057 (2013)]. We present a detailed analysis and discussion of important technical aspects related to the fabrication and characterization of these fascinating materials. Compared to our initial report we were able to reduce the typical structural length scale of the seed pattern from a=3.3μm to a=2μm, bringing it closer to the technologically relevant fiber-optic communications wavelength range around λ˜1.5μm. We have employed scanning electron microscopy coupled with focused ion beam cutting to look inside the bulk of the samples of different heights. Moreover, we demonstrate the use of laser scanning confocal microscopy to assess the real space structure of the samples fabricated by direct laser writing. We address in detail questions about scalability, finite size effects, and geometrical distortions. We also study the effect of the lithographic voxel shape, that is, the ellipsoidal shape of the laser pen used in the fabrication process. To this end we employ detailed numerical modeling of the scattering function using a discrete dipole approximation scheme.

  7. Three dimensional mapping of Fe dopants in ceria nanocrystals using direct spectroscopic electron tomography.

    PubMed

    Goris, Bart; Meledina, Maria; Turner, Stuart; Zhong, Zhichao; Batenburg, K Joost; Bals, Sara

    2016-12-01

    Electron tomography is a powerful technique for the 3D characterization of the morphology of nanostructures. Nevertheless, resolving the chemical composition of complex nanostructures in 3D remains challenging and the number of studies in which electron energy loss spectroscopy (EELS) is combined with tomography is limited. During the last decade, dedicated reconstruction algorithms have been developed for HAADF-STEM tomography using prior knowledge about the investigated sample. Here, we will use the prior knowledge that the experimental spectrum of each reconstructed voxel is a linear combination of a well-known set of references spectra in a so-called direct spectroscopic tomography technique. Based on a simulation experiment, it is shown that this technique provides superior results in comparison to conventional reconstruction methods for spectroscopic data, especially for spectrum images containing a relatively low signal to noise ratio. Next, this technique is used to investigate the spatial distribution of Fe dopants in Fe:Ceria nanoparticles in 3D. It is shown that the presence of the Fe(2+) dopants is correlated with a reduction of the Ce atoms from Ce(4+) towards Ce(3+). In addition, it is demonstrated that most of the Fe dopants are located near the voids inside the nanoparticle.

  8. Palladium(II)-catalyzed direct alkenylation of nonaromatic enamides.

    PubMed

    Gigant, Nicolas; Gillaizeau, Isabelle

    2012-07-06

    A mild and efficient method for the direct alkenylation of nonaromatic enamides was achieved through a palladium(II)-catalyzed C-H functionalization. The reaction scope includes cyclic and acyclic enamides and a range of activated alkenes. This approach represents the first successful direct C(3)-functionalization of nonaromatic cyclic enamides.

  9. Synergistic effects of acyclic retinoid and OSI-461 on growth inhibition and gene expression in human hepatoma cells.

    PubMed

    Shimizu, Masahito; Suzui, Masumi; Deguchi, Atsuko; Lim, Jin T E; Xiao, Danhua; Hayes, Julia H; Papadopoulos, Kyriakos P; Weinstein, I Bernard

    2004-10-01

    Hepatoma is one of the most frequently occurring cancers worldwide. However, effective chemotherapeutic agents for this disease have not been developed. Acyclic retinoid, a novel synthetic retinoid, can reduce the incidence of postsurgical recurrence of hepatoma and improve the survival rate. OSI-461, a potent derivative of exisulind, can increase intracellular levels of cyclic GMP, which leads to activation of protein kinase G and induction of apoptosis in cancer cells. In the present study, we examined the combined effects of acyclic retinoid plus OSI-461 in the HepG2 human hepatoma cell line. We found that the combination of as little as 1.0 micromol/L acyclic retinoid and 0.01 micromol/L OSI-461 exerted synergistic inhibition of the growth of HepG2 cells. Combined treatment with low concentrations of these two agents also acted synergistically to induce apoptosis in HepG2 cells through induction of Bax and Apaf-1, reduction of Bcl-2 and Bcl-xL, and activation of caspase-3, -8, and -9. OSI-461 enhanced the G0-G1 arrest caused by acyclic retinoid, and the combination of these agents caused a synergistic decrease in the levels of expression of cyclin D1 protein and mRNA, inhibited cyclin D1 promoter activity, decreased the level of hyperphosphorylated forms of the Rb protein, induced increased cellular levels of the p21(CIP1) protein and mRNA, and stimulated p21(CIP1) promoter activity. Moreover, OSI-461 enhanced the ability of acyclic retinoid to induce increased cellular levels of retinoic acid receptor beta and to stimulate retinoic acid response element-chloramphenicol acetyltransferase activity. A hypothetical model involving concerted effects on p21(CIP1) and retinoic acid receptor beta expression is proposed to explain these synergistic effects. Our results suggest that the combination of acyclic retinoid plus OSI-461 might be an effective regimen for the chemoprevention and chemotherapy of human hepatoma and possibly other malignancies.

  10. Direct experimental visualization of the global Hamiltonian progression of two-dimensional Lagrangian flow topologies from integrable to chaotic state

    SciTech Connect

    Baskan, O.; Clercx, H. J. H; Speetjens, M. F. M.; Metcalfe, G.

    2015-10-15

    Countless theoretical/numerical studies on transport and mixing in two-dimensional (2D) unsteady flows lean on the assumption that Hamiltonian mechanisms govern the Lagrangian dynamics of passive tracers. However, experimental studies specifically investigating said mechanisms are rare. Moreover, they typically concern local behavior in specific states (usually far away from the integrable state) and generally expose this indirectly by dye visualization. Laboratory experiments explicitly addressing the global Hamiltonian progression of the Lagrangian flow topology entirely from integrable to chaotic state, i.e., the fundamental route to efficient transport by chaotic advection, appear non-existent. This motivates our study on experimental visualization of this progression by direct measurement of Poincaré sections of passive tracer particles in a representative 2D time-periodic flow. This admits (i) accurate replication of the experimental initial conditions, facilitating true one-to-one comparison of simulated and measured behavior, and (ii) direct experimental investigation of the ensuing Lagrangian dynamics. The analysis reveals a close agreement between computations and observations and thus experimentally validates the full global Hamiltonian progression at a great level of detail.

  11. Direct reconstruction in CT-analogous pharmacokinetic diffuse fluorescence tomography: two-dimensional simulative and experimental validations

    NASA Astrophysics Data System (ADS)

    Wang, Xin; Zhang, Yanqi; Zhang, Limin; Li, Jiao; Zhou, Zhongxing; Zhao, Huijuan; Gao, Feng

    2016-04-01

    We present a generalized strategy for direct reconstruction in pharmacokinetic diffuse fluorescence tomography (DFT) with CT-analogous scanning mode, which can accomplish one-step reconstruction of the indocyanine-green pharmacokinetic-rate images within in vivo small animals by incorporating the compartmental kinetic model into an adaptive extended Kalman filtering scheme and using an instantaneous sampling dataset. This scheme, compared with the established indirect and direct methods, eliminates the interim error of the DFT inversion and relaxes the expensive requirement of the instrument for obtaining highly time-resolved date-sets of complete 360 deg projections. The scheme is validated by two-dimensional simulations for the two-compartment model and pilot phantom experiments for the one-compartment model, suggesting that the proposed method can estimate the compartmental concentrations and the pharmacokinetic-rates simultaneously with a fair quantitative and localization accuracy, and is well suitable for cost-effective and dense-sampling instrumentation based on the highly-sensitive photon counting technique.

  12. Application of a Three-Dimensional Shell Theory to the Free Vibration of Shells Arbitrarily Deep in One Direction

    NASA Astrophysics Data System (ADS)

    YOUNG, P. G.

    2000-11-01

    A three-dimensional shell theory is presented which is applicable to doubly curved thick open shells which are arbitrarily deep (have a large side-length to radius of curvature ratio) in one principal direction but are shallow in the other direction. The strain-displacement equations for the proposed “deep-shallow” shell theory are expressed in Cartesian co-ordinates and the limits of applicability of these equations are discussed. These equations are then used in a Ritz variational formulation with algebraic polynomials as trial functions to solve for the natural frequencies of a number of doubly curved shell problems. A novel approach is also proposed in which penalty functions are introduced to enforce continuity of displacements at two opposite ends of a shell of rectangular platform, increasing the range of problems which can be treated to include closed shells, such as cylinders, barrels, cooling-tower-type structures, toroids, rings, etc. (a sub-class of shells of revolution).

  13. Overland flow computations in urban and industrial catchments from direct precipitation data using a two-dimensional shallow water model.

    PubMed

    Cea, L; Garrido, M; Puertas, J; Jácome, A; Del Río, H; Suárez, J

    2010-01-01

    This paper presents the experimental validation and the application to a real industrial catchment of a two-dimensional depth-averaged shallow water model used for the computation of rainfall-runoff transformation from direct precipitation data. Instead of using the common approach in flood inundation modelling, which consists in computing the water depth and velocity fields given the water discharge, in this study the rainfall intensity is imposed directly in the model, the surface runoff being generated automatically. The model considers infiltration losses simultaneously with flow simulation. Gullies are also included in the model, although the coupling between the surface runoff and the sewer network is not considered. Experimental validation of the model is presented in several simplified laboratory configurations of urban catchments, in which the surface runoff has been measured for different hyetographs. The application to a real industrial catchment includes a sewer network flow component, which is solved with the SWMM model. The numerical predictions of the discharge hydrograph generated by a 12 hours storm event are compared with field measurements, providing encouraging results.

  14. Vasoinhibin, an N-terminal Prolactin Fragment, Directly Inhibits Cardiac Angiogenesis in Three-dimensional Heart Culture

    PubMed Central

    Nakajima, Ryojun; Nakamura, Eri; Harigaya, Toshio

    2017-01-01

    Vasoinhibins (Vi) are fragments of the growth hormone/prolactin (PRL) family and have antiangiogenic functions in many species. It is considered that Vi derived from PRL are involved in the pathogenesis of peripartum cardiomyopathy (PPCM). However, the pathogenic mechanism of PPCM, as well as heart angiogenesis, is not yet clear. Therefore, the aim of the present study is to clarify whether Vi act directly on angiogenesis inhibition in heart blood vessels. Endothelial cell viability was decreased by Vi treatment in a culture experiment. Furthermore, expression of proangiogenic genes, such as vascular endothelial growth factor, endothelial nitric oxide synthase, and VE-cadherin, were decreased. On the other hand, apoptotic factor gene, caspase 3, and inflammatory factor genes, tumor necrosis factor α and interleukin 6, were increased by Vi treatment. In three-dimensional left ventricular wall angiogenesis assay in mice, Vi treatment also inhibited cell migration, neovessel sprouting, and growth toward collagen gel. These data demonstrate that Vi treatment directly suppresses angiogenesis of the heart and support the hypothesis that Vi induce PPCM. PMID:28163696

  15. The preparation and intra- and intermolecular addition reactions of acyclic N-acylimines: application to the synthesis of (+/-)-sertraline.

    PubMed

    DeNinno, M P; Eller, C; Etienne, J B

    2001-10-19

    Intramolecular endo-cyclization reactions of N-acyliminium ions have seen wide application for the synthesis of heterocyclic compounds. The corresponding exocyclic variant, which would provide 1-aminotetralin derivatives, for example, has little precedent. We have discovered that acyclic N-acylcarbamates can be readily reduced to the corresponding N-acylhemiaminal derivatives in high yield using DIBAL as the reducing agent. These intermediates are remarkably stable and, if desired, can be purified and stored. The acyclic N-acylhemiaminals undergo both intra- and intermolecular nucleophilic addition reactions mediated by strong Lewis acids, such as TiCl(4). Diastereoselectivity, induced either by a substituent on the newly formed ring, or by utilizing a chiral ester on the carbamic acid, was disappointingly low. This methodology was successfully applied to the synthesis of the racemic form of the marketed antidepressant sertraline.

  16. Bi-directional-bi-dimensionality alignment of self-supporting Mn3O4 nanorod and nanotube arrays with different bacteriostasis and magnetism

    NASA Astrophysics Data System (ADS)

    Chen, Qun; Wei, Chengzhen; Gao, Feng; Pang, Huan; Lu, Qingyi

    2013-11-01

    Self-supported Mn3O4 patterns of aligned nanorods and nanotubes were synthesized through a bi-directional-bi-dimensionality growth model by using sodium gluconate and urea as additives under mild hydrothermal conditions without the use of any substrates. In one direction, Mn3O4 grows to form one-dimensional nanorods or nanotubes, while in the other direction Mn3O4 grows into two-dimensional nanoplates to support the nanorods or nanotubes to align into arrays. These two kinds of new nanostructures, a nanotube pattern and a nanorod pattern, show similar and good bacteriostasis for Gram positive bacteria, but for Gram negative bacteria the nanotube pattern shows much better bacterial restraint than the nanorod pattern. Magnetic studies show that the nanorod arrays display similar magnetic properties to the commercial Mn3O4, while the nanotube arrays show different ferromagnetic behaviors with enhanced remnant magnetization and saturation magnetization (Ms) at low temperature.Self-supported Mn3O4 patterns of aligned nanorods and nanotubes were synthesized through a bi-directional-bi-dimensionality growth model by using sodium gluconate and urea as additives under mild hydrothermal conditions without the use of any substrates. In one direction, Mn3O4 grows to form one-dimensional nanorods or nanotubes, while in the other direction Mn3O4 grows into two-dimensional nanoplates to support the nanorods or nanotubes to align into arrays. These two kinds of new nanostructures, a nanotube pattern and a nanorod pattern, show similar and good bacteriostasis for Gram positive bacteria, but for Gram negative bacteria the nanotube pattern shows much better bacterial restraint than the nanorod pattern. Magnetic studies show that the nanorod arrays display similar magnetic properties to the commercial Mn3O4, while the nanotube arrays show different ferromagnetic behaviors with enhanced remnant magnetization and saturation magnetization (Ms) at low temperature. Electronic supplementary

  17. Three-dimensional direct numerical simulation of electromagnetically driven multiscale shallow layer flows: Numerical modeling and physical properties

    NASA Astrophysics Data System (ADS)

    Lardeau, Sylvain; Ferrari, Simone; Rossi, Lionel

    2008-12-01

    Three-dimensional (3D) direct numerical simulations of a flow driven by multiscale electromagnetic forcing are performed in order to reproduce with maximum accuracy the quasi-two-dimensional (2D) flow generated by the same multiscale forcing in the laboratory. The method presented is based on a 3D description of the flow and the electromagnetic forcing. Very good agreements between our simulations and the experiments are found both on velocity and acceleration field, this last comparison being, to our knowledge, done for the first time. Such agreement requires that both experiments and simulations are carefully performed and, more importantly, that the underlying simplification to model the experiments and the multiscale electromagnetic forcing do not introduce significant errors. The results presented in this paper differ significantly from previous 2D direct numerical simulation in which a classical linear Rayleigh friction modeling term was used to mimic the effect of the wall-normal friction. Indeed, purely 2D simulations are found to underestimate the Reynolds number and, due to the dominance of nonhomogeneous bottom friction, lead to the wrong physical mechanism. For the range of conditions presented in this paper, the Reynolds number, defined by the ratio between acceleration and viscous terms, remains the order of unity, and the Hartmann number, defined by the ratio between electromagnetic force terms and viscous terms, is about 2. The main conclusion is that 3D simulations are required to model the (3D) electromagnetic forces and the wall-normal shear. Indeed, even if the flow is quasi-2D in terms of energy, a full 3D approach is required to simulate these shallow layer flows driven by multiscale electromagnetic forcing. In the range of forcing intensity investigated in this paper, these multiscale flows remain quasi-2D, with negligible energy in the wall-normal velocity component. It is also shown that the driving terms are the electromagnetic forcing and

  18. Accuracy of three-dimensional versus two-dimensional echocardiography for quantification of aortic regurgitation and validation by three-dimensional three-directional velocity-encoded magnetic resonance imaging.

    PubMed

    Ewe, See Hooi; Delgado, Victoria; van der Geest, Rob; Westenberg, Jos J M; Haeck, Marlieke L A; Witkowski, Tomasz G; Auger, Dominique; Marsan, Nina Ajmone; Holman, Eduard R; de Roos, Albert; Schalij, Martin J; Bax, Jeroen J; Sieders, Allard; Siebelink, Hans-Marc J

    2013-08-15

    Quantitative assessment of aortic regurgitation (AR) remains challenging. The present study evaluated the accuracy of 2-dimensional (2D) and 3-dimensional (3D) transthoracic echocardiography (TTE) for AR quantification, using 3D 3-directional velocity-encoded magnetic resonance imaging (VE-MRI) as the reference method. Thirty-two AR patients were included. With color Doppler TTE, 2D effective regurgitant orifice area (EROA) was calculated using the proximal isovelocity surface area method. From the 3D TTE multiplanar reformation data, 3D-EROA was calculated by planimetry of the vena contracta. Regurgitant volumes (RVol) were obtained by multiplying the 2D-EROA and 3D-EROA by the velocity-time integral of AR jet and compared with that obtained using VE-MRI. For the entire population, 3D TTE RVol demonstrated a strong correlation and good agreement with VE-MRI RVol (r = 0.94 and -13.6 to 15.6 ml/beat, respectively), whereas 2D TTE RVol showed a modest correlation and large limits of agreement with VE-MRI (r = 0.70 and -22.2 to 32.8 ml/beat, respectively). Eccentric jets were noted in 16 patients (50%). In these patients, 3D TTE demonstrated an excellent correlation (r = 0.95) with VE-MRI, a small bias (0.1 ml/beat) and narrow limits of agreement (-18.7 to 18.8 ml/beat). Finally, the kappa agreement between 3D TTE and VE-MRI for grading of AR severity was good (k = 0.96), whereas the kappa agreement between 2D TTE and VE-MRI was suboptimal (k = 0.53). In conclusion, AR RVol quantification using 3D TTE is accurate, and its advantage over 2D TTE is particularly evident in patients with eccentric jets.

  19. Polarizable empirical force field for acyclic polyalcohols based on the classical Drude oscillator.

    PubMed

    He, Xibing; Lopes, Pedro E M; Mackerell, Alexander D

    2013-10-01

    A polarizable empirical force field for acyclic polyalcohols based on the classical Drude oscillator is presented. The model is optimized with an emphasis on the transferability of the developed parameters among molecules of different sizes in this series and on the condensed-phase properties validated against experimental data. The importance of the explicit treatment of electronic polarizability in empirical force fields is demonstrated in the cases of this series of molecules with vicinal hydroxyl groups that can form cooperative intra- and intermolecular hydrogen bonds. Compared to the CHARMM additive force field, improved treatment of the electrostatic interactions avoids overestimation of the gas-phase dipole moments resulting in significant improvement in the treatment of the conformational energies and leads to the correct balance of intra- and intermolecular hydrogen bonding of glycerol as evidenced by calculated heat of vaporization being in excellent agreement with experiment. Computed condensed phase data, including crystal lattice parameters and volumes and densities of aqueous solutions are in better agreement with experimental data as compared to the corresponding additive model. Such improvements are anticipated to significantly improve the treatment of polymers in general, including biological macromolecules.

  20. Flotation properties of some oxygen-containing compounds of the acyclic series

    SciTech Connect

    Shreider, E.M.; Para, S.F.; Galanov, M.E.; Trachik, T.L.; Lagutina, L.V.

    1981-01-01

    In the monatomic alcohols series, maximum flotation activity is reached at 6 to 8 carbon atoms in the radical. It was decided to investigate the reagent properties of some other substances containing hydroxyl radicals which have not previously been considered. Oxygen-containing compounds in the acyclic series were examined, including alcohols: I - ethanol, ethylene-glycol, glycerol, pentaerythrytol, D-mannitol; II - dulcitol, D-sorbitol, D-mannitol, xylitol; glycols - monoethyleneglycol, diethyleneglycol, triethyleneglycol, polyethyleneglycol; and ethanolamines - ethanolamine, triethanolamine. The flotation properties of the reagents were determined in a Mekhanobr laboratory flotation machine with a chamber volume of 1.5 liter and an impeller speed of 1800 rpm. The materials tested were the <1 mm size fractions from run-of-plant charge and slurry from the radial thickeners. The samples were first dried and averaged. The pulp density was 200 g/l. The reagent conditions were kept constant throughout (50% of the total added at the start of a test, 25% after 2 min and 25% after 4 min from the start). The reagent additions were 1.0 to 1.4 kg/ton. All of these compounds had a very weak flotation activity.

  1. Amino acids of the Murchison meteorite. I - Six carbon acyclic primary alpha-amino alkanoic acids

    NASA Technical Reports Server (NTRS)

    Cronin, J. R.; Gandy, W. E.; Pizzarello, S.

    1981-01-01

    Six of the seven chain isomers of six-carbon acyclic primary alpha-amino alkanoic acids (leucine isomers) have been either identified or confirmed in hot-water extracts of the Murchison meteorite using combined gas chromatography-mass spectrometry (GC-MS) and ion exchange chromatography. 2-Amino-2-ethylbutyric acid, 2-amino-2,3-dimethylbutyric acid, pseudoleucine, and 2-methylnorvaline were positively identified by GC-MS. These amino acids have not been previously reported to occur in natural materials and may be uniquely meteoritic in origin. The presence of leucine and isoleucine (including the diastereoisomer, alloisoleucine) was confirmed. Peaks corresponding to norleucine were seen by ion-exchange and gas chromatography but characteristic mass spectra were not obtained. The alpha-branched chain isomers in this series are quantitatively the most significant. These results are compared with literature data on amino acid synthesis by electrical discharge and Fischer-Tropsch-type catalysis. Neither model system produces an amino acid suite that is completely comparable to that found in the Murchison meteorite.

  2. Amino acids of the Murchison meteorite. III - Seven carbon acyclic primary alpha-amino alkanoic acids

    NASA Technical Reports Server (NTRS)

    Cronin, John R.; Pizzarello, Sandra

    1986-01-01

    All of the eighteen possible seven-carbon acyclic primary alpha-amino alkanoic acids have been positively identified in a hot-water extract of the Murchison meteorite by the combined use of gas chromatography-mass spectrometry, ion exchange chromatography and reversed-phase chromatography. None of these amino acids has previously been found in meteorites or in any other natural material. They range in concentration from less than or equal to 0.5 to 5.3 nmol/g. Configuration assignments were made for 2-amino-3,4-dimethylpentanoic acid and allo-2-amino-3,4-dimethylpentanoic acid and the diasteromer ratio was determined. Fifty-five amino acids have now been positively identified in the Murchison meteorite, 36 of which are unknown in terrestrial materials. This unique suite of amino acids is characterized by the occurrence of all structural isomers within the two major classes of amino acids represented, by the predominance of branched chain isomers, and by an exponential decline in amount with increasing carbon chain length within homologous series. These characteristics of the Murchison amino acids are suggestive of synthesis before incorporation into a parent body.

  3. Solution-phase parallel synthesis of acyclic nucleoside libraries of purine, pyrimidine, and triazole acetamides.

    PubMed

    Pathak, Ashish K; Pathak, Vibha; Reynolds, Robert C

    2014-09-08

    Molecular diversity plays a pivotal role in modern drug discovery against phenotypic or enzyme-based targets using high throughput screening technology. Under the auspices of the Pilot Scale Library Program of the NIH Roadmap Initiative, we produced and report herein a diverse library of 181 purine, pyrimidine, and 1,2,4-triazole-N-acetamide analogues which were prepared in a parallel high throughput solution-phase reaction format. A set of assorted amines were reacted with several nucleic acid N-acetic acids utilizing HATU as the coupling reagent to produce diverse acyclic nucleoside N-acetamide analogues. These reactions were performed using 24 well reaction blocks and an automatic reagent-dispensing platform under inert atmosphere. The targeted compounds were purified on an automated purification system using solid sample loading prepacked cartridges and prepacked silica gel columns. All compounds were characterized by NMR and HRMS, and were analyzed for purity by HPLC before submission to the Molecular Libraries Small Molecule Repository (MLSMR) at NIH. Initial screening through the Molecular Libraries Probe Production Centers Network (MLPCN) program, indicates that several analogues showed diverse and interesting biological activities.

  4. Executive Summary of Ares V: Lunar Capabilities Concept Review Through Phase A-Cycle 3

    NASA Technical Reports Server (NTRS)

    Holladay, J. B.; Baggett, K. E.; Feldman, S. M.

    2011-01-01

    This Technical Memorandum (TM) was generated as an overall Ares V summary from the Lunar Capabilities Concept Review (LCCR) through Phase A-Cycle 3 (PA-C3) with the intent that it may be coupled with separately published appendices for a more detailed, integrated narrative. The Ares V has evolved from the initial point of departure (POD) 51.00.48 LCCR configuration to the current candidate POD, PA-C3D, and the family of vehicles concept that contains vehicles PA-C3A through H. The logical progression from concept to POD vehicles is summarized in this TM and captures the trade space and performance of each. The family-of-vehicles concept was assessed during PA-C3 and offered flexibility in the path forward with the ability to add options deemed appropriate. A description of each trade space is given in addition to a summary of each Ares V element. The Ares V contributions to a Mars campaign are also highlighted with the goal of introducing Ares V capabilities within the trade space. The assessment of the Ares V vehicle as it pertains to Mars missions remained locked to the architecture presented in Mars Design Reference Authorization 5.0 using the PA-C3D vehicle configuration to assess Mars transfer vehicle options, in-space EDS capabilities, docking adaptor and propellant transfer assessments, and lunar and Mars synergistic potential.

  5. Three-dimensional construction and omni-directional rolling analysis of a novel frame-like lattice modular robot

    NASA Astrophysics Data System (ADS)

    Ding, Wan; Wu, Jianxu; Yao, Yan'an

    2015-07-01

    Lattice modular robots possess diversity actuation methods, such as electric telescopic rod, gear rack, magnet, robot arm, etc. The researches on lattice modular robots mainly focus on their hardware descriptions and reconfiguration algorithms. Meanwhile, their design architectures and actuation methods perform slow telescopic and moving speeds, relative low actuation force verse weight ratio, and without internal space to carry objects. To improve the mechanical performance and reveal the locomotion and reconfiguration binary essences of the lattice modular robots, a novel cube-shaped, frame-like, pneumatic-based reconfigurable robot module called pneumatic expandable cube(PE-Cube) is proposed. The three-dimensional(3D) expanding construction and omni-directional rolling analysis of the constructed robots are the main focuses. The PE-Cube with three degrees of freedom(DoFs) is assembled by replacing the twelve edges of a cube with pneumatic cylinders. The proposed symmetric construction condition makes the constructed robots possess the same properties in each supporting state, and a binary control strategy cooperated with binary actuator(pneumatic cylinder) is directly adopted to control the PE-Cube. Taking an eight PE-Cube modules' construction as example, its dynamic rolling simulation, static rolling condition, and turning gait are illustrated and discussed. To testify telescopic synchronization, respond speed, locomotion feasibility, and repeatability and reliability of hardware system, an experimental pneumatic-based robotic system is built and the rolling and turning experiments of the eight PE-Cube modules' construction are carried out. As an extension, the locomotion feasibility of a thirty-two PE-Cube modules' construction is analyzed and proved, including dynamic rolling simulation, static rolling condition, and dynamic analysis in free tipping process. The proposed PE-Cube module, construction method, and locomotion analysis enrich the family of the

  6. Quantitative Three-Dimensional Characterization of Block Copolymer Directed Self-Assembly on Combined Chemical and Topographical Prepatterned Templates.

    PubMed

    Segal-Peretz, Tamar; Ren, Jiaxing; Xiong, Shisheng; Khaira, Gurdaman; Bowen, Alec; Ocola, Leonidas E; Divan, Ralu; Doxastakis, Manolis; Ferrier, Nicola J; de Pablo, Juan; Nealey, Paul F

    2017-02-28

    Characterization of the three-dimensional (3D) structure in directed self-assembly (DSA) of block copolymers is crucial for understanding the complex relationships between the guiding template and the resulting polymer structure so DSA could be successfully implemented for advanced lithography applications. Here, we combined scanning transmission electron microscopy (STEM) tomography and coarse-grain simulations to probe the 3D structure of P2VP-b-PS-b-P2VP assembled on prepatterned templates using solvent vapor annealing. The templates consisted of nonpreferential background and raised guiding stripes that had PS-preferential top surfaces and P2VP-preferential sidewalls. The full 3D characterization allowed us to quantify the shape of the polymer domains and the interface between domains as a function of depth in the film and template geometry and offered important insights that were not accessible with 2D metrology. Sidewall guiding was advantageous in promoting the alignment and lowering the roughness of the P2VP domains over the sidewalls, but incommensurate confinement from the increased topography could cause roughness and intermittent dislocations in domains over the background region at the bottom of the film. The 3D characterization of bridge structures between domains over the background and breaks within domains on guiding lines sheds light on possible origins of common DSA defects. The positional fluctuations of the PS/P2VP interface between domains showed a depth-dependent behavior, with high levels of fluctuations near both the free surface of the film and the substrate and lower fluctuation levels in the middle of the film. This research demonstrates how 3D characterization offers a better understanding of DSA processes, leading to better design and fabrication of directing templates.

  7. Modelling the two-dimensional flow between an estuary and lake connected by a bi-directional hydraulic structure

    NASA Astrophysics Data System (ADS)

    Zigic, Sasha; King, Brian; Lemckert, Charles

    2005-04-01

    A method to model the influence of a hydraulic structure connecting two water bodies is presented. This method was incorporated into an existing two-dimensional (depth-averaged) hydrodynamic model. Specifically, the flow in and out of a cell (used to represent the hydraulic structure) is calculated using a broad crested weir formula and is determined from the time-varying head difference between the two systems. An example application of the method is also presented. In this example the hydraulic structure cell was used to model the flow through an automated bi-directional hydraulic structure connecting an estuary to an artificial lake system. The gates of this hydraulic structure are programmed to open four times each day (once during each semi-diurnal tidal phase) and remain open for a period of 2 hours, allowing alternative and partial exchange between the two water bodies. Hence, the model setup involved the specification of the opening and closing times of the gates and the calibration of the discharge coefficient. Tests indicated that these were the most sensitive parameters which ensured the correct volume of water exchange between the two systems. Finally, the model-predicted results were compared with available surface elevation observations at two sites within the lake. The comparison showed a good agreement (RMS error <0.09), quantifying the ability of the hydraulic structure cells to simulate the flux between the estuary and lake for each opening.

  8. Low-dimensional transport and large thermoelectric power factors in bulk semiconductors by band engineering of highly directional electronic states.

    PubMed

    Bilc, Daniel I; Hautier, Geoffroy; Waroquiers, David; Rignanese, Gian-Marco; Ghosez, Philippe

    2015-04-03

    Thermoelectrics are promising for addressing energy issues but their exploitation is still hampered by low efficiencies. So far, much improvement has been achieved by reducing the thermal conductivity but less by maximizing the power factor. The latter imposes apparently conflicting requirements on the band structure: a narrow energy distribution and a low effective mass. Quantum confinement in nanostructures and the introduction of resonant states were suggested as possible solutions to this paradox, but with limited success. Here, we propose an original approach to fulfill both requirements in bulk semiconductors. It exploits the highly directional character of some orbitals to engineer the band structure and produce a type of low-dimensional transport similar to that targeted in nanostructures, while retaining isotropic properties. Using first-principle calculations, the theoretical concept is demonstrated in Fe2YZ Heusler compounds, yielding power factors 4 to 5 times larger than in classical thermoelectrics at room temperature. Our findings are totally generic and rationalize the search of alternative compounds with similar behavior. Beyond thermoelectricity, these might be relevant also in the context of electronic, superconducting, or photovoltaic applications.

  9. Accessing Three-Dimensional Crystals with Incorporated Guests through Metal-Directed Coiled-Coil Peptide Assembly.

    PubMed

    Nepal, Manish; Sheedlo, Michael J; Das, Chittaranjan; Chmielewski, Jean

    2016-08-31

    Obtaining three-dimensional (3D) protein and peptide crystals on demand requires a precisely orchestrated hierarchical assembly of biopolymer building blocks. In this work, we disclose a metal-ion-mediated strategy to assemble trimeric coiled-coil peptides in a head-to-tail fashion into linear strands with interstrand interactions. This design led to hexagonal 3D peptide crystal formation within 30 min in the presence of divalent metal ions. The crystal morphology could be controlled by varying the metal ion/peptide ratio, resulting in hexagonal discs to rods. Diffraction studies elucidated the head-to-tail arrangement of the coiled-coil linear strands and their hexagonal, antiparallel packing within the crystal. Unsatisfied ligands at the hexagonal ends of the crystals were harnessed as a powerful means to direct His-tagged fluorophores to distinct locations within the crystals. Overall, the designed hierarchical assembly provides a facile means to obtain 3D peptide crystals and incorporate His-tag-based cargoes and may have potential use in drug delivery and sensor design.

  10. Characteristics and generation of elastic turbulence in a three-dimensional parallel plate channel using direct numerical simulation

    NASA Astrophysics Data System (ADS)

    Zhang, Hong-Na; Li, Feng-Chen; Li, Xiao-Bin; Li, Dong-Yang; Cai, Wei-Hua; Yu, Bo

    2016-09-01

    Direct numerical simulations (DNSs) of purely elastic turbulence in rectilinear shear flows in a three-dimensional (3D) parallel plate channel were carried out, by which numerical databases were established. Based on the numerical databases, the present paper analyzed the structural and statistical characteristics of the elastic turbulence including flow patterns, the wall effect on the turbulent kinetic energy spectrum, and the local relationship between the flow motion and the microstructures’ behavior. Moreover, to address the underlying physical mechanism of elastic turbulence, its generation was presented in terms of the global energy budget. The results showed that the flow structures in elastic turbulence were 3D with spatial scales on the order of the geometrical characteristic length, and vortex tubes were more likely to be embedded in the regions where the polymers were strongly stretched. In addition, the patterns of microstructures’ elongation behave like a filament. From the results of the turbulent kinetic energy budget, it was found that the continuous energy releasing from the polymers into the main flow was the main source of the generation and maintenance of the elastic turbulent status. Project supported by the National Natural Science Foundation of China (Grant Nos. 51276046 and 51506037), the Foundation for Innovative Research Groups of the National Natural Science Foundation of China (Grant No. 51421063), the China Postdoctoral Science Foundation (Grant No. 2016M591526), the Heilongjiang Postdoctoral Fund, China (Grant No. LBH-Z15063), and the China Postdoctoral International Exchange Program.

  11. Comprehensive one-dimensional, semi-analytical, mathematical model for liquid-feed polymer electrolyte membrane direct methanol fuel cells

    NASA Astrophysics Data System (ADS)

    Kareemulla, D.; Jayanti, S.

    Polymer electrolyte membrane direct methanol fuel cells (PEM-DMFCs) have several advantages over hydrogen-fuelled PEM fuel cells; but sluggish methanol electrochemical oxidation and methanol crossover from the anode to the cathode through the PEM are two major problems with these cells. In the present work, a comprehensive one-dimensional, single phase, isothermal mathematical model is developed for a liquid-feed PEM-DMFC, taking into account all the necessary mass transport and electrochemical phenomena. Diffusion and convective effects are considered for methanol transport on the anode side and in the PEM, whereas only diffusional transport of species is considered on the cathode side. A multi-step reaction mechanism is used to describe the electrochemical oxidation of methanol at the anode. Stefan-Maxwell equations are used to describe multi-component diffusion on the cathode side and Tafel type of kinetics is used to describe the simultaneous methanol oxidation and oxygen reduction reactions at the cathode. The model fully accounts for the mixed potential effect caused by methanol crossover at the cathode. It shows excellent agreement with literature data of the limiting current density for different low methanol feed concentrations at different operating temperatures. At high methanol feed concentrations, oxygen depletion on the cathode side, due to excessive methanol crossover, results in mass-transport limitations. The model can be used to optimize the geometric and physical parameters with a view to extracting the highest current density while still keeping a tolerably low methanol crossover.

  12. Bearing Abilities and Progressive Damage Analysis of Three Dimensional Four-Directional Braided Composites with Cut-Edge

    NASA Astrophysics Data System (ADS)

    Lei, Bing; Liu, Zhenguo; Ya, Jixuan; Wang, Yibo; Li, Xiaokang

    2016-08-01

    Cut-edge is a kind of damage for the three-dimensional four-directional (3D4d) braided composites which is inevitable because of machining to meet requisite shape and working in the abominable environment. The longitudinal tensile experiment of the 3D4d braided composites with different braiding angles between cut-edge and the ones without cut-edge was conducted. Then representative volume cell (RVC) with interface zones was established to analyze the tensile properties through the fracture and damage mechanics. The periodic boundary conditions under the cut-edge and uncut-edge conditions were imposed to simulate the failure mechanism. Stress-strain distribution and the damage evolution nephogram in cut-edge condition were conducted. Numerical results were coincident with the experimental results. Finally the variation of cut-edge effect with the specimen thickness was simulated by superimposing inner cells. The consequence showed that thickness increase can effectively reduce cut-edge influence on longitudinal strength for 3D4d braided composites. Cut-edge simulation of braided composites has guiding significance on the actual engineering application.

  13. Nanoscale surface chemistry directs the tunable assembly of silver octahedra into three two-dimensional plasmonic superlattices

    PubMed Central

    Lee, Yih Hong; Shi, Wenxiong; Lee, Hiang Kwee; Jiang, Ruibin; Phang, In Yee; Cui, Yan; Isa, Lucio; Yang, Yijie; Wang, Jianfang; Li, Shuzhou; Ling, Xing Yi

    2015-01-01

    A major challenge in nanoparticle self-assembly is programming the large-area organization of a single type of anisotropic nanoparticle into distinct superlattices with tunable packing efficiencies. Here we utilize nanoscale surface chemistry to direct the self-assembly of silver octahedra into three distinct two-dimensional plasmonic superlattices at a liquid/liquid interface. Systematically tuning the surface wettability of silver octahedra leads to a continuous superlattice structural evolution, from close-packed to progressively open structures. Notably, silver octahedra standing on vertices arranged in a square lattice is observed using hydrophobic particles. Simulations reveal that this structural evolution arises from competing interfacial forces between the particles and both liquid phases. Structure-to-function characterizations reveal that the standing octahedra array generates plasmonic ‘hotstrips', leading to nearly 10-fold more efficient surface-enhanced Raman scattering compared with the other more densely packed configurations. The ability to assemble these superlattices on the wafer scale over various platforms further widens their potential applications. PMID:25923409

  14. Integrating Remote Sensing Data with Directional Two- Dimensional Wavelet Analysis and Open Geospatial Techniques for Efficient Disaster Monitoring and Management.

    PubMed

    Lin, Yun-Bin; Lin, Yu-Pin; Deng, Dong-Po; Chen, Kuan-Wei

    2008-02-19

    In Taiwan, earthquakes have long been recognized as a major cause oflandslides that are wide spread by floods brought by typhoons followed. Distinguishingbetween landslide spatial patterns in different disturbance regimes is fundamental fordisaster monitoring, management, and land-cover restoration. To circumscribe landslides,this study adopts the normalized difference vegetation index (NDVI), which can bedetermined by simply applying mathematical operations of near-infrared and visible-redspectral data immediately after remotely sensed data is acquired. In real-time disastermonitoring, the NDVI is more effective than using land-cover classifications generatedfrom remotely sensed data as land-cover classification tasks are extremely time consuming.Directional two-dimensional (2D) wavelet analysis has an advantage over traditionalspectrum analysis in that it determines localized variations along a specific direction whenidentifying dominant modes of change, and where those modes are located in multi-temporal remotely sensed images. Open geospatial techniques comprise a series ofsolutions developed based on Open Geospatial Consortium specifications that can beapplied to encode data for interoperability and develop an open geospatial service for sharing data. This study presents a novel approach and framework that uses directional 2Dwavelet analysis of real-time NDVI images to effectively identify landslide patterns andshare resulting patterns via open geospatial techniques. As a case study, this study analyzedNDVI images derived from SPOT HRV images before and after the ChiChi earthquake(7.3 on the Richter scale) that hit the Chenyulan basin in Taiwan, as well as images aftertwo large typhoons (Xangsane and Toraji) to delineate the spatial patterns of landslidescaused by major disturbances. Disturbed spatial patterns of landslides that followed theseevents were successfully delineated using 2D wavelet analysis, and results of patternrecognitions of landslides were

  15. Macro- and micro-designed chitosan-alginate scaffold architecture by three-dimensional printing and directional freezing.

    PubMed

    Reed, Stephanie; Lau, Grace; Delattre, Benjamin; Lopez, David Don; Tomsia, Antoni P; Wu, Benjamin M

    2016-01-07

    While many tissue-engineered constructs aim to treat cartilage defects, most involve chondrocyte or stem cell seeding on scaffolds. The clinical application of cell-based techniques is limited due to the cost of maintaining cellular constructs on the shelf, potential immune response to allogeneic cell lines, and autologous chondrocyte sources requiring biopsy from already diseased or injured, scarce tissue. An acellular scaffold that can induce endogenous influx and homogeneous distribution of native stem cells from bone marrow holds great promise for cartilage regeneration. This study aims to develop such an acellular scaffold using designed, channeled architecture that simultaneously models the native zones of articular cartilage and subchondral bone. Highly porous, hydrophilic chitosan-alginate (Ch-Al) scaffolds were fabricated in three-dimensionally printed (3DP) molds designed to create millimeter scale macro-channels. Different polymer preform casting techniques were employed to produce scaffolds from both negative and positive 3DP molds. Macro-channeled scaffolds improved cell suspension distribution and uptake overly randomly porous scaffolds, with a wicking volumetric flow rate of 445.6 ± 30.3 mm(3) s(-1) for aqueous solutions and 177 ± 16 mm(3) s(-1) for blood. Additionally, directional freezing was applied to Ch-Al scaffolds, resulting in lamellar pores measuring 300 μm and 50 μm on the long and short axes, thus creating micrometer scale micro-channels. After directionally freezing Ch-Al solution cast in 3DP molds, the combined macro- and micro-channeled scaffold architecture enhanced cell suspension uptake beyond either macro- or micro-channels alone, reaching a volumetric flow rate of 1782.1 ± 48 mm(3) s(-1) for aqueous solutions and 440.9 ± 0.5 mm(3) s(-1) for blood. By combining 3DP and directional freezing, we can control the micro- and macro-architecture of Ch-Al to drastically improve cell influx into and distribution within the scaffold

  16. Toward three-dimensional microelectronic systems: directed self-assembly of silicon microcubes via DNA surface functionalization.

    PubMed

    Lämmerhardt, Nico; Merzsch, Stephan; Ledig, Johannes; Bora, Achyut; Waag, Andreas; Tornow, Marc; Mischnick, Petra

    2013-07-02

    The huge and intelligent processing power of three-dimensional (3D) biological "processors" like the human brain with clock speeds of only 0.1 kHz is an extremely fascinating property, which is based on a massively parallel interconnect strategy. Artificial silicon microprocessors are 7 orders of magnitude faster. Nevertheless, they do not show any indication of intelligent processing power, mostly due to their very limited interconnectivity. Massively parallel interconnectivity can only be realized in three dimensions. Three-dimensional artificial processors would therefore be at the root of fabricating artificially intelligent systems. A first step in this direction would be the self-assembly of silicon based building blocks into 3D structures. We report on the self-assembly of such building blocks by molecular recognition, and on the electrical characterization of the formed assemblies. First, planar silicon substrates were functionalized with self-assembling monolayers of 3-aminopropyltrimethoxysilane for coupling of oligonucleotides (single stranded DNA) with glutaric aldehyde. The oligonucleotide immobilization was confirmed and quantified by hybridization with fluorescence-labeled complementary oligonucleotides. After the individual processing steps, the samples were analyzed by contact angle measurements, ellipsometry, atomic force microscopy, and fluorescence microscopy. Patterned DNA-functionalized layers were fabricated by microcontact printing (μCP) and photolithography. Silicon microcubes of 3 μm edge length as model objects for first 3D self-assembly experiments were fabricated out of silicon-on-insulator (SOI) wafers by a combination of reactive ion etching (RIE) and selective wet etching. The microcubes were then surface-functionalized using the same protocol as on planar substrates, and their self-assembly was demonstrated both on patterned silicon surfaces (88% correctly placed cubes), and to cube aggregates by complementary DNA

  17. A direct in vivo measurement of the three-dimensional orientation of the occlusal plane and of the sagittal discrepancy of the jaws.

    PubMed

    Ferrario, Virgilio F.; Sforza, Chiarella; Serrao, Graziano; Ciusa, Veronica

    2000-02-01

    The aim of the present investigation was to three dimensionally assess craniofacial relationships in vivo. Specifically, by using a non-invasive direct technique, the following measurements were made: 1) natural head position relative to the ground; 2) orientation of the occlusal plane relative to the subject's intrinsic facial planes; and 3) anteroposterior discrepancy of the dental bases, taking into consideration all the facial hard- and soft-tissue structures. Several dental and soft-tissue facial landmarks were directly digitized from 24 adult healthy volunteers with Angle Class I occlusions by means of an electromagnetic three-dimensional computerized digitizer. In natural head position, the three-dimensional orientation of Camper's, occlusal, and mandibular planes were measured along with the anteroposterior maxillo-mandibular discrepancies. In the frontal plane projection, all the measured planes appeared about horizontal. In the lateral plane projection, on average, Camper's plane deviated from the true horizontal by approximately 18 degrees (in a 'head flexed' direction). The occlusal plane deviated from the same horizontal by about 14 degrees, while the mandibular plane had a steeper inclination (about 30 degrees ); both planes were significantly correlated to Camper's plane. The measurements of anteroposterior jaw discrepancy revealed a wide range of sagittal relationships in the analyzed subjects. The method was found to be repeatable and fast. This direct three-dimensional in vivo assessment of the orientation of occlusal plane relative to the other facial planes could allow for a more comprehensive analysis of maxillo-mandibular sagittal discrepancies.

  18. Facial Sketch Synthesis Using Two-dimensional Direct Combined Model-based Face-Specific Markov Network.

    PubMed

    Tu, Ching-Ting; Chan, Yu-Hsien; Chen, Yi-Chung

    2016-05-20

    A facial sketch synthesis system is proposed featuring a two-dimensional direct combined model (2DDCM)-based facespecific Markov network. In contrast to existing facial sketch synthesis systems, the proposed scheme aims to synthesize sketches which reproduce the unique drawing style of a particular artist, where this drawing style is learned from a dataset consisting of a large number of image/sketch pairwise training samples. The synthesis system comprises three modules, namely a global module, a local module, and an enhancement module. The global module applies a 2DDCM approach to synthesize the global facial geometry and texture of the input image. The detailed texture is then added to the synthesized sketch in a local patch-based manner using a parametric 2DDCM model and a non-parametric Markov random field (MRF) network. Notably, the MRF approach gives the synthesized results an appearance more consistent with the drawing style of the training samples, while the 2DDCM approach enables the synthesis of outcomes with a more derivative style. As a result, the similarity between the synthesized sketches and the input images is greatly improved. Finally, a post-processing operation is performed to enhance the shadowed regions of the synthesized image by adding strong lines or curves to emphasize the lighting conditions. The experimental results confirm that the synthesized facial images are in good qualitative and quantitative agreement with the input images as well as the ground-truth sketches provided by the same artist. The representing power of the proposed framework is demonstrated by synthesizing facial sketches from input images with a wide variety of facial poses, lighting conditions, and races even when such images are not included in the training dataset. Moreover, the practical applicability of the proposed framework is demonstrated by means of automatic facial recognition tests.

  19. Four-dimensional intensity-modulated radiation therapy planning for dynamic tracking using a direct aperture deformation (DAD) method

    SciTech Connect

    Gui Minzhi; Feng Yuanming; Yi Byongyong; Dhople, Anil Arvind; Yu, Cedric

    2010-05-15

    Purpose: Planning for the delivery of intensity-modulated radiation therapy (IMRT) to a moving target, referred to as four-dimensional (4D) IMRT planning, is a crucial step for achieving the treatment objectives for sites that move during treatment delivery. The authors proposed a simplistic method that accounts for both rigid and nonrigid respiration-induced target motion based on 4D computed tomography (4DCT) data sets. Methods: A set of MLC apertures and weights was first optimized on a reference phase of a 4DCT data set. At each beam angle, the apertures were morphed from the reference phase to each of the remaining phases according to the relative shape changes in the beam's eye view of the target. Three different planning schemes were evaluated for two lung cases and one pancreas patient: (1) Individually optimizing each breathing phase; (2) optimizing the reference phase and shifting the optimized apertures to other breathing phases based on a rigid-body image registration; and (3) optimizing the reference phase and deforming the optimized apertures to the other phases based on the deformation and translation of target contours. Planning results using scheme 1 serves as the ''gold standard'' for plan quality assessment; scheme 2 is the method previously proposed in the literature; and scheme 3 is the method the authors proposed in this article. The optimization results were compared between the three schemes for all three cases. Results: The proposed scheme 3 is comparable to scheme 1 in plan quality, and provides improved target coverage and conformity with similar normal tissue dose compared with scheme 2. Conclusions: Direct aperture deformation method for 4D IMRT planning improves upon methods that only consider rigid-body motion and achieves a plan quality close to that optimized for each of the phases.

  20. Static fluctuations of a thick one-dimensional interface in the 1+1 directed polymer formulation: numerical study.

    PubMed

    Agoritsas, Elisabeth; Lecomte, Vivien; Giamarchi, Thierry

    2013-06-01

    We study numerically the geometrical and free-energy fluctuations of a static one-dimensional (1D) interface with a short-range elasticity, submitted to a quenched random-bond Gaussian disorder of finite correlation length ξ>0 and at finite temperature T. Using the exact mapping from the static 1D interface to the 1+1 directed polymer (DP) growing in a continuous space, we focus our analysis on the disorder free energy of the DP end point, a quantity which is strictly zero in the absence of disorder and whose sample-to-sample fluctuations at a fixed growing time t inherit the statistical translation invariance of the microscopic disorder explored by the DP. Constructing a new numerical scheme for the integration of the Kardar-Parisi-Zhang evolution equation obeyed by the free energy, we address numerically the time and temperature dependence of the disorder free-energy fluctuations at fixed finite ξ. We examine, on one hand, the amplitude D[over ̃](t) and effective correlation length ξ[over ̃](t) of the free-energy fluctuations and, on the other hand, the imprint of the specific microscopic disorder correlator on the large-time shape of the free-energy two-point correlator. We observe numerically the crossover to a low-temperature regime below a finite characteristic temperature T(c)(ξ), as previously predicted by Gaussian variational method computations and scaling arguments and extensively investigated analytically in [Phys. Rev. E 87, 042406 (2013)]. Finally, we address numerically the time and temperature dependence of the roughness B(t), which quantifies the DP end point transverse fluctuations, and we show how the amplitude D[over ̃](∞)(T,ξ) controls the different regimes experienced by B(t)-in agreement with the analytical predictions of a DP toy model approach.

  1. Methoxymethyl (MOM) group nitrogen protection of pyrimidines bearing C-6 acyclic side-chains.

    PubMed

    Kraljević, Tatjana Gazivoda; Petrović, Martina; Krištafor, Svjetlana; Makuc, Damjan; Plavec, Janez; Ross, Tobias L; Ametamey, Simon M; Raić-Malić, Silvana

    2011-06-20

    Novel N-methoxymethylated (MOM) pyrimidine (4-13) and pyrimidine-2,4-diones (15-17) nucleoside mimetics in which an isobutyl side-chain is attached at the C-6 position of the pyrimidine moiety were synthesized. Synthetic methods via O-persilylated or N-anionic uracil derivatives have been evaluated for the synthesis of N-1- and/or N-3-MOM pyrimidine derivatives with C-6 acyclic side-chains. A synthetic approach using an activated N-anionic pyrimidine derivative afforded the desired N,N-1,3-diMOM and N-1-MOM pyrimidines 4 and 5 in good yield. Introduction of fluorine into the side-chain was performed with DAST as the fluorinating reagent to give a N,N-1,3-diMOM pyrimidine 13 with a 1-fluoro-3-hydroxyisobutyl moiety at C-6. Conformational study of the monotritylated N-1-MOM pyrimidine 12 by the use of the NOE experiments revealed the predominant conformation of the compound to be one where the hydroxymethyl group in the C-6 side-chain is close to the N-1-MOM moiety, while the OMTr is in proximity to the CH(3)-5 group. Contrary to this no NOE enhancements between the N-1-MOM group and hydroxymethyl or fluoromethyl protons in 13 were observed, which suggested a nonrestricted rotation along the C-6 side-chain. Fluorinated N,N-1,3-diMOM pyrimidine 13 emerged as a model compound for development of tracer molecules for non-invasive imaging of gene expression using positron emission tomography (PET).

  2. Time-domain measurement of terahertz frequency magnetoplasmon resonances in a two-dimensional electron system by the direct injection of picosecond pulsed currents

    NASA Astrophysics Data System (ADS)

    Wu, Jingbo; Sydoruk, Oleksiy; Mayorov, Alexander S.; Wood, Christopher D.; Mistry, Divyang; Li, Lianhe; Linfield, Edmund H.; Giles Davies, A.; Cunningham, John E.

    2016-02-01

    We have investigated terahertz (THz) frequency magnetoplasmon resonances in a two-dimensional electron system through the direct injection of picosecond duration current pulses. The evolution of the time-domain signals was measured as a function of magnetic field, and the results were found to be in agreement with calculations using a mode-matching approach for four modes observed in the frequency range above 0.1 THz. This introduces a generic technique suitable for sampling ultrafast carrier dynamics in low-dimensional semiconductor nanostructures at THz frequencies.

  3. Mesh generation for two-dimensional regions using the Tektronix DVST (direct view storage tube) graphics terminal

    NASA Technical Reports Server (NTRS)

    Gabrielson, V. K.

    1975-01-01

    The computer program DVMESH and the use of the Tektronix DVST graphics terminal were described for applications of preparing mesh data for use in various two-dimensional axisymmetric finite element stress analysis and heat transfer codes.

  4. A defocus-information-free autostereoscopic three-dimensional (3D) digital reconstruction method using direct extraction of disparity information (DEDI)

    NASA Astrophysics Data System (ADS)

    Li, Da; Cheung, Chifai; Zhao, Xing; Ren, Mingjun; Zhang, Juan; Zhou, Liqiu

    2016-10-01

    Autostereoscopy based three-dimensional (3D) digital reconstruction has been widely applied in the field of medical science, entertainment, design, industrial manufacture, precision measurement and many other areas. The 3D digital model of the target can be reconstructed based on the series of two-dimensional (2D) information acquired by the autostereoscopic system, which consists multiple lens and can provide information of the target from multiple angles. This paper presents a generalized and precise autostereoscopic three-dimensional (3D) digital reconstruction method based on Direct Extraction of Disparity Information (DEDI) which can be used to any transform autostereoscopic systems and provides accurate 3D reconstruction results through error elimination process based on statistical analysis. The feasibility of DEDI method has been successfully verified through a series of optical 3D digital reconstruction experiments on different autostereoscopic systems which is highly efficient to perform the direct full 3D digital model construction based on tomography-like operation upon every depth plane with the exclusion of the defocused information. With the absolute focused information processed by DEDI method, the 3D digital model of the target can be directly and precisely formed along the axial direction with the depth information.

  5. Acyclic phosphonate nucleotides and human adenylate kinases: impact of a borano group on alpha-P position.

    PubMed

    Topalis, D; Alvarez, K; Barral, K; Munier-Lehmann, H; Schneider, B; Véron, M; Guerreiro, C; Mulard, L; El-Amri, C; Canard, B; Deville-Bonne, D

    2008-04-01

    Adenylate kinases are involved in the activation of antiviral drugs such as the acyclic phosphonates analogs PMEA and (R)PMPA. We examine the in vitro phosphorylation of PMEA and PMPA bearing a borano- or a H- group on the phosphorus atom. The alpha-borano or alpha-H on PMEA and PMPA were detrimental to the activity of recombinant human AMP kinases 1 and 2. Docking PMEA to the active site of AMP kinase 1 indicated that the borano group may prevent two conserved critical Arg interactions with the alpha-phosphate, resulting in substrate bad positioning.

  6. Amino acids of the Murchison meteorite. II - Five carbon acyclic primary beta-, gamma-, and delta-amino alkanoic acids

    NASA Technical Reports Server (NTRS)

    Cronin, J. R.; Pizzarello, S.; Yuen, G. U.

    1985-01-01

    The five-carbon acyclic primary beta, gamma, and delta amino alkanoic acids of the Murchison meteorite are studied using gas chromatography-mass spectrometry and ion exchange chromatography. The chromatograms reveal that alpha is the most abundant monoamino alkanoic acid followed by gamma and beta, and an exponential increase in the amount of amino acid is observed as the carbon number increases in the homologous series. The influence of frictional heating, spontaneous thermal decomposition, and radiation of the synthesis of amino acids is examined. The data obtained support an amino acid synthesis process involving random combination of single-carbon precursors.

  7. Zirconocene-assisted remote cleavage of C-C and C-O bonds: application to acyclic stereodefined metalated hydrocarbons.

    PubMed

    Bruffaerts, J; Pierrot, D; Marek, I

    2016-11-08

    The molding of molecules through remote functionalisation has increasingly become popular as it provides original and flexible synthetic alternatives to classical retrosynthetic analysis. In this Perspective article, we summarise more than a decade of studies in the specific field of remote activation of inert C-C and C-O bonds using the unique abilities of organozirconocene species mainly from our own research group. By demonstrating that these reactions represent novel and powerful entries towards acyclic stereodefined reactive organometallic species, we aim to show the vast opportunities this concept-driven methodology discovery offers.

  8. Direct time integration of Maxwell's equations in two-dimensional dielectric waveguides for propagation and scattering of femtosecond electromagnetic solitons

    NASA Technical Reports Server (NTRS)

    Joseph, Rose M.; Goorjian, Peter M.; Taflove, Allen

    1993-01-01

    We present what are to our knowledge first-time calculations from vector nonlinear Maxwell's equations of femtosecond soliton propagation and scattering, including carrier waves, in two-dimensional dielectric waveguides. The time integration efficiently implements linear and nonlinear convolutions for the electric polarization, and the nonlinear convolution accounts for two quantum effects, the Kerr and Raman interactions. By retaining the optical carrier, the new method solves for fundamental quantities - optical electric and magnetic fields in space and time - rather than a nonphysical envelope function. It has the potential to provide an unprecedented two- and three-dimensional modeling capability for millimeter-scale integrated-optical circuits with submicrometer engineered inhomogeneities.

  9. Full-Scale Direct Numerical Simulation of Two- and Three-Dimensional Instabilities and Rivulet Formulation in Heated Falling Films

    NASA Technical Reports Server (NTRS)

    Krishnamoorthy, S.; Ramaswamy, B.; Joo, S. W.

    1995-01-01

    A thin film draining on an inclined plate has been studied numerically using finite element method. Three-dimensional governing equations of continuity, momentum and energy with a moving boundary are integrated in an arbitrary Lagrangian Eulerian frame of reference. Kinematic equation is solved to precisely update interface location. Rivulet formation based on instability mechanism has been simulated using full-scale computation. Comparisons with long-wave theory are made to validate the numerical scheme. Detailed analysis of two- and three-dimensional nonlinear wave formation and spontaneous rupture forming rivulets under the influence of combined thermocapillary and surface-wave instabilities is performed.

  10. Seven-coordinate iron and manganese complexes with acyclic and rigid pentadentate chelates and their superoxide dismutase activity.

    PubMed

    Liu, Gao-Feng; Filipović, Milos; Heinemann, Frank W; Ivanović-Burmazović, Ivana

    2007-10-15

    The reactions of seven-coordinate [Fe(III)(dapsox)(H(2)O)(2)]ClO(4).H(2)O (1), [Fe(II)(H(2)dapsox)(H(2)O)(2)](NO(3))(2).H(2)O (2), and [Mn(II)(H(2)dapsox)(CH(3)OH)(H(2)O)](ClO4)2(H2O) (3) complexes of the acyclic and rigid pentadentate H(2)dapsox ligand [H2dapsox = 2,6-diacetylpyridinebis(semioxamazide)] with superoxide have been studied spectrophotometrically, electrochemically, and by a submillisecond mixing UV/vis stopped-flow in dimethyl sulfoxide (DMSO). The same studies were performed on the seven-coordinate [Mn(II)(Me(2)[15]pyridinaneN(5))(H(2)O)(2)]Cl(2).H(2)O (4) complex with the flexible macrocyclic Me(2)[15]pyridinaneN(5) ligand (Me(2)[15]pyridinaneN(5) = trans-2,13-dimethyl-3,6,9,12,18-pentaazabicyclo[12.3.1]octadeca-1(18),14,16-triene), which belongs to the class of proven superoxide dismutase (SOD) mimetics. The X-ray crystal structures of 2-4 were determined. All complexes possess pentagonal-bipyramidal geometry with the pentadentate ligand in the equatorial plane and solvent molecules in the axial positions. The stopped-flow experiments in DMSO (0.06% of water) reveal that all four metal complexes catalyze the fast disproportionation of superoxide under the applied experimental conditions, and the catalytic rate constants are found to be (3.7 +/- 0.5) x 10(6), (3.9 +/- 0.5) x 10(6), (1.2 +/- 0.3) x 10(7), and (5.3 +/- 0.8) x 10(6) M(-1) s(-1) for 1-4, respectively. The cytochrome c McCord-Fridovich (McCF) assay in an aqueous solution at pH = 7.8 resulted in the IC(50) values (and corresponding kMcCF constants) for 3 and 4, 0.013 +/- 0.001 microM (1.9 +/- 0.2 x 10(8) M(-1) s(-1)) and 0.024 +/- 0.001 microM (1.1 +/- 0.3 x 10(8) M(-1) s(-1)), respectively. IC(50) values from a nitroblue tetrazolium assay are found to be 6.45 +/- 0.02 and 1.36 +/- 0.03 microM for 1 and 4, respectively. The data have been compared with those obtained by direct stopped-flow measurements and discussed in terms of the side reactions that occur under the conditions of

  11. GRASr2 evaluation of aliphatic acyclic and alicyclic terpenoid tertiary alcohols and structurally related substances used as flavoring ingredients.

    PubMed

    Marnett, Lawrence J; Cohen, Samuel M; Fukushima, Shoji; Gooderham, Nigel J; Hecht, Stephen S; Rietjens, Ivonne M C M; Smith, Robert L; Adams, Timothy B; Bastaki, Maria; Harman, Christie L; McGowen, Margaret M; Taylor, Sean V

    2014-04-01

    This publication is the 1st in a series of publications by the Expert Panel of the Flavor and Extract Manufacturers Assoc. summarizing the Panel's 3rd re-evaluation of Generally Recognized as Safe (GRAS) status referred to as the GRASr2 program. In 2011, the Panel initiated a comprehensive program to re-evaluate the safety of more than 2700 flavor ingredients that have previously met the criteria for GRAS status under conditions of intended use as flavor ingredients. Elements that are fundamental to the safety evaluation of flavor ingredients include exposure, structural analogy, metabolism, pharmacokinetics, and toxicology. Flavor ingredients are evaluated individually and in the context of the available scientific information on the group of structurally related substances. Scientific data relevant to the safety evaluation of the use of aliphatic acyclic and alicyclic terpenoid tertiary alcohols and structurally related substances as flavoring ingredients are evaluated. The group of aliphatic acyclic and alicyclic terpenoid tertiary alcohols and structurally related substances was reaffirmed as GRAS (GRASr2) based, in part, on their rapid absorption, metabolic detoxication, and excretion in humans and other animals; their low level of flavor use; the wide margins of safety between the conservative estimates of intake and the no-observed-adverse effect levels determined from subchronic studies and the lack of significant genotoxic and mutagenic potential.

  12. Estimation of Item Dimensional Measurement Direction Using Conditional Covariance Patterns. Computerized Testing Report. LSAC Research Report Series.

    ERIC Educational Resources Information Center

    Bolt, Daniel; Roussos, Louis; Stout, William

    Several nonparametric dimensionality assessment tools have demonstrated the usefulness of item pair conditional covariances as building blocks for investigating multidimensional test structure. Recently, J. Zhang and W. Stout (1999) have related the structural properties of conditional covariances in a generalized compensatory framework to a test…

  13. A fast iterative convolution weighting approach for gridding-based direct Fourier three-dimensional reconstruction with correction for the contrast transfer function.

    PubMed

    Abrishami, V; Bilbao-Castro, J R; Vargas, J; Marabini, R; Carazo, J M; Sorzano, C O S

    2015-10-01

    We describe a fast and accurate method for the reconstruction of macromolecular complexes from a set of projections. Direct Fourier inversion (in which the Fourier Slice Theorem plays a central role) is a solution for dealing with this inverse problem. Unfortunately, the set of projections provides a non-equidistantly sampled version of the macromolecule Fourier transform in the single particle field (and, therefore, a direct Fourier inversion) may not be an optimal solution. In this paper, we introduce a gridding-based direct Fourier method for the three-dimensional reconstruction approach that uses a weighting technique to compute a uniform sampled Fourier transform. Moreover, the contrast transfer function of the microscope, which is a limiting factor in pursuing a high resolution reconstruction, is corrected by the algorithm. Parallelization of this algorithm, both on threads and on multiple CPU's, makes the process of three-dimensional reconstruction even faster. The experimental results show that our proposed gridding-based direct Fourier reconstruction is slightly more accurate than similar existing methods and presents a lower computational complexity both in terms of time and memory, thereby allowing its use on larger volumes. The algorithm is fully implemented in the open-source Xmipp package and is downloadable from http://xmipp.cnb.csic.es.

  14. Encapsulation of Adipose Stromal Vascular Fraction Cells in Alginate Hydrogel Spheroids Using a Direct-Write Three-Dimensional Printing System

    PubMed Central

    Touroo, Jeremy S.; Church, Kenneth H.; Hoying, James B.

    2013-01-01

    Abstract The study of tissue function in vitro has been aided by the development of three-dimensional culture systems that more accurately duplicate the complex cell components of tissues and organs. Bioprinting of cells provides a rapid tissue fabrication technique that can be used to evaluate normal and pathologic conditions in vitro as well as to construct complex three-dimensional tissue structures for implantation in regenerative medicine therapies. Studies were performed using a direct write three-dimensional bioprinting system to fabricate adipose-derived stromal vascular fraction cell spheroids. Human fat–derived stromal vascular fraction cells were mixed in 1.5% (w/v) alginate solutions, and fabrication conditions were varied to produce an array of spheroids. The spheroids were placed in spinner culture, and spheroid integrity and encapsulated cell viability were assessed for 16 days. Results establish the ability to tightly control adipose SVF spheroids in the range of 800–1500 μm. Fabrication conditions were used to control spheroid size, and the results illustrate the ability to construct spheroids of precise size and shape. The adipose SVF cell population remains viable and the spheroid integrity was maintained for 16 days in suspension culture. The direct-write printing of adipose stromal vascular fraction cell containing spheroids provides a rapid fabrication technology to support in vitro microphysiologic system studies. PMID:24380055

  15. Direct Conversion of Equine Adipose-Derived Stem Cells into Induced Neuronal Cells Is Enhanced in Three-Dimensional Culture.

    PubMed

    Petersen, Gayle F; Hilbert, Bryan J; Trope, Gareth D; Kalle, Wouter H J; Strappe, Padraig M

    2015-12-01

    The ability to culture neurons from horses may allow further investigation into equine neurological disorders. In this study, we demonstrate the generation of induced neuronal cells from equine adipose-derived stem cells (EADSCs) using a combination of lentiviral vector expression of the neuronal transcription factors Brn2, Ascl1, Myt1l (BAM) and NeuroD1 and a defined chemical induction medium, with βIII-tubulin-positive induced neuronal cells displaying a distinct neuronal morphology of rounded and compact cell bodies, extensive neurite outgrowth, and branching of processes. Furthermore, we investigated the effects of dimensionality on neuronal transdifferentiation, comparing conventional two-dimensional (2D) monolayer culture against three-dimensional (3D) culture on a porous polystyrene scaffold. Neuronal transdifferentiation was enhanced in 3D culture, with evenly distributed cells located on the surface and throughout the scaffold. Transdifferentiation efficiency was increased in 3D culture, with an increase in mean percent conversion of more than 100% compared to 2D culture. Additionally, induced neuronal cells were shown to transit through a Nestin-positive precursor state, with MAP2 and Synapsin 2 expression significantly increased in 3D culture. These findings will help to increase our understanding of equine neuropathogenesis, with prospective roles in disease modeling, drug screening, and cellular replacement for treatment of equine neurological disorders.

  16. Mask-free construction of three-dimensional silicon structures by dry etching assisted gray-scale femtosecond laser direct writing

    NASA Astrophysics Data System (ADS)

    Liu, Xue-Qing; Yu, Lei; Chen, Qi-Dai; Sun, Hong-Bo

    2017-02-01

    A mask-free micro/nano fabrication method is proposed for constructing arbitrary gradient height structures on silicon, combining gray-scale femtosecond laser direct writing (GS-FsLDW) with subsequent dry etching. Arbitrary two-dimensional patterns with a gradient concentration of oxygen atoms can be fabricated on the surface of undoped silicon wafer by FsLDW in air. After dry etching, various three-dimensional (3D) gradient height silicon structures are fabricated by controlling the laser power, scanning step, etching time, and etching power. As an example, a well-defined 3D Fresnel zone plate was fabricated on silicon wafer, which shows excellent focusing and imaging properties. The combination of high precision from dry etching and 3D fabrication ability on non-planar substrates of FsLDW, may broaden its applications in microelectronics, micro-optics, and microelectromechanical systems.

  17. Recurrence of hyperprolactinemia and continuation of ovarian acyclicity in captive African elephants (Loxodonta africana) treated with cabergoline.

    PubMed

    Morfeld, Kari A; Ball, Ray L; Brown, Janine L

    2014-09-01

    Hyperprolactinemia is associated with reproductive acyclicity in zoo African elephants (Loxodonta africana) and may contribute to the non-self-sustainability of the captive population in North America. It is a common cause of infertility in women and other mammals and can be treated with the dopamine agonist cabergoline. The objectives of this study were to assess prolactin responses to cabergoline treatment in hyperprolactinemic, acyclic African elephants and to determine the subsequent impact on ovarian cyclic activity. Five elephants, diagnosed as hyperprolactinemic (>11 ng/ml prolactin) and acyclic (maintenance of baseline progestagens for at least 1 yr), were treated with 1-2 mg cabergoline orally twice weekly for 16-82 wk. Cabergoline reduced (P < 0.05) serum prolactin concentrations during the treatment period compared to pretreatment levels in four of five elephants (11.5 +/- 3.2 vs. 9.1 +/- 3.4 ng/ml; 20.3 +/- 16.7 vs. 7.9 +/- 9.8 ng/ml; 26.4 +/- 15.0 vs. 6.8 +/- 1.5 ng/ml; 42.2 +/- 22.6 vs. 18.6 +/- 8.9 ng/ml). However, none of the females resumed ovarian cyclicity based on serum progestagen analyses up to 1 yr posttreatment. In addition, within 1 to 6 wk after cessation of oral cabergoline, serum prolactin concentrations returned to concentrations that were as high as or higher than before treatment (P < 0.05). One elephant that exhibited the highest pretreatment prolactin concentration (75.2 +/- 10.5 ng/ml) did not respond to cabergoline and maintained elevated levels throughout the study. Thus, oral cabergoline administration reduced prolactin concentrations in elephants with hyperprolactinemia, but there was no resumption of ovarian cyclicity, and a significant prolactin rebound effect was observed. It is possible that higher doses or longer treatment intervals may be required for cabergoline treatment to result in permanent suppression of prolactin secretion and to mitigate associated ovarian cycle problems.

  18. Direct simulation of melting a cryogenic surface with a two-dimensional axisymmetric turbulent superheated vapor jet

    NASA Astrophysics Data System (ADS)

    Baran, Adam J.

    This dissertation presents original research into the melting process of a downward facing cryogenic solid hydrogen surface subject to a two dimensional axisymmetric jet impingement flow of superheated hydrogen vapor. The motivation for the study is to investigate concepts of storing rocket propellants as a solid and rapidly melting the solid for liquid propellant delivery to a rocket engine. The present study considers a more favorable liquid removal arrangement than prior (1970s) experiments which melted solid hydrogen at the bottom of a cryostat. This is a numerical study that involves computation fluid dynamic (CFD) simulation of four distinct physical phenomena: (1) melting, (2) jet impingement heat transfer (JIHT), (3) multiphase transport, and (4) film breakup/droplet formation. The volume of fluid (VOF) method is used with the V2F turbulence model in a commercial CFD Navier-Stokes solver (FLUENT) to investigate the multiphase nature of melt transport and its interaction with the vapor stream; i.e., the phenomena relevant to effective heat transfer between the vapor and the melting interface. The goal of the research is: (1) to develop a numerical method to study the problem and (2) evaluate several simple configurations to begin investigating relevant phenomena for the purpose of enhancing melting rate. Many options exist for the vapor to interact with the solid surface. The scope of this initial research is limited to a steady jet of single phase superheated hydrogen vapor at fixed jet exit conditions (T = 525 R and Re = 11,000) at a fixed jet standoff ( H/D = 1.0). Condensation/vaporization are not considered. Although film breakup/droplet formation is a phenomenon where two dimensional features evolve into three dimensional events, this phenomenon is approximated as two dimensional to allow a computationally tractable problem for this initial study. Calculations are performed validating the numerical method for melting and JIHT against known results

  19. The role of minerals in the thermal alteration of organic matter--IV. Generation of n-alkanes, acyclic isoprenoids, and alkenes in laboratory experiments.

    PubMed

    Huizinga, B J; Tannenbaum, E; Kaplan, I R

    1987-01-01

    A series of pyrolysis experiments, utilizing two different immature oil-prone kerogens ("type I": Green River Formation kerogen; "Type II": Monterey Formation kerogen) mixed with common sedimentary minerals (calcite, illite, or Na-montmorillonite), was conducted to study the effects of minerals on the generation of n-alkanes, acyclic isoprenoids, and alkenes during laboratory-simulated catagenesis of kerogen. The influence of clay minerals on the aliphatic hydrocarbons is critically dependent on the water concentration during laboratory thermal maturation. Under extremely low contents of water (i.e., dry pyrolysis, where only pyrolysate water is present), C12(+) -range n-alkanes and acyclic isoprenoids are mostly destroyed by montmorillonite but undergo only minor alteration with illite. Both clay minerals significantly reduce alkene formation during dry pyrolysis. Under hydrous conditions (mineral/water = 2:1), the effects of the clay minerals are substantially reduced. In addition, the dry pyrolysis experiments show that illite and montmorillonite preferentially retain large amounts of the polar constituents of bitumen, but not n-alkanes or acyclic isoprenoids. Therefore, bitumen fractionation according to polarity differences occurs in the presence of these clay minerals. By this process, n-alkanes and acyclic isoprenoids are concentrated in the bitumen fraction that is not strongly adsorbed on the clay matrices. The extent of these concentrations effects is greatly diminished during hydrous pyrolysis. In contrast, calcite has no significant influence on the thermal evolution of the hydrocarbons. In addition, calcite is incapable of retaining bitumen. Therefore, the fractionation of n-alkanes or acyclic isoprenoids relative to the polar constituents of bitumen is insignificant in the presence of calcite.

  20. Direct evidence for a three-dimensional magnetic flux rope flanked by two active magnetic reconnection X lines at Earth's magnetopause.

    PubMed

    Øieroset, M; Phan, T D; Eastwood, J P; Fujimoto, M; Daughton, W; Shay, M A; Angelopoulos, V; Mozer, F S; McFadden, J P; Larson, D E; Glassmeier, K-H

    2011-10-14

    We report the direct detection by three THEMIS spacecraft of a magnetic flux rope flanked by two active X lines producing colliding plasma jets near the center of the flux rope. The observed density depletion and open magnetic field topology inside the flux rope reveal important three-dimensional effects. There was also evidence for nonthermal electron energization within the flux rope core where the fluxes of 1-4 keV superthermal electrons were higher than those in the converging reconnection jets. The observed ion and electron energizations differ from current theoretical predictions.

  1. Enantioselective Lewis acid-catalyzed Mukaiyama-Michael reactions of acyclic enones. Catalysis by allo-threonine-derived oxazaborolidinones.

    PubMed

    Wang, Xiaowei; Adachi, Shinya; Iwai, Hiroyoshi; Takatsuki, Hiroshi; Fujita, Katsuhiro; Kubo, Mikako; Oku, Akira; Harada, Toshiro

    2003-12-26

    allo-Threonine-derived O-aroyl-B-phenyl-N-tosyl-1,3,2-oxazaborolidin-5-ones 1g,n catalyze the asymmetric Mukaiyama-Michael reaction of acyclic enones with a trimethylsilyl ketene S,O-acetal in high enantioselectivity. A range of alkenyl methyl ketones is successfully employed as Michael acceptors affording ee values of 85-90% by using 10 mol % of the catalyst. The use of 2,6-diisopropylphenol and tert-butyl methyl ether as additives is found to be essential to achieve high enantioselectivity in these reactions. The effects of the additives are discussed in terms of the retardation of an Si(+)-catalyzed racemic pathway, which seriously deteriorates the enantioselectivity of asymmetric Mukaiyama-Michael reactions. A working model for asymmetric induction is proposed based on correlation between catalyst structures and enantioselectivities.

  2. Identification and geochemical significance of cyclic di-and trisulphides with linear and acyclic isoprenoid carbon skeletons in immature sediments

    NASA Astrophysics Data System (ADS)

    Kohnen, Math E. L.; Sinninghe Damsté, Jaap S.; ten Haven, H. L.; Van Dalen, A. C. Kock; Schouten, Stefan; De Leeuw, Jan W.

    1991-12-01

    Homologous series (C 15-C 24) of novel 3- n-alkyl-1,2-dithianes and 3- n-alkyl-6-methyl-1,2-di-thianes have been identified in immature sediments. The identification of these compounds was based on comparison of mass spectra and Chromatographie data with those of synthesized 3-methyl-6-tridecyll, 2-dithiane. In addition, 4-methyl-3-(3,7,11-trimethyldodecyl)-1,2-dithiane, 4-(4,8,12-trimethyltridecyl)-1,2-dithiane, 5-methyl-4-(3,7,11-trimethyldodecyl)-1,2,3-trithiepane, and a 1,2-dithiane possessing a pentakishomohopane carbon skeleton were tentatively assigned on the basis of mass spectral characteristics, selective chemolysis, and desulphurisation. The occurrence of these cyclic di-and trisulphides with linear, acyclic isoprenoid and hopanoid carbon skeletons in thermally immature sediments indicates that inorganic polysulphides are incorporated into functionalised lipids during the early stages of diagenesis.

  3. Design, synthesis and evaluation of a series of acyclic fleximer nucleoside analogues with anti-coronavirus activity.

    PubMed

    Peters, Hannah L; Jochmans, Dirk; de Wilde, Adriaan H; Posthuma, Clara C; Snijder, Eric J; Neyts, Johan; Seley-Radtke, Katherine L

    2015-08-01

    A series of doubly flexible nucleoside analogues were designed based on the acyclic sugar scaffold of acyclovir and the flex-base moiety found in the fleximers. The target compounds were evaluated for their antiviral potential and found to inhibit several coronaviruses. Significantly, compound 2 displayed selective antiviral activity (CC50 >3× EC50) towards human coronavirus (HCoV)-NL63 and Middle East respiratory syndrome-coronavirus, but not severe acute respiratory syndrome-coronavirus. In the case of HCoV-NL63 the activity was highly promising with an EC50 <10 μM and a CC50 >100 μM. As such, these doubly flexible nucleoside analogues are viewed as a novel new class of drug candidates with potential for potent inhibition of coronaviruses.

  4. 3-dimensional magnetotelluric inversion including topography using deformed hexahedral edge finite elements and direct solvers parallelized on symmetric multiprocessor computers - Part II: direct data-space inverse solution

    NASA Astrophysics Data System (ADS)

    Kordy, M.; Wannamaker, P.; Maris, V.; Cherkaev, E.; Hill, G.

    2016-01-01

    Following the creation described in Part I of a deformable edge finite-element simulator for 3-D magnetotelluric (MT) responses using direct solvers, in Part II we develop an algorithm named HexMT for 3-D regularized inversion of MT data including topography. Direct solvers parallelized on large-RAM, symmetric multiprocessor (SMP) workstations are used also for the Gauss-Newton model update. By exploiting the data-space approach, the computational cost of the model update becomes much less in both time and computer memory than the cost of the forward simulation. In order to regularize using the second norm of the gradient, we factor the matrix related to the regularization term and apply its inverse to the Jacobian, which is done using the MKL PARDISO library. For dense matrix multiplication and factorization related to the model update, we use the PLASMA library which shows very good scalability across processor cores. A synthetic test inversion using a simple hill model shows that including topography can be important; in this case depression of the electric field by the hill can cause false conductors at depth or mask the presence of resistive structure. With a simple model of two buried bricks, a uniform spatial weighting for the norm of model smoothing recovered more accurate locations for the tomographic images compared to weightings which were a function of parameter Jacobians. We implement joint inversion for static distortion matrices tested using the Dublin secret model 2, for which we are able to reduce nRMS to ˜1.1 while avoiding oscillatory convergence. Finally we test the code on field data by inverting full impedance and tipper MT responses collected around Mount St Helens in the Cascade volcanic chain. Among several prominent structures, the north-south trending, eruption-controlling shear zone is clearly imaged in the inversion.

  5. Proline isomerism leads to multiple folded conformations of calbindin D9k: direct evidence from two-dimensional 1H NMR spectroscopy.

    PubMed Central

    Chazin, W J; Kördel, J; Drakenberg, T; Thulin, E; Brodin, P; Grundström, T; Forsén, S

    1989-01-01

    A complete analysis of calbindin D9k by two-dimensional 1H nuclear magnetic resonance spectroscopy has established the existence of two conformations for the folded protein in solution. Well-resolved major and minor resonances in a ratio of 3:1 are observed throughout the 1H NMR spectrum. Two-dimensional exchange experiments show that the major and minor species are related by an equilibrium process. Analysis of short proton-proton distances along the peptide backbone, identified by two-dimensional nuclear Overhauser effect spectroscopy, provides unambiguous evidence that the two forms of the folded protein differ only in the isomerization state of the peptide bond between Gly-42 and Pro-43. Cis-trans isomerism of Pro-43 is thereby directly identified as the cause of multiple conformations for the folded protein in solution. In addition, when Pro-43 is mutated to a glycine residue there is no indication of multiple conformations. These results provide evidence for the possibility of conformational heterogeneity in the native state of globular proteins. PMID:2928325

  6. Three-dimensional direct numerical simulations of co/counter-current vertical gas-Liquid annular flows

    NASA Astrophysics Data System (ADS)

    Farhaoui, Asma; Kahouadji, Lyes; Chergui, Jalel; Juric, Damir; Shin, Seungwon; Craster, Richard; Matar, Omar

    2016-11-01

    We carry out three-dimensional numerical simulations of co/counter current Gas-Liquid annular flows using the parallel code, BLUE, based on a projection method for the resolution of the Navier-Stokes equations and a hybrid Front-Tracking/Level-Set method for the interface advection. Gas-Liquid annular flows and falling films in a pipe are present in a broad range of industrial processes. This configuration consists of an important multiphase flow regime where the liquid occupies the area adjacent to the internal circumference of the pipe and the gas flows in the pipe core. Experimentally, four distinctive flow regimes were identified ('dual-wave', 'thick ripple', 'disturbance wave' and 'regular wave' regimes), that we attempt to simulate. In order to visualize these different regimes, various liquid (water) and gas (air) flow-rates are investigated. EPSRC UK Programme Grant EP/K003976/1.

  7. Magnetron sputtering based direct fabrication of three dimensional CdTe hierarchical nanotrees exhibiting stable superhydrophobic property

    NASA Astrophysics Data System (ADS)

    Luo, Bingwei; Deng, Yuan; Wang, Yao; Shi, Yongming; Cao, Lili; Zhu, Wei

    2013-09-01

    Three dimensional CdTe hierarchical nanotrees are initially prepared by a simple one-step magnetron sputtering method without any templates or additives. The CdTe hierarchical nanotrees are constructed by the spear-like vertical trunks and horizontal branches with the diameters of about 100 nm at bottom and became cuspidal on the top. The particular nanostructure imparts these materials superhydrophobic property, and this property can be preserved after placing in air for 90 days, and is stable even after the ultraviolet light and X-ray irradiation, respectively. This study provides a simple strategy to achieve superhydrophobic properties for CdTe materials at lower temperature, which opens a new potential for CdTe solar cell with self-cleaning property.

  8. Three-dimensional optical micro-angiography maps directional blood perfusion deep within microcirculation tissue beds in vivo

    NASA Astrophysics Data System (ADS)

    Wang, Ruikang K.

    2007-12-01

    Optical micro-angiography (OMAG) is a recently developed method of imaging localized blood perfusion at capillary level resolution within microcirculatory beds. This paper reports that the OMAG is capable of directional blood perfusion mapping in vivo. This is achieved simply by translating the mirror located in the reference arm back and forth while 3D imaging is performed. The mirror which moves toward the incident beam gives the blood perfusion that flows away from the beam direction and vice versa. The approach is experimentally demonstrated by imaging of a flow phantom and then cerebro-vascular perfusion of a live mouse with cranium intact.

  9. A method for the direct measurement of electronic site populations in a molecular aggregate using two-dimensional electronic-vibrational spectroscopy

    NASA Astrophysics Data System (ADS)

    Lewis, Nicholas H. C.; Dong, Hui; Oliver, Thomas A. A.; Fleming, Graham R.

    2015-09-01

    Two dimensional electronic spectroscopy has proved to be a valuable experimental technique to reveal electronic excitation dynamics in photosynthetic pigment-protein complexes, nanoscale semiconductors, organic photovoltaic materials, and many other types of systems. It does not, however, provide direct information concerning the spatial structure and dynamics of excitons. 2D infrared spectroscopy has become a widely used tool for studying structural dynamics but is incapable of directly providing information concerning electronic excited states. 2D electronic-vibrational (2DEV) spectroscopy provides a link between these domains, directly connecting the electronic excitation with the vibrational structure of the system under study. In this work, we derive response functions for the 2DEV spectrum of a molecular dimer and propose a method by which 2DEV spectra could be used to directly measure the electronic site populations as a function of time following the initial electronic excitation. We present results from the response function simulations which show that our proposed approach is substantially valid. This method provides, to our knowledge, the first direct experimental method for measuring the electronic excited state dynamics in the spatial domain, on the molecular scale.

  10. A method for the direct measurement of electronic site populations in a molecular aggregate using two-dimensional electronic-vibrational spectroscopy

    SciTech Connect

    Lewis, Nicholas H. C.; Dong, Hui; Oliver, Thomas A. A.; Fleming, Graham R.

    2015-09-28

    Two dimensional electronic spectroscopy has proved to be a valuable experimental technique to reveal electronic excitation dynamics in photosynthetic pigment-protein complexes, nanoscale semiconductors, organic photovoltaic materials, and many other types of systems. It does not, however, provide direct information concerning the spatial structure and dynamics of excitons. 2D infrared spectroscopy has become a widely used tool for studying structural dynamics but is incapable of directly providing information concerning electronic excited states. 2D electronic-vibrational (2DEV) spectroscopy provides a link between these domains, directly connecting the electronic excitation with the vibrational structure of the system under study. In this work, we derive response functions for the 2DEV spectrum of a molecular dimer and propose a method by which 2DEV spectra could be used to directly measure the electronic site populations as a function of time following the initial electronic excitation. We present results from the response function simulations which show that our proposed approach is substantially valid. This method provides, to our knowledge, the first direct experimental method for measuring the electronic excited state dynamics in the spatial domain, on the molecular scale.

  11. The Use of Total Human Bone Marrow Fraction in a Direct Three-Dimensional Expansion Approach for Bone Tissue Engineering Applications: Focus on Angiogenesis and Osteogenesis

    PubMed Central

    Oliveira, Hugo; Catros, Sylvain; Siadous, Robin; Derkaoui, Sidi-Mohammed; Bareille, Reine; Letourneur, Didier; Amédée, Joëlle

    2015-01-01

    Current approaches in bone tissue engineering have shown limited success, mostly owing to insufficient vascularization of the construct. A common approach consists of co-culture of endothelial cells and osteoblastic cells. This strategy uses cells from different sources and differentiation states, thus increasing the complexity upstream of a clinical application. The source of reparative cells is paramount for the success of bone tissue engineering applications. In this context, stem cells obtained from human bone marrow hold much promise. Here, we analyzed the potential of human whole bone marrow cells directly expanded in a three-dimensional (3D) polymer matrix and focused on the further characterization of this heterogeneous population and on their ability to promote angiogenesis and osteogenesis, both in vitro and in vivo, in a subcutaneous model. Cellular aggregates were formed within 24 h and over the 12-day culture period expressed endothelial and bone-specific markers and a specific junctional protein. Ectopic implantation of the tissue-engineered constructs revealed osteoid tissue and vessel formation both at the periphery and within the implant. This work sheds light on the potential clinical use of human whole bone marrow for bone regeneration strategies, focusing on a simplified approach to develop a direct 3D culture without two-dimensional isolation or expansion. PMID:25333855

  12. A new technique for studying directional cell migration in a hydrogel-based three-dimensional matrix for tissue engineering model systems.

    PubMed

    Topman, Gil; Shoham, Naama; Sharabani-Yosef, Orna; Lin, Feng-Huei; Gefen, Amit

    2013-08-01

    Cell migration has a key role in biological processes, e.g. malignancy, wound healing, immune response and morphogenesis. Studying migration and factors that influence it is beneficial, e.g. for developing drugs to suppress metastasis, heal wounds faster or enhance the response to infection. Though the majority of the literature describes two-dimensional (2D) migration studies in culture dishes, a more realistic approach is to study migration in three-dimensional (3D) constructs. However, simple-to-implement, straight-forward standardized quantitative techniques for analysis of migration rates of cell colonies in 3D are still required in the field. Here, we describe a new model system for quantifying directional migration of colonies in a hyaluronic acid (oxi-HA) and adipic acid dihydrazide (ADH) hydrogel-based 3D matrix. We further demonstrate that our previously reported image processing technique for measuring migration in 2D (Topman et al., 2011, 2012) is extendable for analyzing the rates of migration of cells that directionally migrate in the hydrogel and are fluorescently stained with a 4',6-diamidino-2-phenylindole (DAPI) nuclear stain. Together, the present experimental setup and image processing algorithm provide a standard test bench for measuring migration rates in a fully automated, robust assay which is useful for high-throughput screening in large-scale drug evaluations, where effects on migration in a 3D matrix are sought.

  13. Two-dimensional direct-current resistivity survey to supplement borehole data in ground-water models of the former Blaine Naval Ammunition Depot, Hastings, Nebraska, September 2003

    USGS Publications Warehouse

    Kress, Wade H.; Ball, Lyndsay B.; Teeple, Andrew; Turco, Michael J.

    2006-01-01

    The former Blaine Naval Ammunition Depot located immediately southeast of Hastings, Nebraska, was an ammunition facility during World War II and the Korean Conflict. Waste-management practices during operation and decommissioning of the former Depot resulted in soil and ground-water contamination. Ground-water models have been used by the U.S. Army Corps of Engineers to provide information on the fate and transport of contaminants on the former Depot site. During September 2003, the U.S. Geological Survey, in cooperation with the U.S. Army Corps of Engineers, Kansas City District, conducted a pilot study to collect two-dimensional direct-current resistivity data on the site along six profiles near existing monitoring wells. The inversion results of field data from five of the six two-dimensional direct-current resistivity profiles display distinct electrical stratigraphy consistent with three resistivity units (low resistivity, high resistivity, and low resistivity). These three resistivity units correlate with rock-stratigraphic or hydrogeologic units described prior to this study. To interpret the resistivity profiles, additional data extending through the lower confining unit into the underlying Niobrara Formation could be used with the existing data to construct forward models for data analysis and interpretation.

  14. Comment on ``Simulation of a two-dimensional Rayleigh-Benard system using the direct simulation Monte Carlo method``

    SciTech Connect

    Garcia, A.L.; Baras, F.; Mansour, M.M.

    1994-06-30

    In a recent paper, Watanabe, {ital et. al.} used direct simulation Monte Carlo to study Rayleigh-B{acute e}nard convection. They reported that, using stress-free boundary conditions, the onset of convection in the simulation occurred at a Rayleigh number much larger than the critical Rayleigh number predicted by linear stability analysis. We show that the source of their discrepancy is their failure to include the temperature jump effect in the calculation of Rayleigh number.

  15. A Unified Direct-Inverse Procedure for Two-Dimensional Boundary Layers Using Spline/Finite Difference Discretization.

    DTIC Science & Technology

    1987-02-01

    pt. 50 20 7 Potential 3b I-A 3 pt. 47 20 7 Potential 3c D 3 pt. 40 20 7 Hiemenz Fit 3d I-A 3 pt. 36 20 7 Hiemenz Fit V _ _ _ _ _ _ _ 4...the Hiemenz polynomial fit of the edge velocity for viscous flow. This case is included to test the ability of the direct and inverse methods to

  16. Toward Metal-Organic Framework-Based Solar Cells: Enhancing Directional Exciton Transport by Collapsing Three-Dimensional Film Structures.

    PubMed

    Goswami, Subhadip; Ma, Lin; Martinson, Alex B F; Wasielewski, Michael R; Farha, Omar K; Hupp, Joseph T

    2016-11-16

    Owing to their ability to act as light-harvesting scaffolds, porphyrin-containing metal-organic frameworks (MOFs) are in the forefront of research on the application of highly ordered molecular materials to problems in solar-energy conversion. In this work, solvent-assisted linker exchange (SALE) is performed on a pillared paddlewheel porphyrin containing MOF thin film to collapse a 3D framework to a 2D framework. The change in dimensionality of the framework is confirmed by a decrease in the film thickness, the magnitude of which is in agreement with crystallographic parameters for related bulk materials. Furthermore, NMR spectroscopy performed on the digested sample suggests a similar change in geometry is achieved in bulk MOF samples. The decreased distance between the porphyrin chromophores in the 2D MOF film compared to the 3D film results in enhanced energy transfer through the film. The extent of energy transport was probed by assembling MOF thin film where the outermost layers are palladium porphyrin (P2) units, which act as energy traps and fluorescence quenchers. Steady-state emission spectroscopy together with time-resolved emission spectroscopy indicates that excitons can travel through about 9-11 layers (porphyrin layers) in 2D films, whereas in 3D films energy transfer occurs through no more than about 6-8 layers. The results are difficult to understand if only changes in MOF interlayer spacing are considered but become much more understandable if dipole-dipole coupling distances are considered.

  17. Laser-guided direct writing for three-dimensional tissue engineering: Analysis and application of radiation forces

    NASA Astrophysics Data System (ADS)

    Nahmias, Yaakov Koby

    Tissue Engineering aims for the creation of functional tissues or organs using a combination of biomaterials and living cells. Artificial tissues can be implanted in patients to restore tissue function that was lost due to trauma, disease, or genetic disorder. Tissue equivalents may also be used to screen the effects of drugs and toxins, reducing the use of animals in research. One of the principle limitations to the size of engineered tissue is oxygen and nutrient transport. Lacking their own vascular bed, cells embedded in the engineered tissue will consume all available oxygen within hours while out branching blood vessels will take days to vascularize the implanted tissue. Establishing capillaries within the tissue prior to implantation can potentially eliminate this limitation. One approach to establishing capillaries within the tissue is to directly write endothelial cells with micrometer accuracy as it is being built. The patterned endothelial cells will then self-assemble into vascular structures within the engineering tissue. The cell patterning technique known as laser-guided direct writing can confine multiple cells in a laser beam and deposit them as a steady stream on any non-absorbing surface with micrometer scale accuracy. By applying the generalized Lorenz-Mie theory for light scattering on laser-guided direct writing we were able to accurately predict the behavior of with various cells and particles in the focused laser. In addition, two dimensionless parameters were identified for general radiation-force based system design. Using laser-guided direct writing we were able to direct the assembly of endothelial vascular structures with micrometer accuracy in two and three dimensions. The patterned vascular structures provided the backbone for subsequent in vitro liver morphogenesis. Our studies show that hepatocytes migrate toward and adhere to endothelial vascular structures in response to endothelial-secreted hepatocyte growth factor (HGF). Our

  18. Theory of substrate-directed heat dissipation for single-layer graphene and other two-dimensional crystals

    NASA Astrophysics Data System (ADS)

    Ong, Zhun-Yong; Cai, Yongqing; Zhang, Gang

    2016-10-01

    We present a theory of the phononic thermal (Kapitza) resistance at the interface between graphene or another single-layer two-dimensional (2D) crystal (e.g., MoS2) and a flat substrate, based on a modified version of the cross-plane heat transfer model by Persson, Volokitin, and Ueba [J. Phys.: Condens. Matter 23, 045009 (2011), 10.1088/0953-8984/23/4/045009]. We show how intrinsic flexural phonon damping is necessary for obtaining a finite Kapitza resistance and also generalize the theory to encased single-layer 2D crystals with a superstrate. We illustrate our model by computing the thermal boundary conductance (TBC) for bare and SiO2-encased single-layer graphene and MoS2 on a SiO2 substrate, using input parameters from first-principles calculation. The estimated room temperatures TBC for bare (encased) graphene and MoS2 on SiO2 are 34.6 (105) and 3.10 (5.07) MWK -1m-2 , respectively. The theory predicts the existence of a phonon frequency crossover point, below which the low-frequency flexural phonons in the bare 2D crystal do not dissipate energy efficiently to the substrate. We explain within the framework of our theory how the encasement of graphene with a top SiO2 layer introduces new low-frequency transmission channels, which significantly reduce the graphene-substrate Kapitza resistance. We emphasize that the distinction between bare and encased 2D crystals must be made in the analysis of cross-plane heat dissipation to the substrate.

  19. Direct Fabrication of Functional Ultrathin Single-Crystal Nanowires from Quasi-One-Dimensional van der Waals Crystals.

    PubMed

    Liu, Xue; Liu, Jinyu; Antipina, Liubov Yu; Hu, Jin; Yue, Chunlei; Sanchez, Ana M; Sorokin, Pavel B; Mao, Zhiqiang; Wei, Jiang

    2016-10-12

    Micromechanical exfoliation of two-dimensional (2D) van der Waals materials has triggered an explosive interest in 2D material research. The extension of this idea to 1D van der Waals materials, possibly opening a new arena for 1D material research, has not yet been realized. In this paper, we demonstrate that 1D nanowire with sizes as small as six molecular ribbons, can be readily achieved in the Ta2(Pd or Pt)3Se8 system by simple micromechanical exfoliation. Exfoliated Ta2Pd3Se8 nanowires are n-type semiconductors, whereas isostructural Ta2Pt3Se8 nanowires are p-type semiconductors. Both types of nanowires show excellent electrical switching performance as the channel material for a field-effect transistor. Low-temperature transport measurement reveals a defect level inherent to Ta2Pd3Se8 nanowires, which enables the observed electrical switching behavior at high temperature (above 140 K). A functional logic gate consisting of both n-type Ta2Pd3Se8 and p-type Ta2Pt3Se8 field-effect transistors has also been successfully achieved. By taking advantage of the high crystal quality derived from the parent van der Waals bulk compound, our findings about the exfoliated Ta2(Pd or Pt)3Se8 nanowires demonstrate a new pathway to access single-crystal 1D nanostructures for the study of their fundamental properties and the exploration of their applications in electronics, optoelectronics, and energy harvesting.

  20. Directional asymmetry of the nonlinear wave phenomena in a three-dimensional granular phononic crystal under gravity.

    PubMed

    Merkel, A; Tournat, V; Gusev, V

    2014-08-01

    We report the experimental observation of the gravity-induced asymmetry for the nonlinear transformation of acoustic waves in a noncohesive granular phononic crystal. Because of the gravity, the contact precompression increases with depth inducing space variations of not only the linear and nonlinear elastic moduli but also of the acoustic wave dissipation. We show experimentally and explain theoretically that, in contrast to symmetric propagation of linear waves, the amplitude of the nonlinearly self-demodulated wave depends on whether the propagation of the waves is in the direction of the gravity or in the opposite direction. Among the observed nonlinear processes, we report frequency mixing of the two transverse-rotational modes belonging to the optical band of vibrations and propagating with negative phase velocities, which results in the excitation of a longitudinal wave belonging to the acoustic band of vibrations and propagating with positive phase velocity. We show that the measurements of the gravity-induced asymmetry in the nonlinear acoustic phenomena can be used to compare the in-depth distributions of the contact nonlinearity and of acoustic absorption.

  1. Directional asymmetry of the nonlinear wave phenomena in a three-dimensional granular phononic crystal under gravity

    NASA Astrophysics Data System (ADS)

    Merkel, A.; Tournat, V.; Gusev, V.

    2014-08-01

    We report the experimental observation of the gravity-induced asymmetry for the nonlinear transformation of acoustic waves in a noncohesive granular phononic crystal. Because of the gravity, the contact precompression increases with depth inducing space variations of not only the linear and nonlinear elastic moduli but also of the acoustic wave dissipation. We show experimentally and explain theoretically that, in contrast to symmetric propagation of linear waves, the amplitude of the nonlinearly self-demodulated wave depends on whether the propagation of the waves is in the direction of the gravity or in the opposite direction. Among the observed nonlinear processes, we report frequency mixing of the two transverse-rotational modes belonging to the optical band of vibrations and propagating with negative phase velocities, which results in the excitation of a longitudinal wave belonging to the acoustic band of vibrations and propagating with positive phase velocity. We show that the measurements of the gravity-induced asymmetry in the nonlinear acoustic phenomena can be used to compare the in-depth distributions of the contact nonlinearity and of acoustic absorption.

  2. The direct-to-indirect band gap crossover in two-dimensional van der Waals Indium Selenide crystals

    NASA Astrophysics Data System (ADS)

    Mudd, G. W.; Molas, M. R.; Chen, X.; Zólyomi, V.; Nogajewski, K.; Kudrynskyi, Z. R.; Kovalyuk, Z. D.; Yusa, G.; Makarovsky, O.; Eaves, L.; Potemski, M.; Fal’Ko, V. I.; Patanè, A.

    2016-12-01

    The electronic band structure of van der Waals (vdW) layered crystals has properties that depend on the composition, thickness and stacking of the component layers. Here we use density functional theory and high field magneto-optics to investigate the metal chalcogenide InSe, a recent addition to the family of vdW layered crystals, which transforms from a direct to an indirect band gap semiconductor as the number of layers is reduced. We investigate this direct-to-indirect bandgap crossover, demonstrate a highly tuneable optical response from the near infrared to the visible spectrum with decreasing layer thickness down to 2 layers, and report quantum dot-like optical emissions distributed over a wide range of energy. Our analysis also indicates that electron and exciton effective masses are weakly dependent on the layer thickness and are significantly smaller than in other vdW crystals. These properties are unprecedented within the large family of vdW crystals and demonstrate the potential of InSe for electronic and photonic technologies.

  3. The direct-to-indirect band gap crossover in two-dimensional van der Waals Indium Selenide crystals

    PubMed Central

    Mudd, G. W.; Molas, M. R.; Chen, X.; Zólyomi, V.; Nogajewski, K.; Kudrynskyi, Z. R.; Kovalyuk, Z. D.; Yusa, G.; Makarovsky, O.; Eaves, L.; Potemski, M.; Fal’ko, V. I.; Patanè, A.

    2016-01-01

    The electronic band structure of van der Waals (vdW) layered crystals has properties that depend on the composition, thickness and stacking of the component layers. Here we use density functional theory and high field magneto-optics to investigate the metal chalcogenide InSe, a recent addition to the family of vdW layered crystals, which transforms from a direct to an indirect band gap semiconductor as the number of layers is reduced. We investigate this direct-to-indirect bandgap crossover, demonstrate a highly tuneable optical response from the near infrared to the visible spectrum with decreasing layer thickness down to 2 layers, and report quantum dot-like optical emissions distributed over a wide range of energy. Our analysis also indicates that electron and exciton effective masses are weakly dependent on the layer thickness and are significantly smaller than in other vdW crystals. These properties are unprecedented within the large family of vdW crystals and demonstrate the potential of InSe for electronic and photonic technologies. PMID:28008964

  4. Time-multiplexed three-dimensional displays based on directional backlights with fast-switching liquid-crystal displays.

    PubMed

    Chien, Ko-Wei; Shieh, Han-Ping D

    2006-05-01

    An autostereoscopic display using a directional backlight with a fast-switching liquid-crystal (LC) display was designed and fabricated to obtain a better perception of 3D images by enhanced resolution and brightness. A grooved light guide in combination with an asymmetric focusing foil was utilized to redirect the emitting cones of light to the left and right eyes, respectively. By designing the groove structures of the focusing foil with rotation from -1.5 degrees to 1.5 degrees in the gradient and having the pitch ratio of the grooved light guide to the focusing foil of less than 3, the boundary angle then shifts from normal viewing and the moiré phenomenon can be suppressed. Cross talk of less than 6% and a LC response time of faster than 7.1 ms further improve the stereoscopic image perception. Additionally, 2D-3D compatibility is provided.

  5. Three-dimensional direct numerical simulation study of conditioned moments associated with front propagation in turbulent flows

    NASA Astrophysics Data System (ADS)

    Yu, R.; Lipatnikov, A. N.; Bai, X. S.

    2014-08-01

    In order to gain further insight into (i) the use of conditioned quantities for characterizing turbulence within a premixed flame brush and (ii) the influence of front propagation on turbulent scalar transport, a 3D Direct Numerical Simulation (DNS) study of an infinitely thin front that self-propagates in statistically stationary, homogeneous, isotropic, forced turbulence was performed by numerically integrating Navier-Stokes and level set equations. While this study was motivated by issues relevant to premixed combustion, the density was assumed to be constant in order (i) to avoid the influence of the front on the flow and, therefore, to know the true turbulence characteristics as reference quantities for assessment of conditioned moments and (ii) to separate the influence of front propagation on turbulent transport from the influence of pressure gradient induced by heat release. Numerical simulations were performed for two turbulence Reynolds numbers (50 and 100) and four ratios (1, 2, 5, and 10) of the rms turbulent velocity to the front speed. Obtained results show that, first, the mean front thickness is decreased when a ratio of the rms turbulent velocity to the front speed is decreased. Second, although the gradient diffusion closure yields the right direction of turbulent scalar flux obtained in the DNS, the diffusion coefficient Dt determined using the DNS data depends on the mean progress variable. Moreover, Dt is decreased when the front speed is increased, thus, indicating that the front propagation affects turbulent scalar transport even in a constant-density case. Third, conditioned moments of the velocity field differ from counterpart mean moments, thus, disputing the use of conditioned velocity moments for characterizing turbulence when modeling premixed turbulent combustion. Fourth, computed conditioned enstrophies are close to the mean enstrophy in all studied cases, thus, suggesting the use of conditioned enstrophy for characterizing turbulence

  6. Two dimensional joint inversion of direct current resistivity, radio-magnetotelluric and seismic refraction data: An application from Bafra Plain, Turkey

    NASA Astrophysics Data System (ADS)

    Demirci, İsmail; Candansayar, Mehmet Emin; Vafidis, Antonis; Soupios, Pantelis

    2017-04-01

    Direct current resistivity, radio-magnetotelluric and seismic refraction methods are widely used in the identification of near surface structures with collected data generally being interpreted separately. In recent decades, the use of joint inversion algorithms in geosciences has become widespread to identify near surface structures. However, there is no developed joint inversion algorithm using direct current resistivity, radio-magnetotelluric and seismic refraction methods. In this study, we developed a new two-dimensional joint inversion algorithm for direct current resistivity, radio-magnetotelluric and seismic refraction data based on a cross gradient approach. In addition, we proposed a new data weighting matrix to stabilize the convergence behavior of the joint inversion algorithms. We used synthetic data to show the advantage of the algorithm. The developed joint inversion algorithm found resistivity and velocity models that are better than the individual inversion of each data set. We also tested an algorithm with the field data collected in the Bafra Plain (Samsun, Turkey) to investigate saltwater intrusion. In comparing the field data inversion results with the sounding log, it can be seen that the developed joint inversion algorithm with the proposed data weighting matrix recovered the resistivity and velocity model better than the individual inversion and classical joint inversion of each data set. Our results showed that a more unique hydrogeological scenario might be obtained, especially in highly conductive media, with the joint usage of these methods.

  7. Direct design of freeform surfaces and freeform imaging systems with a point-by-point three-dimensional construction-iteration method.

    PubMed

    Yang, Tong; Zhu, Jun; Wu, Xiaofei; Jin, Guofan

    2015-04-20

    In this paper, we proposed a general direct design method for three-dimensional freeform surfaces and freeform imaging systems based on a construction-iteration process. In the preliminary surfaces-construction process, the coordinates as well as the surface normals of the data points on the multiple freeform surfaces can be calculated directly considering the rays of multiple fields and different pupil coordinates. Then, an iterative process is employed to significantly improve the image quality or achieve a better mapping relationship of the light rays. Three iteration types which are normal iteration, negative feedback and successive approximation are given. The proposed construction-iteration method is applied in the design of an easy aligned, low F-number off-axis three-mirror system. The primary and tertiary mirrors can be fabricated on a single substrate and form a single element in the final system. The secondary mirror is simply a plane mirror. With this configuration, the alignment difficulty of a freeform system can be greatly reduced. After the preliminary surfaces-construction stage, the freeform surfaces in the optical system can be generated directly from an initial planar system. Then, with the iterative process, the average RMS spot diameter decreased by 75.4% compared with the system before iterations, and the maximum absolute distortion decreased by 94.2%. After further optimization with optical design software, good image quality which is closed to diffraction-limited is achieved.

  8. Three-dimensional numerical simulations of lamellar structure via two-step surface-directed phase separation in polymer blend films.

    PubMed

    Yan, Li-Tang; Li, Jialin; Xie, Xu-Ming

    2008-06-14

    Lamellar structure via two-step surface-directed phase separation in polymer blend films is numerically investigated in three-dimensional (3D) space, which is more physically appropriate for the experimental situation than that in two-dimensional (2D) space [L.-T. Yan and X. M. Xie, J. Chem. Phys. 128, 034901 (2008)]. The 3D phase morphology and its evolution dynamics in both critical and off-critical conditions have been studied. The wetting layer formation mechanism during the second quench has been concerned. The effects of noise on the ordered phase structures have also been examined. The simulated results in 3D space give a more certain evidence that the lamellar structure can be induced by the surface or interface when the system is in the equilibration state with very shallow quench depth first and then imposed on a further quench depth in the unstable region of the phase diagram. It is found that the lamellar structure can also be induced in the polymer blends with off-critical condition. The simulated results demonstrate that the formation of the lamellar structure can present two basic processes and obey logarithmic growth law at the initial and metaphase stages. The results also show that a stronger thermal noise corresponds to a smaller region with the lamellar structure.

  9. Estrogenic and dioxin-like compounds in sediment from Zierikzee harbour identified with CALUX assay-directed fractionation combined with one and two dimensional gas chromatography analyses.

    PubMed

    Houtman, Corine J; Booij, Petra; Jover, Eric; Pascual del Rio, David; Swart, Kees; van Velzen, Martin; Vreuls, Rene; Legler, Juliette; Brouwer, Abraham; Lamoree, Marja H

    2006-12-01

    The identity of compounds responsible for estrogenic and dioxin-like activities in sediment from the harbour of the small town Zierikzee in Zeeland, The Netherlands, was investigated using a bioassay directed fractionation approach with the in vitro estrogen and dioxin responsive reporter gene assays ER- and DR-CALUX. For identification of compounds exhibiting activity in the bioassays, either one or two-dimensional GC in combination with quadrupole (MSD), ion trap (ITD) or time-of-flight mass spectrometric detection (ToF-MS) was used, depending on the biological and chemical characteristics and the complexity of the fractions. The natural estrogenic hormone 17-beta-estradiol and its metabolite estrone were identified with GC-ITD as the main contributors to the estrogenic activity. After successive rounds of fractionation, the dioxin-like activity could be explained by the presence of various polycyclic aromatic hydrocarbons identified with GC-MSD and two-dimensional comprehensive GC x GC-ToF-MS. Some estrogenic activity of a relatively non-polar nature remained unidentified.

  10. The role of minerals in the thermal alteration of organic matter. IV - Generation of n-alkanes, acyclic isoprenoids, and alkenes in laboratory experiments

    NASA Technical Reports Server (NTRS)

    Huizinga, Bradley J.; Tannenbaum, Eli; Kaplan, Isaac R.

    1987-01-01

    The effect of common sedimentary minerals (illite, Na-montmorillonite, or calcite) under different water concentrations on the generation and release of n-alkanes, acyclic isoprenoids, and select alkenes from oil-prone kerogens was investigated. Matrices containing Green River Formation kerogen or Monterey Formation kerogen, alone or in the presence of minerals, were heated at 200 or 300 C for periods of up to 1000 hours, and the pyrolysis products were analyzed. The influence of the first two clay minerals was found to be critically dependent on the water content. Under the dry pyrolysis conditions, both minerals significantly reduced alkene formation; the C12+ n-alkanes and acyclic isoprenoids were mostly destroyed by montmorillonite, but underwent only minor alteration with illite. Under hydrous conditions (mineral/water of 2/1), the effects of both minerals were substantially reduced. Calcite had no significant effect on the thermal evolution of the hydrocarbons.

  11. The role of minerals in the thermal alteration of organic matter. IV - Generation of n-alkanes, acyclic isoprenoids, and alkenes in laboratory experiments

    NASA Astrophysics Data System (ADS)

    Huizinga, Bradley J.; Tannenbaum, Eli; Kaplan, Isaac R.

    1987-05-01

    The effect of common sedimentary minerals (illite, Na-montmorillonite, or calcite) under different water concentrations on the generation and release of n-alkanes, acyclic isoprenoids, and select alkenes from oil-prone kerogens was investigated. Matrices containing Green River Formation kerogen or Monterey Formation kerogen, alone or in the presence of minerals, were heated at 200 or 300 C for periods of up to 1000 hours, and the pyrolysis products were analyzed. The influence of the first two clay minerals was found to be critically dependent on the water content. Under the dry pyrolysis conditions, both minerals significantly reduced alkene formation; the C12+ n-alkanes and acyclic isoprenoids were mostly destroyed by montmorillonite, but underwent only minor alteration with illite. Under hydrous conditions (mineral/water of 2/1), the effects of both minerals were substantially reduced. Calcite had no significant effect on the thermal evolution of the hydrocarbons.

  12. Two-dimensional simulation of a two-phase, regenerative pumped radiator loop utilizing direct contact heat transfer with phase change

    NASA Astrophysics Data System (ADS)

    Rhee, Hyop S.; Begg, Lester L.; Wetch, Joseph R.; Jang, Jong H.; Juhasz, Albert J.

    An innovative pumped loop concept for 600 K space power system radiators utilizing direct contact heat transfer, which facilitates repeated startup/shutdown of the power system without complex and time-consuming coolant thawing during power startup, is under development. The heat transfer process with melting/freezing of Li in an NaK flow was studied through two-dimensional time-dependent numerical simulations to characterize and predict the Li/NaK radiator performance during startup (thawing) and shutdown (cold-trapping). Effects of system parameters and the criteria for the plugging domain are presented together with temperature distribution patterns in solid Li and subsequent melting surface profile variations in time.

  13. Direct laser writing of three-dimensional narrow bandgap and high refractive-index PbSe structures in a solution.

    PubMed

    Gan, Zongsong; Cao, Yaoyu; Gu, Min

    2013-05-06

    Three-dimensional (3D) micro/nano structures made of narrow electronic bandgap semiconductor materials have important applications in a wide range of disciplines. Direct laser writing (DLW) provides the unparalleled advantage to fabricate 3D arbitrary geometric structures at the micro and nano meter scale. The fabrication of 3D structures within bulk narrow electronic bandgap semiconductor materials by DLW is challenged for the top-down strategy due to their narrow bandgap and high refractive index. Here, we report on the bottom-up strategy for the fabrication of 3D micro/nano structures made from PbSe with an electronic bandgap as narrow as 0.27 eV and a refractive index as high as 4.82 in a solution.

  14. Pt loaded two-dimensional TaC-nanosheet/graphene hybrid as an efficient and durable electrocatalyst for direct methanol fuel cells

    NASA Astrophysics Data System (ADS)

    He, Chunyong; Tao, Juzhou

    2016-08-01

    Poor electrocatalytic activity, insufficient operation durability and low carbon monoxide (CO) tolerance of the Pt-based catalysts are key challenges facing the direct methanol fuel cells (DMFCs) as promising electrochemical energy conversion device. We here present a new effort to catalyst designed by depositing Pt nanoparticles on two-dimensional (2D) TaC-nanosheet/graphene hybird (Pt/TaC-G) to obtain notable improvement in electrocatalytic performance over the commercial Pt/C. Experiment results from both X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS) support that a strong synergetic chemical coupling interaction between the Pt nanoparticles and the 2D TaC-G significantly enhanced electrocatalytic activity for methanol oxidation reaction (MOR). This process can improve the CO tolerance as well as durability of MOR catalysts simultaneously, making it a promising general approach to design and optimize the next generation electrocatalysts in DMFCs.

  15. Simultaneous enantiomeric determinations of acid and ester imidazolinone herbicides in a soil sample by two-dimensional direct chiral liquid chromatography.

    PubMed

    Polo-Díez, L M; Santos-Delgado, M J; Valencia-Cabrerizo, Y; León-Barrios, Y

    2015-11-01

    A two-dimensional HPLC method for the simultaneous direct chiral enantiomeric determination of acid and ester IMI herbicides has been described. Difficulties arising from differences in polarity were overcome. Firstly, the imazaphyr, imazethapyr and imazamethabenz methyl herbicides were separated in a C18 achiral column. Then, their respective enantiomers were separated using a protein chiral AGP(TM) column; a heart-cut mode was used. Mobile phases of the two systems were compatibilized, after optimizing by factorial design using multiple response analysis. The proposed method has been validated by recovery studies from an enriched soil sample. Important enantiomer parameters such as enantioresolution higher than 1.12, enantiomeric ratio (ER) close to 1 and enantiomeric fraction (EF) around 0.5 were obtained for standards, confirming that herbicides are present as racemates.

  16. Simultaneous enantioselective quantification of fluoxetine and norfluoxetine in human milk by direct sample injection using 2-dimensional liquid chromatography-tandem mass spectrometry.

    PubMed

    Alvim-Jr, Joel; Lopes, Bianca Rebelo; Cass, Quezia Bezerra

    2016-06-17

    A two-dimensional liquid chromatography system coupled to triple quadrupole tandem mass spectrometer (2D LC-MS/MS) was employed for the simultaneously quantification of fluoxetine (FLX) and norfluoxetine (NFLX) enantiomers in human milk by direct injection of samples. A restricted access media of bovine serum albumin octadecyl column (RAM-BSAC18) was used in the first dimension for the milk proteins depletion, while an antibiotic-based chiral column was used in the second dimension. The results herein described show good selectivity, extraction efficiency, accuracy, and precision with limits of quantification in the order of 7.5ngmL(-1)for the FLX enantiomers and 10.0ngmL(-1) for NFLX enantiomers. Furthermore, it represents a practical tool in terms of sustainability for the sample preparation of such a difficult matrix.

  17. Three-dimensional aligned nanofibers-hydrogel scaffold for controlled non-viral drug/gene delivery to direct axon regeneration in spinal cord injury treatment

    PubMed Central

    Nguyen, Lan Huong; Gao, Mingyong; Lin, Junquan; Wu, Wutian; Wang, Jun; Chew, Sing Yian

    2017-01-01

    Spinal cord injuries (SCI) often lead to persistent neurological dysfunction due to failure in axon regeneration. Unfortunately, currently established treatments, such as direct drug administration, do not effectively treat SCI due to rapid drug clearance from our bodies. Here, we introduce a three-dimensional aligned nanofibers-hydrogel scaffold as a bio-functionalized platform to provide sustained non-viral delivery of proteins and nucleic acid therapeutics (small non-coding RNAs), along with synergistic contact guidance for nerve injury treatment. A hemi-incision model at cervical level 5 in the rat spinal cord was chosen to evaluate the efficacy of this scaffold design. Specifically, aligned axon regeneration was observed as early as one week post-injury. In addition, no excessive inflammatory response and scar tissue formation was triggered. Taken together, our results demonstrate the potential of our scaffold for neural tissue engineering applications. PMID:28169354

  18. Autofocus technique for three-dimensional imaging, direct-detection laser radar using Geiger-mode avalanche photodiode focal-plane array.

    PubMed

    Oh, Min Seok; Kong, Hong Jin; Kim, Tae Hoon; Jo, Sung Eun

    2010-12-15

    An autofocus technique is proposed for a three-dimensional imaging, direct-detection laser radar system that uses a Geiger-mode avalanche photodiode focal plane array (GmAPD-FPA). This technique is implemented by pointing laser pulses on a target of interest and observing its scattered photon distribution on a GmAPD-FPA. Measuring the standard deviation of the photon distribution on a GmAPD-FPA enables the best focus condition to be found. The feasibility of this technique is demonstrated experimentally by employing a 1 × 8 pixel GmAPD-FPA. It is shown that the spatial resolution improves when the GmAPD-FPA is located in the best focus position found by the autofocus technique.

  19. Three-dimensional aligned nanofibers-hydrogel scaffold for controlled non-viral drug/gene delivery to direct axon regeneration in spinal cord injury treatment.

    PubMed

    Nguyen, Lan Huong; Gao, Mingyong; Lin, Junquan; Wu, Wutian; Wang, Jun; Chew, Sing Yian

    2017-02-07

    Spinal cord injuries (SCI) often lead to persistent neurological dysfunction due to failure in axon regeneration. Unfortunately, currently established treatments, such as direct drug administration, do not effectively treat SCI due to rapid drug clearance from our bodies. Here, we introduce a three-dimensional aligned nanofibers-hydrogel scaffold as a bio-functionalized platform to provide sustained non-viral delivery of proteins and nucleic acid therapeutics (small non-coding RNAs), along with synergistic contact guidance for nerve injury treatment. A hemi-incision model at cervical level 5 in the rat spinal cord was chosen to evaluate the efficacy of this scaffold design. Specifically, aligned axon regeneration was observed as early as one week post-injury. In addition, no excessive inflammatory response and scar tissue formation was triggered. Taken together, our results demonstrate the potential of our scaffold for neural tissue engineering applications.

  20. Direct reconstruction of glacier bedrock from known free surface data using the one-dimensional shallow ice approximation

    NASA Astrophysics Data System (ADS)

    Gessese, A.; Heining, C.; Sellier, M.; Mc Nish, R.; Rack, W.

    2015-01-01

    Glaciers are an important component of the climate system that respond sensitively to climate change. Small glaciers respond more quickly to changing weather patterns compared to large polar ice sheets and ice caps that make them ideal to study climate variability. This study relates to the numerical reconstruction of the glacier bed in order to generate basal boundary data for ice flow models. Bedrock elevation is a paramount input parameter in glacier flow modeling to accurately capture its flow dynamics but is difficult to measure. We present an easy to implement direct numerical and analytical methodology to infer the bedrock geometry under glacial ice from the knowledge of the free surface elevation or the free surface velocity in one space dimension. The numerical and analytical methods are both based on the shallow ice approximation and require the time series of the surface mass balance distribution. Moreover, the analytical method requires the knowledge of the glacier thickness at one arbitrary location. Numerical benchmark test cases are used to verify the suitability and applicability of the algorithms, and a sensitivity analysis demonstrates the robustness of the method.

  1. Direct inversion of surface wave dispersion for three-dimensional shallow crustal structure based on ray tracing: methodology and application

    NASA Astrophysics Data System (ADS)

    Fang, Hongjian; Yao, Huajian; Zhang, Haijiang; Huang, Yu-Chih; van der Hilst, Robert D.

    2015-06-01

    We propose a method to invert surface wave dispersion data directly for 3-D variations of shear wave speed, that is, without the intermediate step of phase or group velocity maps, using frequency-dependent ray tracing and a wavelet-based sparsity-constrained tomographic inversion. A fast marching method is used to compute, at each period, surface wave traveltimes and ray paths between sources and receivers. This avoids the assumption of great-circle propagation that is used in most surface wave tomographic studies, but which is not appropriate in complex media. To simplify the problem we consider quasi-stratified media with smoothly varying seismic properties. We represent the 3-D shear wave speed model by means of 1-D profiles beneath grid points, which are determined from all dispersion data simultaneously using a wavelet-based sparsity-constrained tomographic method. The wavelet coefficients of the wave speed model are estimated with an iteratively reweighted least squares algorithm, and upon iteration the surface wave ray paths and the data sensitivity matrix are updated using the newly obtained wave speed model. To demonstrate its feasibility, we apply the method to determine the 3-D shallow crustal shear wave speed variations in the Taipei basin of Taiwan using short period interstation Rayleigh wave phase velocity dispersion measurements extracted from the ambient noise cross-correlation method. The results are consistent with previous studies and reveal strong shallow crustal heterogeneity that correlates with surface geology.

  2. Direct measurement of the spin gap in a quasi-one-dimensional clinopyroxene: NaTiSi2O6

    DOE PAGES

    Silverstein, Harlyn J.; Smith, Alison E.; Mauws, Cole; ...

    2014-10-13

    True inorganic Spin-Peierls materials are extremely rare, but NaTiSi2O6 was at one time considered an ideal candidate due to it having well separated chains of edge-sharing TiO6 octahedra. At low temperatures, this material undergoes a phase transition from C2/c to Pmore » $$\\bar{1}$$ symmetry, where Ti3+-Ti3+ dimers begin to form within the chains. However, it was quickly realized with magnetic susceptibility that simple spin fluctuations do not progress to the point of enabling such a transition. Since then, considerable experimental and theoretical endeavours have been taken to find the true ground state of this system and explain how it manifests. Here, we employ the use of x-ray diffraction, neutron spectroscopy, and magnetic susceptibility to directly and simultaneously measure the symmetry loss, spin singlet-triplet gap, and phonon modes. Lastly, we observed a gap of 53(3) meV, fit to the magnetic susceptibility, and compared to previous theoretical models to unambiguously assign NaTiSi2O6 as having an orbital-assisted Peierls ground state.« less

  3. Activated full-length myosin-X moves processively on filopodia with large steps toward diverse two-dimensional directions

    PubMed Central

    Sato, Osamu; Jung, Hyun Suk; Komatsu, Satoshi; Tsukasaki, Yoshikazu; Watanabe, Tomonobu M.; Homma, Kazuaki; Ikebe, Mitsuo

    2017-01-01

    Myosin-X, (Myo 10), is an unconventional myosin that transports the specific cargos to filopodial tips, and is associated with the mechanism underlying filopodia formation and extension. To clarify the innate motor characteristic, we studied the single molecule movement of a full-length myosin-X construct with leucine zipper at the C-terminal end of the tail (M10FullLZ) and the tail-truncated myosin-X without artificial dimerization motif (BAP-M101–979HMM). M10FullLZ localizes at the tip of filopodia like myosin-X full-length (M10Full). M10FullLZ moves on actin filaments in the presence of PI(3,4,5)P3, an activator of myosin-X. Single molecule motility analysis revealed that the step sizes of both M10FullLZ and BAP-M101–979HMM are widely distributed on single actin filaments that is consistent with electron microscopy observation. M10FullLZ moves on filopodial actin bundles of cells with a mean step size (~36 nm), similar to the step size on single actin filaments (~38 nm). Cartesian plot analysis revealed that M10FullLZ meandered on filopodial actin bundles to both x- and y- directions. These results suggest that the lever-arm of full-length myosin-X is flexible enough to processively steps on different actin filaments within the actin bundles of filopodia. This characteristic of myosin-X may facilitate actin filament convergence for filopodia production. PMID:28287133

  4. Viral cystatin evolution and three-dimensional structure modelling: A case of directional selection acting on a viral protein involved in a host-parasitoid interaction

    PubMed Central

    Serbielle, Céline; Chowdhury, Shafinaz; Pichon, Samuel; Dupas, Stéphane; Lesobre, Jérôme; Purisima, Enrico O; Drezen, Jean-Michel; Huguet, Elisabeth

    2008-01-01

    Background In pathogens, certain genes encoding proteins that directly interact with host defences coevolve with their host and are subject to positive selection. In the lepidopteran host-wasp parasitoid system, one of the most original strategies developed by the wasps to defeat host defences is the injection of a symbiotic polydnavirus at the same time as the wasp eggs. The virus is essential for wasp parasitism success since viral gene expression alters the immune system and development of the host. As a wasp mutualist symbiont, the virus is expected to exhibit a reduction in genome complexity and evolve under wasp phyletic constraints. However, as a lepidopteran host pathogenic symbiont, the virus is likely undergoing strong selective pressures for the acquisition of new functions by gene acquisition or duplication. To understand the constraints imposed by this particular system on virus evolution, we studied a polydnavirus gene family encoding cyteine protease inhibitors of the cystatin superfamily. Results We show that cystatins are the first bracovirus genes proven to be subject to strong positive selection within a host-parasitoid system. A generated three-dimensional model of Cotesia congregata bracovirus cystatin 1 provides a powerful framework to position positively selected residues and reveal that they are concentrated in the vicinity of actives sites which interact with cysteine proteases directly. In addition, phylogenetic analyses reveal two different cystatin forms which evolved under different selective constraints and are characterized by independent adaptive duplication events. Conclusion Positive selection acts to maintain cystatin gene duplications and induces directional divergence presumably to ensure the presence of efficient and adapted cystatin forms. Directional selection has acted on key cystatin active sites, suggesting that cystatins coevolve with their host target. We can strongly suggest that cystatins constitute major virulence

  5. H4octapa-Trastuzumab: Versatile Acyclic Chelate System for 111In and 177Lu Imaging and Therapy

    PubMed Central

    Price, Eric W.; Zeglis, Brian M.; Cawthray, Jacqueline F.; Ramogida, Caterina F.; Ramos, Nicholas

    2013-01-01

    A bifunctional derivative of the versatile acyclic chelator H4octapa, p-SCNBn- H4octapa, has been synthesized for the first time. The chelator was conjugated to the HER2/neu-targeting antibody trastuzumab and labeled in high radiochemical purity and specific activity with the radioisotopes 111In and 177Lu. The in vivo behavior of the resulting radioimmunoconjugates was investigated in mice bearing ovarian cancer xenografts and compared to analogous radioimmunoconjugates employing the ubiquitous chelator DOTA. The H4octapa-trastuzumab conjugates displayed faster radiolabeling kinetics with more reproducible yields under milder conditions (15 min, RT, ~94–95%) than those based on DOTA-trastuzumab (60 min, 37 °C ~50–88%). Further, antibody integrity was better preserved in the 111In- and 177Lu-octapatrastuzumab constructs, with immunoreactive fractions of 0.99 for each compared to 0.93–0.95 for 111In- and 177Lu-DOTA-trastuzumab. These results translated to improved in vivo biodistribution profiles and SPECT imaging results for 111In- and 177Lu-octapa-trastuzumab compared to 111In- and 177Lu-DOTA-trastuzumab, with increased tumor uptake and higher tumor-to-tissue activity ratios. PMID:23901833

  6. Molecular mechanism by which acyclic retinoid induces nuclear localization of transglutaminase 2 in human hepatocellular carcinoma cells

    PubMed Central

    Shrestha, R; Tatsukawa, H; Shrestha, R; Ishibashi, N; Matsuura, T; Kagechika, H; Kose, S; Hitomi, K; Imamoto, N; Kojima, S

    2015-01-01

    Nuclear accumulation of transglutaminase 2 (TG2) is an important step in TG2-dependent cell death. However, the underlying molecular mechanisms for nuclear translocation of TG2 are still poorly understood. In this study, we demonstrated that acyclic retinoid (ACR) induced nuclear accumulation of TG2 in JHH-7 cells, a hepatocellular carcinoma (HCC) leading to their apoptosis. We further demonstrated molecular mechanism in nuclear-cytoplasmic trafficking of TG2 and an effect of ACR on it. We identified a novel 14-amino acid nuclear localization signal (NLS) 466AEKEETGMAMRIRV479 in the ‘C' domain and a leucine-rich nuclear export signal (NES) 657LHMGLHKL664 in the ‘D' domain that allowed TG2 to shuttle between the nuclear and cytosolic milieu. Increased nuclear import of GAPDH myc-HIS fused with the identified NLS was observed, confirming its nuclear import ability. Leptomycin B, an inhibitor of exportin-1 as well as point mutation of all leucine residues to glutamine residues in the NES of TG2 demolished its nuclear export. TG2 formed a trimeric complex with importin-α and importin-β independently from transamidase activity which strongly suggested the involvement of a NLS-based translocation of TG2 to the nucleus. ACR accelerated the formation of the trimeric complex and that may be at least in part responsible for enhanced nuclear localization of TG2 in HCC cells treated with ACR. PMID:26633708

  7. Octahedral rhodium(III) complexes as kinase inhibitors: Control of the relative stereochemistry with acyclic tridentate ligands.

    PubMed

    Mollin, Stefan; Riedel, Radostan; Harms, Klaus; Meggers, Eric

    2015-07-01

    Octahedral metal complexes are attractive structural templates for the design of enzyme inhibitors as has been demonstrated, for example, with the development of metallo-pyridocarbazoles as protein kinase inhibitors. The octahedral coordination sphere provides untapped structural opportunities but at the same time poses the drawback of dealing with a large number of stereoisomers. In order to address this challenge of controlling the relative metal-centered configuration, the synthesis of rhodium(III) pyridocarbazole complexes with facially coordinating acyclic tridentate ligands was investigated. A strategy for the rapid synthesis of such complexes is reported, the diastereoselectivities of these reactions were investigated, the structure of several complexes were determined by X-ray crystallography, the high kinetic stability of such complexes in thiol-containing solutions was demonstrated in (1)H-NMR experiments, and the protein kinase inhibition ability of this class of complexes was confirmed. It can be concluded that the use of multidentate ligands is currently maybe the most practical strategy to avoid a large number of possible stereoisomers in the course of exploiting octahedral coordination spheres as structural templates for the design of bioactive molecules.

  8. Clinical Potential of the Acyclic Nucleoside Phosphonates Cidofovir, Adefovir, and Tenofovir in Treatment of DNA Virus and Retrovirus Infections

    PubMed Central

    De Clercq, Erik

    2003-01-01

    The acyclic nucleoside phosphonates HPMPC (cidofovir), PMEA (adefovir), and PMPA (tenofovir) have proved to be effective in vitro (cell culture systems) and in vivo (animal models and clinical studies) against a wide variety of DNA virus and retrovirus infections: cidofovir against herpesvirus (herpes simplex virus types 1 and 2 varicella-zoster virus, cytomegalovirus [CMV], Epstein-Barr virus, and human herpesviruses 6, 7, and 8), polyomavirus, papillomavirus, adenovirus, and poxvirus (variola virus, cowpox virus, vaccinia virus, molluscum contagiosum virus, and orf virus) infections; adefovir against herpesvirus, hepadnavirus (human hepatitis B virus), and retrovirus (human immunodeficiency virus types 1 [HIV-1] and 2 [HIV-2], simian immunodeficiency virus, and feline immunodeficiency virus) infections; and tenofovir against both hepadnavirus and retrovirus infections. Cidofovir (Vistide) has been officially approved for the treatment of CMV retinitis in AIDS patients, tenofovir disoproxil fumarate (Viread) has been approved for the treatment of HIV infections (i.e., AIDS), and adefovir dipivoxil (Hepsera) has been approved for the treatment of chronic hepatitis B. Nephrotoxicity is the dose-limiting side effect for cidofovir (Vistide) when used intravenously (5 mg/kg); no toxic side effects have been described for adefovir dipivoxil and tenofovir disoproxil fumarate, at the approved doses (Hepsera at 10 mg orally daily and Viread at 300 mg orally daily). PMID:14557287

  9. Direct momentum-resolved observation of one-dimensional confinement of externally doped electrons within a single subnanometer-scale wire.

    PubMed

    Song, Inkyung; Oh, Dong-Hwa; Shin, Ha-Chul; Ahn, Sung-Joon; Moon, Youngkwon; Woo, Sun-Hee; Choi, Hyoung Joon; Park, Chong-Yun; Ahn, Joung Real

    2015-01-14

    Cutting-edge research in the band engineering of nanowires at the ultimate fine scale is related to the minimum scale of nanowire-based devices. The fundamental issue at the subnanometer scale is whether angle-resolved photoemission spectroscopy (ARPES) can be used to directly measure the momentum-resolved electronic structure of a single wire because of the difficulty associated with assembling single wire into an ordered array for such measurements. Here, we demonstrated that the one-dimensional (1D) confinement of electrons, which are transferred from external dopants, within a single subnanometer-scale wire (subnanowire) could be directly measured using ARPES. Convincing evidence of 1D electron confinement was obtained using two different gold subnanowires with characteristic single metallic bands that were alternately and spontaneously ordered on a stepped silicon template, Si(553). Noble metal atoms were adsorbed at room temperature onto the gold subnanowires while the overall structure of the wires was maintained. Only one type of gold subnanowire could be controlled using external noble metal dopants without transforming the metallic band of the other type of gold subnanowires. This result was confirmed by scanning tunnelling microscopy experiments and first-principles calculations. The selective control clearly showed that externally doped electrons could be confined within a single gold subnanowire. This experimental evidence was used to further investigate the effects of the disorder induced by external dopants on a single subnanowire using ARPES.

  10. A mathematical model and computational framework for three-dimensional chondrocyte cell growth in a porous tissue scaffold placed inside a bi-directional flow perfusion bioreactor.

    PubMed

    Shakhawath Hossain, Md; Bergstrom, D J; Chen, X B

    2015-12-01

    The in vitro chondrocyte cell culture for cartilage tissue regeneration in a perfusion bioreactor is a complex process. Mathematical modeling and computational simulation can provide important insights into the culture process, which would be helpful for selecting culture conditions to improve the quality of the developed tissue constructs. However, simulation of the cell culture process is a challenging task due to the complicated interaction between the cells and local fluid flow and nutrient transport inside the complex porous scaffolds. In this study, a mathematical model and computational framework has been developed to simulate the three-dimensional (3D) cell growth in a porous scaffold placed inside a bi-directional flow perfusion bioreactor. The model was developed by taking into account the two-way coupling between the cell growth and local flow field and associated glucose concentration, and then used to perform a resolved-scale simulation based on the lattice Boltzmann method (LBM). The simulation predicts the local shear stress, glucose concentration, and 3D cell growth inside the porous scaffold for a period of 30 days of cell culture. The predicted cell growth rate was in good overall agreement with the experimental results available in the literature. This study demonstrates that the bi-directional flow perfusion culture system can enhance the homogeneity of the cell growth inside the scaffold. The model and computational framework developed is capable of providing significant insight into the culture process, thus providing a powerful tool for the design and optimization of the cell culture process.

  11. Composition of Eucalyptus camaldulensis volatiles using direct thermal desorption coupled with comprehensive two-dimensional gas chromatography-time-of-flight-mass spectrometry.

    PubMed

    Ozel, Mustafa Z; Gögüs, Fahrettin; Lewis, Alastair C

    2008-02-01

    The direct qualification and quantitation of the volatile organic components of four Eucalyptus camaldulensis fruit samples, obtained from different geographical areas in Turkey, is studied using a direct thermal desorption (DTD) technique coupled with comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry. It is found that the E. camaldulensis sample from Adrasan gave a slightly higher oil yield (1.18%) than the others. The number of components quantitatively identified from Adrasan, Belek, Kuyucak, and Cesme were 46, 54, 55, and 59, respectively. The main compounds found in the volatile oils were: aromadendrene (6.45-15.02%), eucalyptol (0.17-12.61%), gamma-gurjunene (8.40-10.08%), terpinolen (1.98-8.39%), spathulenol (1.42-8.34%), alpha-pinene (0.85-6.81%), ledene (0.94-6.72%), and longifonene (0.07-6.22%). The composition of the volatiles desorbed from samples from all four different areas varied qualitatively and quantitatively. All identified compounds were quantitated using total ion chromatogram peak areas. DTD is a good method for qualitative and/or quantitative analysis of complex mixtures, and in particular for quantitative analysis of plant samples, which can yield data without the traditional obligation for costly and time consuming extraction techniques.

  12. Direct identification of rituximab main isoforms and subunit analysis by online selective comprehensive two-dimensional liquid chromatography-mass spectrometry.

    PubMed

    Stoll, Dwight R; Harmes, David C; Danforth, John; Wagner, Elsa; Guillarme, Davy; Fekete, Szabolcs; Beck, Alain

    2015-08-18

    In this proof-of-concept study, rituximab, which is a reference therapeutic monoclonal antibody (mAb), was characterized through the implementation of online, selective comprehensive two-dimensional liquid chromatography (sLC×LC) coupled with mass spectrometry (MS), using a middle-up approach. In this setup, cation exchange chromatography (CEX) and reverse-phase liquid chromatography (RPLC) were used as the first and second separation dimensions, respectively. As illustrated in this work, the combination of these two chromatographic modes allows a direct assignment of the identities of CEX peaks, using data from the TOF/MS detector, because RPLC is directly compatible with MS detection, whereas CEX is not. In addition, the resolving power of CEX is often considered to be limited; therefore, this 2D approach provides an improvement in peak capacity and resolution when high-performance second-dimension separations are used, instead of simply using the second-dimension separation as a desalting step. This was particularly relevant when separating rituximab fragments of medium size (25 kDa), whereas most of the resolution was provided by CEX in the case of intact rituximab samples. The analysis of a commercial rituximab sample shows that online sLC×LC-TOF-MS can be used to rapidly characterize mAb samples, yielding the identification of numerous variants, based on the analysis of intact, partially digested, and digested/reduced mAb samples.

  13. A direct comparison of a depth-dependent Radiation stress formulation and a Vortex force formulation within a three-dimensional coastal ocean model

    NASA Astrophysics Data System (ADS)

    Moghimi, Saeed; Klingbeil, Knut; Gräwe, Ulf; Burchard, Hans

    2013-10-01

    In this study a model system consisting of the three-dimensional General Estuarine Transport Model (GETM) and the third generation wind wave model SWAN was developed. Both models were coupled in two-way mode. The effects of waves were included into the ocean model by implementing the depth-dependent Radiation stress formulation (RS) of Mellor (2011a) and the Vortex force formulation (VF) presented by Bennis et al. (2011). Thus, the developed model system offers a direct comparison of these two formulations. The enhancement of the vertical eddy viscosity due to the energy transfer by white capping and breaking waves was taken into account by means of injecting turbulent kinetic energy at the surface. Wave-current interaction inside the bottom boundary layer was considered as well. The implementation of both wave-averaged formulations was validated against three flume experiments. One of these experiments with long period surface waves (swell), had not been evaluated before. The validation showed the capability of the model system to reproduce the three-dimensional interaction of waves and currents. For the flume test cases the wave-induced water level changes (wave set-up and set-down) and the corresponding depth-integrated wave-averaged velocities were similar for RS and VF. Both formulations produced comparable velocity profiles for short period waves. However, for large period waves, VF overestimated the wave set-down near the main breaking points and RS showed artificial offshore-directed transport at the surface where wave shoaling was taking place. Finally the validated model system was applied to a realistic barred beach scenario. For RS and VF the resulting velocity profiles were similar after being significantly improved by a roller evolution method. Both wave-averaged formulations generally provided similar results, but some shortcomings were revealed. Although VF partly showed significant deviations from the measurements, its results were still physically

  14. Synthesis, spectroscopic and biological activities studies of acyclic and macrocyclic mono and binuclear metal complexes containing a hard-soft Schiff base

    NASA Astrophysics Data System (ADS)

    Abou-Hussein, Azza A. A.; Linert, Wolfgang

    Mono- and bi-nuclear acyclic and macrocyclic complexes with hard-soft Schiff base, H2L, ligand derived from the reaction of 4,6-diacetylresorcinol and thiocabohydrazide, in the molar ratio 1:2 have been prepared. The H2L ligand reacts with Co(II), Ni(II), Cu(II), Zn(II), Mn(II) and UO2(VI) nitrates, VO(IV) sulfate and Ru(III) chloride to get acyclic binuclear complexes except for VO(IV) and Ru(III) which gave acyclic mono-nuclear complexes. Reaction of the acyclic mono-nuclear VO(IV) and Ru(III) complexes with 4,6-diacetylresorcinol afforded the corresponding macrocyclic mono-nuclear VO(IV) and Ru(IIII) complexes. Template reactions of the 4,6-diacetylresorcinol and thiocarbohydrazide with either VO(IV) or Ru(III) salts afforded the macrocyclic binuclear VO(IV) and Ru(III) complexes. The Schiff base, H2L, ligand acts as dibasic with two NSO-tridentate sites and can coordinate with two metal ions to form binuclear complexes after the deprotonation of the hydrogen atoms of the phenolic groups in all the complexes, except in the case of the acyclic mononuclear Ru(III) and VO(IV) complexes, where the Schiff base behaves as neutral tetradentate chelate with N2S2 donor atoms. The ligands and the metal complexes were characterized by elemental analysis, IR, UV-vis 1H-NMR, thermal gravimetric analysis (TGA) and ESR, as well as the measurements of conductivity and magnetic moments at room temperature. Electronic spectra and magnetic moments of the complexes indicate the geometries of the metal centers are either tetrahedral, square planar or octahedral. Kinetic and thermodynamic parameters were calculated using Coats-Redfern equation, for the different thermal decomposition steps of the complexes. The ligands and the metal complexes were screened for their antimicrobial activity against Staphylococcus aureus as Gram-positive bacteria, and Pseudomonas fluorescens as Gram-negative bacteria in addition to Fusarium oxysporum fungus. Most of the complexes exhibit mild

  15. Cationic lipids bearing succinic-based, acyclic and macrocyclic hydrophobic domains: Synthetic studies and in vitro gene transfer.

    PubMed

    Jubeli, Emile; Maginty, Amanda B; Khalique, Nada Abdul; Raju, Liji; Nicholson, David G; Larsen, Helge; Pungente, Michael D; Goldring, William P D

    2017-01-05

    In this communication we describe the construction of four succinic-based cationic lipids, their formulation with plasmid DNA (pDNA), and an evaluation of their in vitro gene delivery into Chinese hamster ovarian (CHO-K1) cells. The cationic lipids employed in this work possess either a dimethylamine or trimethylamine headgroup, and a macrocyclic or an acyclic hydrophobic domain composed of, or derived from two 16-atom, succinic-based acyl chains. The synthesized lipids and a co-lipid of neutral charge, either cholesterol or 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (DOPE), were formulated in an overall 3:2 cationic-to-neutral lipid molar ratio, then complexed with plasmid DNA (pDNA). The relative transfection performance was evaluated via a comparison between matched versus mismatched formulations defined by the rigidity relationship between the lipids employed. Gel electrophoresis was used to characterize the binding of the lipid formulations with plasmid DNA and the relative degree of plasmid degradation using a DNase I degradation assay. Small angle X-ray diffraction (SAXD) was employed to characterize the packing morphology of the lipid-DNA complexes. In general, the succinic unit embedded within the hydrophobic domain of the cationic lipids was found to improve lipid hydration. The transfection assays revealed a general trend in which mismatched formulations that employed a rigid lipid combined with a non-rigid (or flexible) lipid, outperformed the matched formulations. The results from this work suggest that the design of the cationic lipid structure and the composition of the lipoplex formulation play key roles in governing the transfection performance of nonviral gene delivery agents.

  16. New acyclic bis phenylpropanoid and neolignans, from Myristica fragrans Houtt., exhibiting PARP-1 and NF-κB inhibitory effects.

    PubMed

    Muñoz Acuña, Ulyana; Carcache, Peter J Blanco; Matthew, Susan; Carcache de Blanco, Esperanza J

    2016-07-01

    The bioassay-guided fractionation of the aril of Myristica fragrans (mace spice) yielded five phenolic compounds, one new acyclic bis phenylpropanoid (1) and four previously known phenolic compounds: compounds (1) (S) 1-(3,4,5-trimethoxyphenyl)-2-(3-methoxy-5-(prop-1-yl) phenyl)-propan-1-ol, (2) benzenemethanol; α-[1-[2,6-dimethoxy-4-(2-propen-1-yl)phenoxy]ethyl]-3,4-dimethoxy-1-acetate, (3) odoratisol A, phenol, 4-[(2S,3S)-2,3-dihydro-7-methoxy-3-methyl-5-(1E)-1-propenyl-2-benzofuranyl]-2,6-dimethoxy, (4) 1,3-benzodioxate-5-methanol,α-[1-[2,6-dimethoxy-4-(2-propenyl)phenoxy]ethyl]-acetate, (5) licarin C; benzofuran,2,3-dihydro-7-methoxy-3-methyl-5-(1E)-1-yl-2-(3,4,5-trimethoxyphenyl). An NMR tube Mosher ester reaction was used in an approach to characterize and determine the assignment of the absolute configuration of the new isolated chiral alcohol (1). The PARP-1 inhibitory activity was evaluated for compound (1) (IC50=3.04μM), compound (2) (IC50=0.001μM), compound (4) (IC50=22.07μM) and compound (5) (IC50=3.11μM). Furthermore, the isolated secondary metabolites were tested for NF-κB and K-Ras inhibitory activities. When tested in the p65 assay, compounds (2) and (4) displayed potent NF-κB inhibition (IC50=1.5 nM and 3.4nM, respectively).

  17. Acyclic Identification of Aptamers for Human alpha-Thrombin Using Over-Represented Libraries and Deep Sequencing

    PubMed Central

    Kupakuwana, Gillian V.; Crill, James E.; McPike, Mark P.; Borer, Philip N.

    2011-01-01

    Background Aptamers are oligonucleotides that bind proteins and other targets with high affinity and selectivity. Twenty years ago elements of natural selection were adapted to in vitro selection in order to distinguish aptamers among randomized sequence libraries. The primary bottleneck in traditional aptamer discovery is multiple cycles of in vitro evolution. Methodology/Principal Findings We show that over-representation of sequences in aptamer libraries and deep sequencing enables acyclic identification of aptamers. We demonstrated this by isolating a known family of aptamers for human α-thrombin. Aptamers were found within a library containing an average of 56,000 copies of each possible randomized 15mer segment. The high affinity sequences were counted many times above the background in 2–6 million reads. Clustering analysis of sequences with more than 10 counts distinguished two sequence motifs with candidates at high abundance. Motif I contained the previously observed consensus 15mer, Thb1 (46,000 counts), and related variants with mostly G/T substitutions; secondary analysis showed that affinity for thrombin correlated with abundance (Kd = 12 nM for Thb1). The signal-to-noise ratio for this experiment was roughly 10,000∶1 for Thb1. Motif II was unrelated to Thb1 with the leading candidate (29,000 counts) being a novel aptamer against hexose sugars in the storage and elution buffers for Concanavilin A (Kd = 0.5 µM for α-methyl-mannoside); ConA was used to immobilize α-thrombin. Conclusions/Significance Over-representation together with deep sequencing can dramatically shorten the discovery process, distinguish aptamers having a wide range of affinity for the target, allow an exhaustive search of the sequence space within a simplified library, reduce the quantity of the target required, eliminate cycling artifacts, and should allow multiplexing of sequencing experiments and targets. PMID:21625587

  18. Estimation of apparent binding constant of complexes of selected acyclic nucleoside phosphonates with β-cyclodextrin by affinity capillary electrophoresis.

    PubMed

    Šolínová, Veronika; Mikysková, Hana; Kaiser, Martin Maxmilián; Janeba, Zlatko; Holý, Antonín; Kašička, Václav

    2016-01-01

    Affinity capillary electrophoresis (ACE) has been applied to estimation of apparent binding constant of complexes of (R,S)-enantiomers of selected acyclic nucleoside phosphonates (ANPs) with chiral selector β-cyclodextrin (βCD) in aqueous alkaline medium. The noncovalent interactions of five pairs of (R,S)-enantiomers of ANPs-based antiviral drugs and their derivatives with βCD were investigated in the background electrolyte (BGE) composed of 35 or 50 mM sodium tetraborate, pH 10.0, and containing variable concentration (0-25 mM) of βCD. The apparent binding constants of the complexes of (R,S)-enantiomers of ANPs with βCD were estimated from the dependence of effective electrophoretic mobilities of (R,S)-enantiomers of ANPs (measured simultaneously by ACE at constant reference temperature 25°C inside the capillary) on the concentration of βCD in the BGE using different nonlinear and linear calculation methodologies. Nonlinear regression analysis provided more precise and accurate values of the binding constants and a higher correlation coefficient as compared to the regression analysis of the three linearized plots of the effective mobility dependence on βCD concentration in the BGE. The complexes of (R,S)-enantiomers of ANPs with βCD have been found to be relatively weak - their apparent binding constants determined by the nonlinear regression analysis were in the range 13.3-46.4 L/mol whereas the values from the linearized plots spanned the interval 12.3-55.2 L/mol.

  19. Anthropometric precision and accuracy of digital three-dimensional photogrammetry: comparing the Genex and 3dMD imaging systems with one another and with direct anthropometry.

    PubMed

    Weinberg, Seth M; Naidoo, Sybill; Govier, Daniel P; Martin, Rick A; Kane, Alex A; Marazita, Mary L

    2006-05-01

    A variety of commercially available three-dimensional (3D) surface imaging systems are currently in use by craniofacial specialists. Little is known, however, about how measurement data generated from alternative 3D systems compare, specifically in terms of accuracy and precision. The purpose of this study was to compare anthropometric measurements obtained by way of two different digital 3D photogrammetry systems (Genex and 3dMD) as well as direct anthropometry and to evaluate intraobserver precision across these three methods. On a sample of 18 mannequin heads, 12 linear distances were measured twice by each method. A two-factor repeated measures analysis of variance was used to test simultaneously for mean differences in precision across methods. Additional descriptive statistics (e.g., technical error of measurement [TEM]) were used to quantify measurement error magnitude. Statistically significant (P < 0.05) mean differences were observed across methods for nine anthropometric variables; however, the magnitude of these differences was consistently at the submillimeter level. No significant differences were noted for precision. Moreover, the magnitude of imprecision was determined to be very small, with TEM scores well under 1 mm, and intraclass correlation coefficients ranging from 0.98 to 1. Results indicate that overall mean differences across these three methods were small enough to be of little practical importance. In terms of intraobserver precision, all methods fared equally well. This study is the first attempt to simultaneously compare 3D surface imaging systems directly with one another and with traditional anthropometry. Results suggest that craniofacial surface data obtained by way of alternative 3D photogrammetric systems can be combined or compared statistically.

  20. Three-Dimensional CFD Simulation Coupled with Thermal Contraction in Direct-Chill Casting of A390 Aluminum Alloy Hollow Billet

    NASA Astrophysics Data System (ADS)

    Zuo, Kesheng; Zhang, Haitao; Qin, Ke; Cui, Jianzhong; Chen, Qingzhang

    2017-02-01

    A three-dimensional CFD model coupled with melt flow, heat transfer, and thermal contraction was developed to simulate the direct-chill (DC) casting process of A390 alloy hollow billet with a cross-section size of Φ164 mm/Φ60 mm. This study considered the effects of contact height and air gap width between the core and the hollow billet, which dominated the heat transfer at the inner wall of the hollow billet. The effects of core taper angle, relative vertical position of core in the mold, and casting speed on the steady-state temperature distribution and formability of hollow billet were investigated. According to the criterion used in this study, the optimal core taper angle is 3 deg for DC casting of A390 alloy hollow billet. With the optimal core taper angle, the A390 alloy hollow billet can be cast successfully regardless of the variation of the relative vertical position of core in the mold and casting speed. The coupled model developed in this study can be applied to optimize the core taper angle and study the effects of casting parameters in various dimensions of hollow billet.

  1. Three-dimensional multiscale analysis of degradation of nano- and micro-structure in direct methanol fuel cell electrodes after methanol starvation

    NASA Astrophysics Data System (ADS)

    Netzeband, Christian; Arlt, Tobias; Wippermann, Klaus; Lehnert, Werner; Manke, Ingo

    2016-09-01

    This study investigates the ageing effects on the microstructure of the anode catalyst layer of direct methanol fuel cells (DMFC) after complete methanol starvation. To this end the samples of two methanol-depleted membrane electrode assemblies (MEA) have been compared with a pristine reference sample. A three-dimensional characterization of the anode catalyst layer (ACL) structure on a nanometer scale has been conducted by focused ion beam (FIB)/scanning electron microscope (SEM) tomography. The FIB/SEM tomography allows for a detailed analysis of statistic parameters of micro-structured materials, such as porosity, tortuosity and pore size distributions. Furthermore, the SEM images displayed a high material contrast between the heavy catalyst metals (Pt/Ru) and the relatively light carbon support, which made it possible to map the catalyst distribution in the acquired FIB/SEM tomographies. Additional synchrotron X-ray tomographies have been conducted in order to obtain an overview of the structural changes of all the components of a section of the MEAs after methanol depletion.

  2. Chemometrics-assisted effect-directed analysis of crude and refined oil using comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry.

    PubMed

    Radović, Jagoš R; Thomas, Kevin V; Parastar, Hadi; Díez, Sergi; Tauler, Romà; Bayona, Josep M

    2014-01-01

    An effect-directed analysis (EDA) of fresh and artificially weathered (evaporated, photooxidized) samples of North Sea crude oil and residual heavy fuel oil is presented. Aliphatic, aromatic, and polar oil fractions were tested for the presence of aryl hydrocarbon receptor (AhR) agonist and androgen receptor (AR) antagonist, demonstrating for the first time the AR antagonist effects in the aromatic and, to a lesser extent, polar fractions. An extension of the typical EDA strategy to include an N-way partial least-squares (N-PLS) model capable of relating the comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC × GC-TOFMS) data set to the bioassay data obtained from normal-phase LC fractions is proposed. The predicted AhR binding effects in the fresh and artificially weathered aromatic oil fractions facilitated the identification of alkyl-substituted three- and four-ring aromatic systems in the active fractions through the weighting of their contributions to the observed effects. A N-PLS chemometric model is demonstrated as a potentially useful strategy for future EDA studies that can streamline the compound identification process and provide additional reduction of samples' complexity. The AhR binding effects of the suspected compounds predicted by N-PLS and identified by GC × GC-TOFMS were confirmed using quantitative structure-activity relationship (QSAR) estimates.

  3. The Usefulness of Three-Dimensional Angiography with a Flat Panel Detector of Direct Conversion Type in a Transcatheter Arterial Chemoembolization Procedure for Hepatocellular Carcinoma: Initial Experience

    SciTech Connect

    Kakeda, Shingo Korogi, Yukunori; Hatakeyama, Yoshihisa; Ohnari, Norihiro; Oda, Nobuhiro; Nishino, Kazuyoshi; Miyamoto, Wataru

    2008-03-15

    The purpose of this study was to assess the usefulness of a three-dimensional (3D) angiography system using a flat panel detector of direct conversion type in treatments with subsegmental transcatheter arterial chemoembolization (TACE) for hepatocellular carcinomas (HCCs). Thirty-six consecutive patients who underwent hepatic angiography were prospectively examined. First, two radiologists evaluated the degree of visualization of the peripheral branches of the hepatic arteries on 3D digital subtraction angiography (DSA). Then the radiologists evaluated the visualization of tumor staining and feeding arteries in 25 patients (30 HCCs) who underwent subsegmental TACE. The two radiologists who performed the TACE assessed whether the additional information provided by 3D DSA was useful for treatments. In 34 (94.4%) of 36 patients, the subsegmental branches of the hepatic arteries were sufficiently visualized. The feeding arteries of HCCs were sufficiently visualized in 28 (93%) of 30 HCCs, whereas tumor stains were sufficiently visualized in 18 (60%). Maximum intensity projection images were significantly superior to volume recording images for visualization of the tumor staining and feeding arteries of HCCs. In 27 (90%) of 30 HCCs, 3D DSA provided additional useful information for subsegmental TACE. The high-quality 3D DSA with flat panel detector angiography system provided a precise vascular road map, which was useful for performing subsegmental TACE .of HCCs.

  4. Imaging analysis of the gliadin direct effect on tight junctions in an in vitro three-dimensional Lovo cell line culture system.

    PubMed

    Elli, Luca; Roncoroni, Leda; Doneda, Luisa; Ciulla, Michele M; Colombo, Roberto; Braidotti, Paola; Bonura, Antonella; Bardella, Maria Teresa

    2011-02-01

    Tight junctions play a pivotal role in maintaining the integrity of the intestinal barrier. Their alteration is involved in the pathogenesis of celiac disease. Our aim was to investigate the gliadin effect on the tight junction proteins in an in vitro three-dimensional cell culture model through imaging analyses. Lovo multicellular spheroids were treated with enzymatically digested (PT) gliadin 500 μg/mL and its effect on actin, occludin and zonula occludens-1, was evaluated by means of confocal laser microscopy, transmission electron microscopy and image capture analysis. Compared to untreated spheroids, PT-gliadin-treated ones showed enlargement of the paracellular spaces (9.0±6.9 vs. 6.2±1.7 nm, p<0.05) at transmission electron microscopy and tight junction protein alterations at confocal microscopy and image analyses. In untreated cell cultures thickness of the fluorescence contour of actin, zonula occludens-1 and occludin appeared significantly larger and more intense than in the treated ones. In occludin planimetric analysis the lengths of the integral uninterrupted cellular contour appeared longer in untreated than in PT-gliadin treated spheroids (71.8±42.8 vs. 23.4±25.9 μm, p<0.01). Our data demonstrated that tight junction proteins are directly damaged by gliadin as shown by means of quantitative imaging analysis.

  5. The use of a temperature-responsive column for the direct analysis of drugs in serum by two-dimensional heart-cutting liquid chromatography.

    PubMed

    Mikuma, Toshiyasu; Uchida, Ryo; Kajiya, Mizuki; Hiruta, Yuki; Kanazawa, Hideko

    2017-02-01

    A novel pretreatment method, which was performed using a two-dimensional high-performance liquid chromatography (2D-HPLC) system, was proposed for the direct analysis of drugs in human serum. A temperature-responsive column was used as a pretreatment column. The stationary phase of the temperature-responsive column exhibits temperature-regulated hydrophilic/hydrophobic characteristics. Controlling the ionic strength of the eluent enables human serum albumin (HSA) to pass through the column without retention. When serum samples containing barbiturates or benzodiazepines were injected into the temperature-responsive column using 10 mM of ammonium acetate (pH 6.5) as the mobile phase and in the temperature range of 10-40 °C, HSA was eluted from the column near the dead time, followed by the individual drugs. When the column temperature was changed, the retention times of the drugs were altered owing to surface property changes within the pretreatment column. These closely eluted compounds were subsequently introduced into the analytical column using a column-switching valve, with a minimal gap time to avoid foreign substance contamination. This new 2D-HPLC method afforded high-quality chromatograms of multiple drugs without unwanted peaks from foreign substances. The present technique could be an attractive choice in selecting the analytical method for drug analysis.

  6. Dynamic pictures of membrane proteins in two-dimensional crystal, lipid bilayer and detergent as revealed by site-directed solid-state 13C NMR.

    PubMed

    Saitô, Hazime

    2004-11-01

    We have compared site-directed 13C solid-state NMR spectra of [3-13C]Ala- and/or [1-13C]Val-labeled membrane proteins, including bacteriorhodopsin (bR), pharaonis phoborhodopin (ppR), its cognate transducer (pHtrII) and Escherichia coli diacylglycerol kinase (DGK), in two-dimensional (2D) crystal, lipid bilayers, and detergent. Restricted fluctuation motions of these membrane proteins due to oligomerization of bR by specific protein-protein interactions in the 2D crystalline lattice or protein complex between ppR and pHtrII provide the most favorable environment to yield well-resolved, fully visible 13C NMR signals for [3-13C]Ala-labeled proteins. In contrast, several signals from such membrane proteins were broadened or lost owing to interference of inherent fluctuation frequencies (10(4)-10(5)Hz) with frequency of either proton decoupling or magic angle spinning, if their 13C NMR spectra were recorded as a monomer in lipid bilayers at ambient temperature. The presence of such protein dynamics is essential for the respective proteins to achieve their own biological functions. Finally, spectral broadening found for bR and DGK in detergents were discussed.

  7. Identification of new proteins in follicular fluid from mature human follicles by direct sample rehydration method of two-dimensional polyacrylamide gel electrophoresis.

    PubMed

    Lee, Han-Chul; Lee, Sang-Wha; Lee, Kyo Won; Lee, Sook-Whan; Cha, Kwang-Yul; Kim, Kye Hyun; Lee, Suman

    2005-06-01

    Human follicular fluid (HFF) includes various biologically active proteins which can affect follicle growth and oocyte fertilization. Thus far, these proteins from mature follicles in human follicular fluid have been poorly characterized. Here, two-dimensional polyacrylamide gel electrophoresis (2-DE) with matrix-assisted laser desorption/ionization-mass spectrometry (MALDI-MS) was used to identify new proteins in HFF. Mature follicular fluids were obtained from five females after oocyte collection during in vitro fertilization (IVF). We directly rehydrated HFF samples, obtained high-resolution 2-DE maps, and processed them for 2-DE and MALDI-MS. One hundred eighty spots were detected and 10 of these spots were identified. By the 2-DE database, six of them had been reported, as proteins already existing in HFF. Hormone sensitive lipase (HSL), Unnamed protein product 1 (UPP1), Unnamed protein product 2 (UPP2), and apolipoprotein A-IV precursor were newly detected. HSL and apolipoprotein A-IV participate in lipid metabolism. UPP1 has a homology with selenocysteine lyase. We found by RT-PCR that these genes are expressed from human primary granulosa cells. The proteins identified here may emerge as potential candidates for specific functions during folliculogenesis, hormone secretion regulation, or oocyte maturation. Further functional analysis of these proteins is necessitated to determine their biological implications.

  8. A Stock Market Forecasting Model Combining Two-Directional Two-Dimensional Principal Component Analysis and Radial Basis Function Neural Network

    PubMed Central

    Guo, Zhiqiang; Wang, Huaiqing; Yang, Jie; Miller, David J.

    2015-01-01

    In this paper, we propose and implement a hybrid model combining two-directional two-dimensional principal component analysis ((2D)2PCA) and a Radial Basis Function Neural Network (RBFNN) to forecast stock market behavior. First, 36 stock market technical variables are selected as the input features, and a sliding window is used to obtain the input data of the model. Next, (2D)2PCA is utilized to reduce the dimension of the data and extract its intrinsic features. Finally, an RBFNN accepts the data processed by (2D)2PCA to forecast the next day's stock price or movement. The proposed model is used on the Shanghai stock market index, and the experiments show that the model achieves a good level of fitness. The proposed model is then compared with one that uses the traditional dimension reduction method principal component analysis (PCA) and independent component analysis (ICA). The empirical results show that the proposed model outperforms the PCA-based model, as well as alternative models based on ICA and on the multilayer perceptron. PMID:25849483

  9. A stock market forecasting model combining two-directional two-dimensional principal component analysis and radial basis function neural network.

    PubMed

    Guo, Zhiqiang; Wang, Huaiqing; Yang, Jie; Miller, David J

    2015-01-01

    In this paper, we propose and implement a hybrid model combining two-directional two-dimensional principal component analysis ((2D)2PCA) and a Radial Basis Function Neural Network (RBFNN) to forecast stock market behavior. First, 36 stock market technical variables are selected as the input features, and a sliding window is used to obtain the input data of the model. Next, (2D)2PCA is utilized to reduce the dimension of the data and extract its intrinsic features. Finally, an RBFNN accepts the data processed by (2D)2PCA to forecast the next day's stock price or movement. The proposed model is used on the Shanghai stock market index, and the experiments show that the model achieves a good level of fitness. The proposed model is then compared with one that uses the traditional dimension reduction method principal component analysis (PCA) and independent component analysis (ICA). The empirical results show that the proposed model outperforms the PCA-based model, as well as alternative models based on ICA and on the multilayer perceptron.

  10. Three-dimensional structure, binding, and spectroscopic characteristics of the monoclonal antibody 43.1 directed to the carboxyphenyl moiety of fluorescein.

    PubMed

    Gayda, Susan; Longenecker, Kenton L; Judge, Russell A; Swift, Kerry M; Manoj, Sharmila; Linthicum, D Scott; Tetin, Sergey Y

    2016-04-01

    Unlike other known anti-fluorescein antibodies, the monoclonal antibody 43.1 is directed toward the fluorescein's carboxyl phenyl moiety. It demonstrates a very high affinity (KD ∼ 70 pM) and a fast association rate (kon ∼ 2 × 10(7) M(-1 ) s(-1) ). The three-dimensional structure of the Fab 43.1-fluorescein complex was resolved at 2.4 Å resolution. The antibody binding site is exclusively assembled by the CDR loops. It is comprised of a 14 Å groove-shaped entrance leading to a 9 Å by 7 Å binding pocket. The highly polar binding pocket complementary encloses the fluorescein's carboxyphenyl moiety and tightly fixes it by multiple hydrogen bonds. The fluorescein's xanthene ring is embedded in the more hydrophobic groove and stacked between the side chains of Tyr37L and of Arg99H providing conditions for an excited state electron transfer process. In comparison to fluorescein, the absorption spectrum of the complex in the visible region is shifted to the "red" by 23 nm. The complex demonstrates a very weak fluorescence (Φc  = 0.0018) with two short lifetime components: 0.03 ns (47%) and 0.8 ns (24%), which reflects a 99.8% fluorescein emission quenching effect upon complex formation. The antibody 43.1 binds fluorescein with remarkable affinity, fast association rate, and strongly quenches its emission. Therefore, it may present a practical interest in applications such as molecular sensors and switches.

  11. Hybrid one-dimensional nanostructures: one-pot preparation of nanoparticle chains via directed self-assembly of in situ synthesized discrete Au nanoparticles.

    PubMed

    Walter, Marie V; Cheval, Nicolas; Liszka, Olimpia; Malkoch, Michael; Fahmi, Amir

    2012-04-10

    The fabrication of well-defined one-dimensional (1D) arrays is becoming a challenge for the development of the next generation of advanced nanodevices. Herein, a simple concept is proposed for the in situ synthesis and self-assembly of gold nanoparticles (AuNPs) into 1D arrays via a one-step process. The results demonstrated the formation of nanoparticle chains (NPC) with high aspect ratio based on discrete Au nanoparticles stabilized by short thiol ligands. A model was proposed to explain the self-assembly based on the investigation of several parameters such as pH, solvent, temperature, and nature of the ligand on the 1D assembly formation. Hydrogen bonding was identified as a key factor to direct the self-assembly of the hybrid organic-inorganic nanomaterials into the well-defined 1D nanostructures. This simple and cost-effective concept could potentially be extended to the fabrication of a variety of hybrid 1D nanostructures possessing unique physical properties leading to a wide range of applications including catalysis, bionanotechnology, nanoelectronics, and photonics.

  12. Et3B-mediated and palladium-catalyzed direct allylation of β-dicarbonyl compounds with Morita–Baylis–Hillman alcohols

    PubMed Central

    Abidi, Ahlem; Oueslati, Yosra

    2016-01-01

    A practical and efficient palladium-catalyzed direct allylation of β-dicarbonyl compounds with both cyclic and acyclic Morita–Baylis–Hillman (MBH) alcohols, using Et3B as a Lewis acid promoter, is described herein. A wide range of the corresponding functionalized allylated derivatives have been obtained in good yields and with high selectivity. PMID:28144308

  13. Et3B-mediated and palladium-catalyzed direct allylation of β-dicarbonyl compounds with Morita-Baylis-Hillman alcohols.

    PubMed

    Abidi, Ahlem; Oueslati, Yosra; Rezgui, Farhat

    2016-01-01

    A practical and efficient palladium-catalyzed direct allylation of β-dicarbonyl compounds with both cyclic and acyclic Morita-Baylis-Hillman (MBH) alcohols, using Et3B as a Lewis acid promoter, is described herein. A wide range of the corresponding functionalized allylated derivatives have been obtained in good yields and with high selectivity.

  14. Integrating Remote Sensing Data with Directional Two-Dimensional Wavelet Analysis and Open Geospatial Techniques for Efficient Disaster Monitoring and Management

    PubMed Central

    Lin, Yun-Bin; Lin, Yu-Pin; Deng, Dong-Po; Chen, Kuan-Wei

    2008-01-01

    In Taiwan, earthquakes have long been recognized as a major cause of landslides that are wide spread by floods brought by typhoons followed. Distinguishing between landslide spatial patterns in different disturbance regimes is fundamental for disaster monitoring, management, and land-cover restoration. To circumscribe landslides, this study adopts the normalized difference vegetation index (NDVI), which can be determined by simply applying mathematical operations of near-infrared and visible-red spectral data immediately after remotely sensed data is acquired. In real-time disaster monitoring, the NDVI is more effective than using land-cover classifications generated from remotely sensed data as land-cover classification tasks are extremely time consuming. Directional two-dimensional (2D) wavelet analysis has an advantage over traditional spectrum analysis in that it determines localized variations along a specific direction when identifying dominant modes of change, and where those modes are located in multi-temporal remotely sensed images. Open geospatial techniques comprise a series of solutions developed based on Open Geospatial Consortium specifications that can be applied to encode data for interoperability and develop an open geospatial service for sharing data. This study presents a novel approach and framework that uses directional 2D wavelet analysis of real-time NDVI images to effectively identify landslide patterns and share resulting patterns via open geospatial techniques. As a case study, this study analyzed NDVI images derived from SPOT HRV images before and after the ChiChi earthquake (7.3 on the Richter scale) that hit the Chenyulan basin in Taiwan, as well as images after two large typhoons (xangsane and Toraji) to delineate the spatial patterns of landslides caused by major disturbances. Disturbed spatial patterns of landslides that followed these events were successfully delineated using 2D wavelet analysis, and results of pattern recognitions

  15. Quaternary Stereogenic Centers through Enantioselective Heck Arylation of Acyclic Olefins with Aryldiazonium Salts: Application in a Concise Synthesis of (R)-Verapamil.

    PubMed

    Oliveira, Caio C; Pfaltz, Andreas; Correia, Carlos Roque Duarte

    2015-11-16

    We describe herein a highly regio- and enantioselective Pd-catalyzed Heck arylation of unactivated trisubstituted acyclic olefins to provide all-carbon quaternary stereogenic centers. Chiral N,N ligands of the pyrimidine- and pyrazino-oxazoline class were developed for that purpose, providing the desired products in good to high yields with enantiomeric ratios up to >99:1. Both linear and branched substituents on the olefins were well-tolerated. The potential of this new method is demonstrated by the straightforward synthesis of several O-methyl lactols and lactones containing quaternary stereocenters, together with a concise enantioselective total synthesis of the calcium channel blocker verapamil.

  16. Subsurface evaluation of the west parking lot and landfill 3 areas of Air Force Plant 4, Fort Worth, Texas, using two-dimensional direct-current resistivity profiling

    USGS Publications Warehouse

    Braun, Christopher L.; Jones, Sonya A.

    2002-01-01

    During September 1999, the U.S. Geological Survey made 10 two-dimensional direct-current resistivity profile surveys in the west parking lot and landfill 3 areas of Air Force Plant 4, Fort Worth, Texas, to identify subsurface areas of anomalously high or low resistivity that could indicate potential contamination, contaminant pathways, or anthropogenic structures. Six of the 10 surveys (transects) were in the west parking lot. Each of the inverted sections of these transects had anomalously high resistivities in the terrace alluvium/fill (the surficial subsurface layer) that probably were caused by highly resistive fill material. In addition, each of these transects had anomalously low resistivities in the Walnut Formation (a bedrock layer immediately beneath the alluvium/fill) that could have been caused by saturation of fractures within the Walnut Formation. A high-resistivity anomaly in the central part of the study area probably is associated with pea gravel fill used in construction of a French drain. Another high resistivity anomaly in the west parking lot, slightly southeast of the French drain, could be caused by dense nonaqueous-phase liquid in the Walnut Formation. The inverted sections of the four transects in the landfill 3 area tended to have slightly higher resistivities in both the alluvium/fill and the Walnut Formation than the transects in the west parking lot. The higher resistivities in the alluvium/fill could have been caused by drier conditions in grassy areas relative to conditions in the west parking lot. Higher resistivities in parts of the Walnut Formation also could be a function of drier conditions or variations in the lithology of the Walnut Formation. In addition to the 10 vertical sections, four horizontal sections at 2-meteraltitude intervals show generally increasing resistivity with decreasing altitude that most likely results from the increased influence of the Walnut Formation, which has a higher resistivity than the terrace

  17. Evaluation of automated direct sample introduction with comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry for the screening analysis of dioxins in fish oil.

    PubMed

    Hoh, Eunha; Lehotay, Steven J; Mastovska, Katerina; Huwe, Janice K

    2008-08-01

    An automated direct sample introduction technique coupled to comprehensive two-dimensional gas chromatography-time of flight mass spectrometry (DSI-GC x GC/TOF-MS) was applied for the development of a relatively fast and easy analytical screening method for 17 polychlorinated dibenzo-p-dioxins/dibenzofurans (PCDD/Fs) and 4 non-ortho polychlorinated biphenyls (PCBs) in fish oil. Comparison of instrumental performance between DSI-GC x GC/TOF-MS and the traditional gas chromatographic high resolution mass spectrometric (GC-HRMS) method showed good agreement of results for standard solutions analyzed in blind fashion. Relatively high tolerance of the DSI technique for lipids in the final extracts enabled a streamlined sample preparation procedure that only required gel permeation chromatography (GPC) and solid-phase extraction (SPE) cleanup with graphitized carbon black. The sample size for the method was 2g of cod liver oil, which achieved limits of quantitation (LOQs) of 0.019-7.8 pg/g toxic equivalent quotients for the individual PCDD/Fs. Lower detection limits can be achieved by using larger sample size and scaling up the sample preparation procedure, but this adds to the labor, time, solvent consumption, and expense of the approach. However, the streamlined method yielded 0.94 pg/g and 2.3 pg/g LOQs for 2,3,7,8-tetrachloro dibenzofuran (TCDF) and 3,3',4,4',5-pentachloro biphenyl (CB126), which were sufficiently low for regulatory monitoring of 2g samples. Therefore, instead of congener specific analysis, this streamlined analytical screening method for TCDF and CB126 has the potential to monitor fish oil contaminated with dioxin and dioxin-like PCBs at or above current food safety limits. Acceptable recoveries for nearly all analytes at three different spiking levels in fish oil samples were achieved with good repeatability.

  18. Direct Analysis of Free and Sulfite-Bound Carbonyl Compounds in Wine by Two-Dimensional Quantitative Proton and Carbon Nuclear Magnetic Resonance Spectroscopy.

    PubMed

    Nikolantonaki, Maria; Magiatis, Prokopios; Waterhouse, Andrew L

    2015-11-03

    Recent developments that have accelerated 2D NMR methods and improved quantitation have made these methods accessible analytical procedures, and the large signal dispersion allows for the analysis of complex samples. Few natural samples are as complex as wine, so the application to challenges in wine analysis look promising. The analysis of carbonyl compounds in wine, key oxidation products, is complicated by a multitude of kinetically reversible adducts, such as acetals and sulfonates, so that sample preparation steps can generate complex interferences. These challenges could be overcome if the compounds could be quantified in situ. Here, two-dimensional ((1)H-(1)H) homonuclear and heteronuclear ((13)C-(1)H) single quantum correlations (correlation spectroscopy, COSY, and heteronuclear single quantum coherence, HSQC) nuclear magnetic resonance spectra of undiluted wine samples were observed at natural abundance. These techniques achieve simultaneous direct identification and quantitation of acetaldehyde, pyruvic acid, acetoin, methylglyoxal, and α-ketoglutaric acid in wine with only a small addition of D2O. It was also possible to observe and sometimes quantify the sulfite, hydrate, and acetal forms of the carbonyl compounds. The accuracy of the method was tested in wine samples by spiking with a mixture of all analytes at different concentrations. The method was applied to 15 wine samples of various vintages and grape varieties. The application of this method could provide a powerful tool to better understand the development, evolution, and perception of wine oxidation and insight into the impact of these sulfite bound carbonyls on antimicrobial and antioxidant action by SO2.

  19. Flexible Acyclic Polyol-Chloride Anion Complexes and Their Characterization by Photoelectron Spectroscopy and Variable Temperature Binding Constant Determinations

    SciTech Connect

    Shokri, Alireza; Wang, Xue B.; Wang, Yangping; O'Doherty, George A.; Kass, Steven R.

    2016-03-17

    Flexible acyclic alcohols with 1–5 hydroxyl groups were bound to chloride anion and these complexes were interrogated by negative ion photoelectron spectroscopy and companion density functional theory computations. The resulting vertical detachment energies are reproduced on average to 0.10 eV by M06-2X/aug-cc-pVTZ predictions and range from 4.45 – 5.96 eV. These values are 0.84 – 2.35 eV larger than the adiabatic detachment energy of Cl– as a result of the larger hydrogen bond networks in the bigger polyols. Adiabatic detachment energies of the alcohol–Cl– clusters are more difficult to determine both experimentally and computationally. This is due to the large geometry changes that occur upon photodetachment and the large bond dissociation energy of H–Cl which enables the resulting chlorine atom to abstract a hydrogen from any of the methylene (CH2) or methine (CH) positions. Both ionic and non-ionic hydrogen bonds (i.e., OH•••Cl– and OH•••OH•••Cl–) form in the larger polyols complexes, and are found to be energetically comparable. Subtle structural differences, consequently can lead to the formation of different types of hydrogen bonds and maximizing the ionic ones is not always preferred. Solution equilibrium binding constants between the alcohols and tetrrabuylammonium chloride (TBACl) in acetonitrile at -24.2, 22.0, and 53.6 °C were also determined. The free energies of association are nearly identical for all of the substrates (i.e., ΔG° = -2.8 ± 0.7 kcal mol–1). Compensating enthalpy and entropy values reveal, contrary to expectation and the intrinsic gas-phase preferences, that the bigger systems with more hydroxyl groups are entropically favored and enthalpically disfavored relative to the smaller species. This suggests that more solvent molecules are released upon binding TBACl to alcohols with more hydroxyl groups and is consistent with the measured negative heat capacities. These quantities increase with

  20. Acyclic Cucurbit[n]uril-type Molecular Containers: Influence of Aromatic Walls on their Function as Solubilizing Excipients for Insoluble Drugs

    PubMed Central

    2015-01-01

    We studied the influence of the aromatic sidewalls on the ability of acyclic CB[n]-type molecular containers (1a–1e) to act as solubilizing agents for 19 insoluble drugs including the developmental anticancer agent PBS-1086. All five containers exhibit good water solubility and weak self-association (Ks ≤ 624 M–1). We constructed phase solubility diagrams to extract Krel and Ka values for the container·drug complexes. The acyclic CB[n]-type containers generally display significantly higher Ka values than HP-β-CD toward drugs. Containers 1a–1e bind the steroidal ring system and aromatic moieties of insoluble drugs. Compound 1b displays highest affinity toward most of the drugs studied. Containers 1a and 1b are broadly applicable and can be used to formulate a wider variety of insoluble drugs than was previously possible with cyclodextrin technology. For drugs that are solubilized by both HP-β-CD and 1a–1e, lower concentrations of 1a–1e are required to achieve identical [drug]. PMID:25369565

  1. Capabilities of direct sample introduction--comprehensive two-dimensional gas chromatography--time-of-flight mass spectrometry to analyze organic chemicals of interest in fish oils.

    PubMed

    Hoh, Eunha; Lehotay, Steven J; Mastovska, Katerina; Ngo, Helen L; Vetter, Walter; Pangallo, Kristin C; Reddy, Christopher M

    2009-05-01

    Most analytical methods for persistent organic pollutants (POPs) focus on individual groups of targeted analytes. Therefore, analysis of multiple classes of POPs typically entails several sample preparations, fractionations, and injections, whereas other chemicals of possible interest are neglected or lost. To analyze a wider scope of organic contaminants in fish oil, we developed an approach to combine the analysis of targeted and untargeted chemicals using an automated direct sample introduction (DSI) and comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry (GC x GC/ ToF-MS). DSI-GC x GC/ToF-MS is a powerful tool that attains high quality separations to achieve high selectivity while still providing a wide analytical scope with minimal sample preparation, especially in conjunction with DSr's high tolerance to dirty extracts. Gel permeation chromatography (GPC) was used for initial separation of lipids from POPs and other GC-amenable organic compounds from dietary cod liver oil. For comparison purposes, additional cleanup of the GPC extracts was done by silica adsorption and acidification, which helped provide clues in the identification of untargeted compounds, but in routine analysis, only GPC is needed for this analytical approach. The approach allowed simultaneous identification of known-POPs in the fish liver oils, and further permitted presumptive identifications of multiple groups of halogenated natural products (HNPs) and other organic chemicals of interest through comparisons of the mass spectra from analyses with those from mass spectral libraries and/or reports in the literature (approximately 60 PCB congeners and 76 compounds in total). Subsequent confirmations were made by reanalysis and comparison of chromatographic retention times and mass spectra with contemporaneously analyzed reference standards. Otherwise, ion fragmentation patterns of unknown compounds were assessed for tentative identifications. Some of the

  2. Four and five dimensional radiotherapy with reference to prostate cancer--definitions, state of the art and further directions--an overview.

    PubMed

    Lennernäs, Bo; Castellanos, Enrique; Nilsson, Sten; Levitt, Seymour

    2011-06-01

    Radiotherapy (RT) always requires a compromise between tumor control and normal tissue side-effects. Technical innovation in radiation therapy (RT), such as three dimensional RT, is now established. Concerning prostate cancer (PC), it is reasonable to assume that RT of PC will increase in the future. The combination of small margins, a movable target (prostate), few fractions and high doses will probably demand dynamically positioning systems and in real time. This is called four dimensional radiotherapy (4DRT). Moreover, biological factors must be included in new treatments such as hypofractionation schedules. This new era is called five dimensional radiotherapy, 5DRT. In this paper we discuss new concepts in RT in respect to PC.

  3. Design and Implementation of a Self-Directed Stereochemistry Lesson Using Embedded Virtual Three-Dimensional Images in a Portable Document Format

    ERIC Educational Resources Information Center

    Cody, Jeremy A.; Craig, Paul A.; Loudermilk, Adam D.; Yacci, Paul M.; Frisco, Sarah L.; Milillo, Jennifer R.

    2012-01-01

    A novel stereochemistry lesson was prepared that incorporated both handheld molecular models and embedded virtual three-dimensional (3D) images. The images are fully interactive and eye-catching for the students; methods for preparing 3D molecular images in Adobe Acrobat are included. The lesson was designed and implemented to showcase the 3D…

  4. Detailed analysis of petroleum hydrocarbon attenuation in biopiles by high-performance liquid chromatography followed by comprehensive two-dimensional gas chromatography.

    PubMed

    Mao, Debin; Lookman, Richard; Van De Weghe, Hendrik; Van Look, Dirk; Vanermen, Guido; De Brucker, Nicole; Diels, Ludo

    2009-02-27

    Enhanced bioremediation of petroleum hydrocarbons in two biopiles was quantified by high-performance liquid chromatography (HPLC) followed by comprehensive two-dimensional gas chromatography (GCXGC). The attenuation of 34 defined hydrocarbon classes was calculated by HPLC-GCXGC analysis of representative biopile samples at start-up and after 18 weeks of biopile operation. In general, a-cyclic alkanes were most efficiently removed from the biopiles, followed by monoaromatic hydrocarbons. Cycloalkanes and polycyclic aromatic hydrocarbons (PAHs) were more resistant to degradation. A-cyclic biomarkers farnesane, trimethyl-C13, norpristane, pristane and phytane dropped to only about 10% of their initial concentrations. On the other hand, C29-C31 hopane concentrations remained almost unaltered after 18 weeks of biopile operation, confirming their resistance to biodegradation. They are thus reliable indicators to estimate attenuation potential of petroleum hydrocarbons in biopile processed soils.

  5. Analogues of acyclic nucleosides derived from tris-(hydroxymethyl)phosphine oxide or bis-(hydroxymethyl)phosphinic acid coupled to DNA nucleobases.

    PubMed

    Nawrot, Barbara; Michalak, Olga; De Clercq, Erik; Stec, Wojciech J

    2004-11-01

    A series of novel acyclic nucleoside analogues containing bis-(hydroxymethyl)phosphinic acid (BHPA) or tris(hydroxymethyl)phosphine oxide (THPO) coupled with DNA nucleobases or with 5-fluorouracil were prepared and their antiviral activity was studied against cytomegalovirus (CMV), varicella-zoster virus (VZV), parainfluenza-virus type 3, reovirus-type 1, sindbis, coxsackie B4, punta toro, vesicular stomatitis and respiratory syncytial virus, herpes simplex virus-type 1 (KOS) and type 2 (G), vaccinia virus and herpes simplex virus-1 (TK- KOS ACVr). No specific antiviral effects were noted for any of test compounds against viruses evaluated, except thymine, cytosine and adenine derivatives of BHPA exerting borderline activity against respiratory syncytial virus at the 80 mg/ml concentration.

  6. Acyclic diene metathesis with a monomer from renewable resources: control of molecular weight and one-step preparation of block copolymers.

    PubMed

    Rybak, Anastasiya; Meier, Michael A R

    2008-01-01

    The preparation of a long-chain aliphatic alpha,omega-diene from plant oil derivatives and its subsequent polymerization through acyclic diene metathesis (ADMET) is described. The ADMET bulk polymerization of the thus-obtained monomer, undecyl undecenoate, was investigated and optimized by applying ruthenium-based metathesis catalysts from Grubbs and Hoveyda-Grubbs, leading to high-molecular-weight polyesters. Moreover, by applying different amounts of methyl 10-undecenoate as a chain stopper in this ADMET step growth polymerization, the molecular weight of the resulting polyester could be tuned in a range from approximately 10 to 45 kDa. Finally, the application of a poly(ethylene glycol) methyl ether acrylate as the chain stopper led to the preparation of ABA triblock copolymers in a one-step, one-pot procedure.

  7. Efficacy of the acyclic nucleoside phosphonates (S)-9-(3-fluoro-2-phosphonylmethoxypropyl)adenine (FPMPA) and 9-(2-phosphonylmethoxyethyl)adenine (PMEA) against feline immunodeficiency virus.

    PubMed

    Hartmann, K; Kuffer, M; Balzarini, J; Naesens, L; Goldberg, M; Erfle, V; Goebel, F D; De Clercq, E; Jindrich, J; Holy, A; Bischofberger, N; Kraft, W

    1998-02-01

    The acyclic nucleoside phosphonates (S)-9-(3-fluoro-2-phosphonylmethoxypropyl)adenine (FPMPA) and 9-(2-phosphonylmethoxyethyl)adenine (PMEA) were evaluated for their efficacy and side effects in a double-blind placebo-controlled trial using naturally occurring feline immunodeficiency virus (FIV)-infected cats. This natural retrovirus animal model is considered highly relevant for the pathogenesis and chemotherapy of HIV in humans. Both PMEA and FPMPA proved effective in ameliorating the clinical symptoms of FIV-infected cats, as measured by several clinical parameters including the incidence and severity of stomatitis, Karnofsky's score, immunologic parameters such as relative and absolute CD4+ lymphocyte counts, and virologic parameters including proviral DNA levels in peripheral blood mononuclear cells (PBMC) of drug-treated animals. In contrast with PMEA, FPMPA showed no hematologic side effects at a dose that was 2.5-fold higher than PMEA.

  8. An integrated QSAR-PBK/D modelling approach for predicting detoxification and DNA adduct formation of 18 acyclic food-borne α,β-unsaturated aldehydes

    SciTech Connect

    Kiwamoto, R. Spenkelink, A.; Rietjens, I.M.C.M.; Punt, A.

    2015-01-01

    Acyclic α,β-unsaturated aldehydes present in food raise a concern because the α,β-unsaturated aldehyde moiety is considered a structural alert for genotoxicity. However, controversy remains on whether in vivo at realistic dietary exposure DNA adduct formation is significant. The aim of the present study was to develop physiologically based kinetic/dynamic (PBK/D) models to examine dose-dependent detoxification and DNA adduct formation of a group of 18 food-borne acyclic α,β-unsaturated aldehydes without 2- or 3-alkylation, and with no more than one conjugated double bond. Parameters for the PBK/D models were obtained using quantitative structure–activity relationships (QSARs) defined with a training set of six selected aldehydes. Using the QSARs, PBK/D models for the other 12 aldehydes were defined. Results revealed that DNA adduct formation in the liver increases with decreasing bulkiness of the molecule especially due to less efficient detoxification. 2-Propenal (acrolein) was identified to induce the highest DNA adduct levels. At realistic dietary intake, the predicted DNA adduct levels for all aldehydes were two orders of magnitude lower than endogenous background levels observed in disease free human liver, suggesting that for all 18 aldehydes DNA adduct formation is negligible at the relevant levels of dietary intake. The present study provides a proof of principle for the use of QSAR-based PBK/D modelling to facilitate group evaluations and read-across in risk assessment. - Highlights: • Physiologically based in silico models were made for 18 α,β-unsaturated aldehydes. • Kinetic parameters were determined by in vitro incubations and a QSAR approach. • DNA adduct formation was negligible at levels relevant for dietary intake. • The use of QSAR-based PBK/D modelling facilitates group evaluations and read-across.

  9. Data analysis results of the second sea trial of ambient noise imaging with acoustic lens in 2014: Two-dimensional target images affected by direction of field of view and spatial noise distribution

    NASA Astrophysics Data System (ADS)

    Mori, Kazuyoshi; Ogasawara, Hanako; Tsuchiya, Takenobu; Endoh, Nobuyuki

    2016-07-01

    An aspherical lens with an aperture diameter of 1.0 m has been designed and fabricated to develop a prototype system for ambient noise imaging (ANI). A sea trial of silent target detection using the prototype ANI system was conducted under only natural ocean ambient noise at Uchiura Bay in November 2010. It was verified that targets are successfully detected under natural ocean ambient noise, mainly generated by snapping shrimps. Recently, we have built a second prototype ANI system using an acoustic lens with a two-dimensional (2D) receiver array with 127 elements corresponding to a field of view (FOV) spanning 15° horizontally by 9° vertically. In this study, we investigated the effects of the direction of the FOV and the spatial noise distribution on the 2D target image obtained by ANI. Here, the noise sources in front of the target are called “front light”, and those at the rear of the target are called “back light”. The second sea trial was conducted to image targets arranged in the FOV and measure the positions of noise sources at Uchiura Bay in November 10-14, 2014. For front light, the pixel values in the on-target directions were greater than those in other directions owing to the dominant target scatterings. Reversely, for back light, the pixel values in the on-target directions were lower than those in other directions owing to the dominant direct noises such as “silhouette”.

  10. Coordination-directed one-dimensional coordination polymers generated from a new oxadiazole bridging ligand and HgX2 (X=Cl, Br and I).

    PubMed

    Yang, Rui; Ma, Jian Ping; Huang, Ru Qi; Dong, Yu Bin

    2011-06-01

    A new 1,3,4-oxadiazole bridging bent organic ligand, 2,5-bis{5-methyl-2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole, C(28)H(24)N(4)O(3), L, has been used to create three novel one-dimensional isomorphic coordination polymers, viz. catena-poly[[[dichloridomercury(II)]-μ-2,5-bis{5-methyl-2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole] methanol monosolvate], {[HgCl(2)(C(28)H(24)N(4)O(3))]·CH(3)OH}(n), catena-poly[[[dibromidomercury(II)]-μ-2,5-bis{5-methyl-2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole] methanol monosolvate], {[HgBr(2)(C(28)H(24)N(4)O(3))]·CH(3)OH}(n), and catena-poly[[[diiodidomercury(II)]-μ-2,5-bis{5-methyl-2-[(4-pyridyl)methoxy]phenyl}-1,3,4-oxadiazole] methanol monosolvate], {[HgI(2)(C(28)H(24)N(4)O(3))]·CH(3)OH}(n). The free L ligand itself adopts a cis conformation, with the two terminal pyridine rings and the central oxadiazole ring almost coplanar [dihedral angles = 5.994 (7) and 9.560 (6)°]. In the Hg(II) complexes, however, one of the flexible pyridylmethyl arms of ligand L is markedly bent and helical chains are obtained. The Hg(II) atom lies in a distorted tetrahedral geometry defined by two pyridine N-atom donors from two L ligands and two halide ligands. The helical chains stack together via interchain π-π interactions that expand the dimensionality of the structure from one to two. The methanol solvent molecules link to the complex polymers through O-H···N and O-H···O hydrogen bonds.

  11. Two-dimensional diffusion in Li0.7NbS2 as directly probed by frequency-dependent 7Li NMR.

    PubMed

    Epp, V; Nakhal, S; Lerch, M; Wilkening, M

    2013-05-15

    Li ion diffusion in layer-structured Li0.7NbS2 has been complementary investigated by nuclear magnetic resonance (NMR) spectroscopy from an atomic scale point of view. In the present case, (7)Li NMR spin-lattice relaxation (SLR) rates R1ρ probed in the rotating frame of reference proved very informative in characterizing the Li self-diffusion process in the van der Waals gap between the NbS2 layers. While temperature-variable SLRρ measurements were used to determine dynamic parameters such as jump rates (τ(-1)) and the activation energy (Ea), frequency-dependent measurements were used to specify the dimensionality of the diffusion process. In particular, the effect of annealing, i.e., the distribution of Li ions between the layers, on overall Li dynamics has been studied. When plotted in an Arrhenius diagram, the R1ρ rates of an annealed sample, which were recorded at a locking frequency of 20 kHz, pass through a diffusion-induced relaxation peak whose maximum shows up at 320 K. Employing an appropriate diffusion model and appropriately accounting for a non-diffusive background relaxation, a Li jump rate τ(-1)(300 K) ≈ 1.3 × 10(5) s(-1) and an activation energy Ea of 0.43(2) eV can be deduced. Most importantly, in the high-T limit of the diffusion-induced rate peak, i.e., when ω1τ < 1 holds, the rates follow a logarithmic frequency dependence. This points to a diffusion process of low dimensionality and is in good agreement with predictions of relaxation models developed for 2D diffusion.

  12. Direct Imaging of Charge Density Modulation in Switchable Two-Dimensional Electron Gas at the Oxide Hetero-Interfaces by Using Electron Bean Inline Holography

    DTIC Science & Technology

    2015-08-16

    to extract the internal electrostatic potential, V (x, y), and the charge density, ρ (x, y), distribution from the phase information of exit...potential, from which electric field is obtained directly. In order to extract a charge density of the 2-DEG from, one has to take account of the strong

  13. Real-time comparison of conventional direct control and pattern recognition myoelectric control in a two-dimensional Fitts' law style test.

    PubMed

    Wurth, Sophie M; Hargrove, Levi J

    2013-01-01

    Few studies have directly compared real-time control performance of pattern recognition to direct control for the next generation of myoelectric controlled upper limb prostheses. Many different implementations of pattern recognition control have been proposed, with minor differentiations in the feature sets and classifiers. An objective and generalizable evaluation tool quantifying the control performance, other than classification accuracy, is needed. This paper used the implementation of such a tool through the design of a target acquisition test, similar to a Fitts' law test, relating movement time of the target acquisition to the difficulty of the target, for a given control strategy. Performance metrics such as throughput (bits/sec), completion rate (%) and path efficiency (%) allow for a complete evaluation of the described strategies. We compared direct control and pattern recognition control with the proposed test and found that 1) the test was valid for control system evaluation by following Fitts' law with high coefficients of determination for both types of control and 2) that pattern recognition significantly outperformed direct control in throughput with similar completion rates and path efficiencies. In this framework, the present pilot study supports pattern recognition as a promising strategy and forms a basis for the development of a general and objective tool for the performance evaluation of upper limb control strategies.

  14. A comparison of the precision of three-dimensional images acquired by 2 digital intraoral scanners: effects of tooth irregularity and scanning direction

    PubMed Central

    Anh, Ji-won; Park, Ji-Man; Chun, Youn-Sic; Kim, Miae

    2016-01-01

    Objective The purpose of this study was to compare the precision of three-dimensional (3D) images acquired using iTero® (Align Technology Inc., San Jose, CA, USA) and Trios® (3Shape Dental Systems, Copenhagen, Denmark) digital intraoral scanners, and to evaluate the effects of the severity of tooth irregularities and scanning sequence on precision. Methods Dental arch models were fabricated with differing degrees of tooth irregularity and divided into 2 groups based on scanning sequence. To assess their precision, images were superimposed and an optimized superimposition algorithm was employed to measure any 3D deviation. The t-test, paired t-test, and one-way ANOVA were performed (p < 0.05) for statistical analysis. Results The iTero® and Trios® systems showed no statistically significant difference in precision among models with differing degrees of tooth irregularity. However, there were statistically significant differences in the precision of the 2 scanners when the starting points of scanning were different. The iTero® scanner (mean deviation, 29.84 ± 12.08 µm) proved to be less precise than the Trios® scanner (22.17 ± 4.47 µm). Conclusions The precision of 3D images differed according to the degree of tooth irregularity, scanning sequence, and scanner type. However, from a clinical standpoint, both scanners were highly accurate regardless of the degree of tooth irregularity. PMID:26877977

  15. Recent research directions in Fribourg: nuclear dynamics in resonances revealed by 2-dimensional EEL spectra, electron collisions with ionic liquids and electronic excitation of pyrimidine

    NASA Astrophysics Data System (ADS)

    Allan, Michael; Regeta, Khrystyna; Gorfinkiel, Jimena D.; Mašín, Zdeněk; Grimme, Stefan; Bannwarth, Christoph

    2016-05-01

    The article briefly reviews three subjects recently investigated in Fribourg: (i) electron collisions with surfaces of ionic liquids, (ii) two-dimensional (2D) electron energy loss spectra and (iii) resonances in absolute cross sections for electronic excitation of unsaturated compounds. Electron energy loss spectra of four ionic liquids revealed a number of excited states, including triplet states. A solution of a dye in an ionic liquid showed an energy-loss band of the solute, but not in all ionic liquids. 2D spectra reveal state-to-state information (given resonance to given final state) and are shown to be an interesting means to gain insight into dynamics of nuclear motion in resonances. Absolute cross sections for pyrimidine are reported as a function of scattering angle and as a function of electron energy. They reveal resonant structure which was reproduced very nicely by R-matrix calculations. The calculation provided an assignment of the resonances which reveals common patterns in compounds containing double bonds.

  16. Furan-oxidation-triggered inducible DNA cross-linking: acyclic versus cyclic furan-containing building blocks--on the benefit of restoring the cyclic sugar backbone.

    PubMed

    Stevens, Kristof; Claeys, Diederica D; Catak, Saron; Figaroli, Sara; Hocek, Michal; Tromp, Jan M; Schürch, Stefan; Van Speybroeck, Veronique; Madder, Annemieke

    2011-06-14

    Oligodeoxynucleotides incorporating a reactive functionality can cause irreversible cross-linking to the target sequence and have been widely studied for their potential in inhibition of gene expression or development of diagnostic probes for gene analysis. Reactive oligonucleotides further show potential in a supramolecular context for the construction of nanometer-sized DNA-based objects. Inspired by the cytochrome P450 catalyzed transformation of furan into a reactive enal species, we recently introduced a furan-oxidation-based methodology for cross-linking of nucleic acids. Previous experiments using a simple acyclic building block equipped with a furan moiety for incorporation into oligodeoxynucleotides have shown that cross-linking occurs in a very fast and efficient way and that substantial amounts of stable, site-selectively cross-linked species can be isolated. Given the destabilization of duplexes observed upon introduction of the initially designed furan-modified building block into DNA duplexes, we explore here the potential benefits of two new building blocks featuring an extended aromatic system and a restored cyclic backbone. Thorough experimental analysis of cross-linking reactions in a series of contexts, combined with theoretical calculations, permit structural characterization of the formed species and allow assessment of the origin of the enhanced cross-link selectivity. Our experiments clearly show that the modular nature of the furan-modified building blocks used in the current cross-linking strategy allow for fine tuning of both yield and selectivity of the interstrand cross-linking reaction.

  17. First acyclic diene metathesis polymerization under biphasic conditions using a dicationic ruthenium alkylidene: access to high-molecular-weight polymers with very low ruthenium contamination.

    PubMed

    Zhao, Jing; Wang, Dongren; Autenrieth, Benjamin; Buchmeiser, Michael R

    2015-01-01

    The acyclic diene metathesis (ADMET) polymerization of 6-hydroxy-1,10-undecadiene (M1) and 6-acetoxy-1,10-undecadiene (M2) by the action of two different catalysts, i.e., the second-generation Grubbs-Hoveyda system ([RuCl2(IMesH2)(CH-2-(2-PrO-C6H4)]) (1) and the dicationic ruthenium alkylidene [Ru(DMF)3(IMesH2)(CH-2-(2-PrO-C6H4)] (2, IMesH2 = 1,3-dimesitylimidazolin-2-ylidene) is reported. Biphasic conditions using 1-butyl-2,3-dimethylimidazolium tetrafluoroborate ([BDMIM(+)BF4(-)]) and 1,2,4-trichlorobenzene (TCB) are applied. Under the chosen conditions (T = 75 °C, 20 mbar), the use of catalyst 1 results only in the formation of low-molecular-weight polymers (Mn ≤ 10,000 g mol(-1)), while catalyst 2 allows for the high yield synthesis of high-molecular-weight polymers (Mn ≤ 40,000 g mol(-1), yields ≤ 99%). Irrespective of the catalyst used, all polymers display a high trans-content (>95%). Notably, Ru-contamination of the target polymers without any additional purification is as low as 1.2 ppm with catalyst 2. Together with the high yields and high molecular weights, the low Ru-contaminations clearly illustrate the advantages of the biphasic setup.

  18. All-carbon quaternary stereogenic centers in acyclic systems through the creation of several C-C bonds per chemical step.

    PubMed

    Marek, Ilan; Minko, Yury; Pasco, Morgane; Mejuch, Tom; Gilboa, Noga; Chechik, Helena; Das, Jaya P

    2014-02-19

    In the past few decades, it has become clear that asymmetric catalysis is one of the most powerful methods for the construction of carbon-carbon as well as carbon-heteroatom bonds in a stereoselective manner. However, when structural complexity increases (i.e., all-carbon quaternary stereogenic center), the difficulty in reaching the desired adducts through asymmetric catalytic reactions leads to a single carbon-carbon bond-forming event per chemical step between two components. Issues of efficiency and convergence should therefore be addressed to avoid extraneous chemical steps. In this Perspective, we present approaches that tackle the stimulating problem of efficiency while answering interesting synthetic challenges. Ideally, if one could create all-carbon quaternary stereogenic centers via the creation of several new carbon-carbon bonds in an acyclic system and in a single-pot operation from simple precursors, it would certainly open new horizons toward solving the synthetic problems. Even more important for any further design, the presence of polyreactive intermediates in synthesis (bismetalated, carbenoid, and oxenoids species) becomes now an indispensable tool, as it creates consecutively the same number of carbon-carbon bonds as in a multi-step process, but in a single-pot operation.

  19. Mechanism of inhibition of adenovirus DNA replication by the acyclic nucleoside triphosphate analogue (S)-HPMPApp: influence of the adenovirus DNA binding protein.

    PubMed Central

    Mul, Y M; van Miltenburg, R T; De Clercq, E; van der Vliet, P C

    1989-01-01

    The acyclic adenosine analogue (S)-9-(3-hydroxy-2-phosphonylmethoxypropyl)adenine [S]-HPMPA) is a potent and selective inhibitor of adenovirus (Ad) replication in cell culture. We studied the mechanism of inhibition using a reconstituted in vitro DNA replication system. The diphosphoryl derivative (S)-HPMPApp, but not (S)-HPMPA, inhibited the DNA replication of origin containing fragments strongly. The inhibitory effect was exerted at the level of elongation, while initiation was resistant to the drug. Remarkably, the elongation of short strands was only slightly impaired, while inhibition was maximal upon synthesis of long DNA fragments. (S)-HPMPApp appeared to be competitive with dATP, suggesting that the Ad DNA polymerase is the prime target for the drug. We purified the Ad DNA polymerase in complex to the precursor terminal protein to homogeneity from cells infected with overproducing recombinant vaccinia viruses. Employing gapped DNA or poly(dT).oligo(dA) templates, only a weak inhibition was observed. However, inhibition was strongly enhanced in the presence of the adenovirus DNA binding protein (DBP). We interpret this to mean that the increased processivity of the polymerization reaction in the presence of DBP leads to increased drug sensitivity. Images PMID:2587248

  20. Synthesis, spectroscopic studies and inhibitory activity against bactria and fungi of acyclic and macrocyclic transition metal complexes containing a triamine coumarine Schiff base ligand

    NASA Astrophysics Data System (ADS)

    Abou-Hussein, A. A.; Linert, Wolfgang

    2015-04-01

    Two series of new mono and binuclear complexes with a Schiff base ligand derived from the condensation of 3-acetylcoumarine and diethylenetriamine, in the molar ratio 2:1 have been prepared. The ligand was characterized by elemental analysis, IR, UV-visible, 1H-NMR and mass spectra. The reaction of the Schiff base ligand with cobalt(II), nickel(II), copper(II), zinc(II) and oxovanadium(IV) lead to mono or binuclear species of cyclic or macrocyclic complexes, depending on the mole ratio of metal to ligand and as well as on the method of preparation. The Schiff base ligand behaves as a cyclic bidentate, tetradendate or pentaentadentae ligand. The formation of macrocyclic complexes depends significantly on the dimension of the internal cavity, the rigidity of the macrocycles, the nature of its donor atoms and on the complexing properties of the anion involved in the coordination. Electronic spectra and magnetic moments of the complexes indicate that the geometries of the metal centers are either square pyramidal or octahedral for acyclic or macro-cyclic complexes. The structures are consistent with the IR, UV-visible, ESR, 1H-NMR, mass spectra as well as conductivity and magnetic moment measurements. The Schiff base ligand and its metal complexes were tested against two pathogenic bacteria as Gram-positive and Gram-negative bacteria as well as one kind of fungi. Most of the complexes exhibit mild antibacterial and antifungal activities against these organisms.

  1. Solvent-Directed Sol-Gel Assembly of 3-Dimensional Graphene-Tented Metal Oxides and Strong Synergistic Disparities in Lithium Storage

    SciTech Connect

    Ye, Jianchao; An, Yonghao; Montalvo, Elizabeth; Campbell, Patrick G.; Worsley, Marcus A.; Tran, Ich C.; Liu, Yuanyue; Wood, Brandon C.; Biener, Juergen; Jiang, Hanqing; Tang, Ming; Wang, Y. Morris

    2016-03-21

    Graphene/metal oxide (GMO) nanocomposites promise a broad range of utilities for lithium ion batteries (LIBs), pseudocapacitors, catalysts, and sensors. When applied as anodes for LIBs, GMOs often exhibit high capacity, improved rate capability and cycling performance. Numerous studies have attributed these favorable properties to a passive role played by the exceptional electronic and mechanical properties of graphene in enabling metal oxides (MOs) to achieve near-theoretical capacities. In contrast, the effects of MOs on the active lithium storage mechanisms of graphene remain enigmatic. Via a unique two-step solvent-directed sol-gel process, we have synthesized and directly compared the electrochemical performance of several representative GMOs, namely Fe2O3/graphene, SnO2/graphene, and TiO2/graphene. We observe that MOs can play an equally important role in empowering graphene to achieve large reversible lithium storage capacity. The magnitude of capacity improvement is found to scale roughly with the surface coverage of MOs, and depend sensitively on the type of MOs. We define a synergistic factor based on the capacity contributions. Our quantitative assessments indicate that the synergistic effect is most achievable in conversion-reaction GMOs (Fe2O3/graphene and SnO2/graphene) but not in intercalation-based TiO2/graphene. However, a long cycle stability up to 2000 cycles was observed in TiO2/graphene nanocomposites. We propose a surface coverage model to qualitatively rationalize the beneficial roles of MOs to graphene. Our first-principles calculations further suggest that the extra lithium storage sites could result from the formation of Li2O at the interface with graphene during the conversion-reaction. These results suggest an effective pathway for reversible lithium storage in graphene and shift design paradigms for graphene-based electrodes.

  2. Assisted extraction of the energy level spacings and lever arms in direct current bias measurements of one-dimensional quantum wires, using an image recognition routine

    NASA Astrophysics Data System (ADS)

    Lesage, A. A. J.; Smith, L. W.; Al-Taie, H.; See, P.; Griffiths, J. P.; Farrer, I.; Jones, G. A. C.; Ritchie, D. A.; Kelly, M. J.; Smith, C. G.

    2015-01-01

    A multiplexer technique is used to individually measure an array of 256 split gates on a single GaAs/AlGaAs heterostructure. This results in the generation of large volumes of data, which requires the development of automated data analysis routines. An algorithm is developed to find the spacing between discrete energy levels, which form due to transverse confinement from the split gate. The lever arm, which relates split gate voltage to energy, is also found from the measured data. This reduces the time spent on the analysis. Comparison with estimates obtained visually shows that the algorithm returns reliable results for subband spacing of split gates measured at 1.4 K. The routine is also used to assess direct current bias spectroscopy measurements at lower temperatures (50 mK). This technique is versatile and can be extended to other types of measurements. For example, it is used to extract the magnetic field at which Zeeman-split 1D subbands cross one another.

  3. Assisted extraction of the energy level spacings and lever arms in direct current bias measurements of one-dimensional quantum wires, using an image recognition routine

    SciTech Connect

    Lesage, A. A. J. Smith, L. W. Griffiths, J. P.; Farrer, I.; Jones, G. A. C.; Ritchie, D. A.; Smith, C. G.; Al-Taie, H.; Kelly, M. J.; See, P.

    2015-01-07

    A multiplexer technique is used to individually measure an array of 256 split gates on a single GaAs/AlGaAs heterostructure. This results in the generation of large volumes of data, which requires the development of automated data analysis routines. An algorithm is developed to find the spacing between discrete energy levels, which form due to transverse confinement from the split gate. The lever arm, which relates split gate voltage to energy, is also found from the measured data. This reduces the time spent on the analysis. Comparison with estimates obtained visually shows that the algorithm returns reliable results for subband spacing of split gates measured at 1.4 K. The routine is also used to assess direct current bias spectroscopy measurements at lower temperatures (50 mK). This technique is versatile and can be extended to other types of measurements. For example, it is used to extract the magnetic field at which Zeeman-split 1D subbands cross one another.

  4. Three-dimensional magnetotelluric inversion including topography using deformed hexahedral edge finite elements, direct solvers and data space Gauss-Newton, parallelized on SMP computers

    NASA Astrophysics Data System (ADS)

    Kordy, M. A.; Wannamaker, P. E.; Maris, V.; Cherkaev, E.; Hill, G. J.

    2014-12-01

    We have developed an algorithm for 3D simulation and inversion of magnetotelluric (MT) responses using deformable hexahedral finite elements that permits incorporation of topography. Direct solvers parallelized on symmetric multiprocessor (SMP), single-chassis workstations with large RAM are used for the forward solution, parameter jacobians, and model update. The forward simulator, jacobians calculations, as well as synthetic and real data inversion are presented. We use first-order edge elements to represent the secondary electric field (E), yielding accuracy O(h) for E and its curl (magnetic field). For very low frequency or small material admittivity, the E-field requires divergence correction. Using Hodge decomposition, correction may be applied after the forward solution is calculated. It allows accurate E-field solutions in dielectric air. The system matrix factorization is computed using the MUMPS library, which shows moderately good scalability through 12 processor cores but limited gains beyond that. The factored matrix is used to calculate the forward response as well as the jacobians of field and MT responses using the reciprocity theorem. Comparison with other codes demonstrates accuracy of our forward calculations. We consider a popular conductive/resistive double brick structure and several topographic models. In particular, the ability of finite elements to represent smooth topographic slopes permits accurate simulation of refraction of electromagnetic waves normal to the slopes at high frequencies. Run time tests indicate that for meshes as large as 150x150x60 elements, MT forward response and jacobians can be calculated in ~2.5 hours per frequency. For inversion, we implemented data space Gauss-Newton method, which offers reduction in memory requirement and a significant speedup of the parameter step versus model space approach. For dense matrix operations we use tiling approach of PLASMA library, which shows very good scalability. In synthetic

  5. In Vitro Selectivity of an Acyclic Cucurbit[n]uril Molecular Container towards Neuromuscular Blocking Agents Relative to Commonly Used Drugs

    PubMed Central

    Ganapati, Shweta; Zavalij, Peter Y.; Eikermann, Matthias; Isaacs, Lyle

    2015-01-01

    An acyclic cucurbit[n]uril (CB[n]) based molecular container (2, a.k.a. Calabadion 2) binds to both amino-steroidal and benzylisoquinolinium type neuromuscular blocking agents (NMBAs) in vitro, and reverses the effect of these drugs in vivo displaying faster recovery times than placebo and the γ-cyclodextrin (CD) based and clinically used reversal agent Sugammadex. In this study we have assessed the potential for other drugs commonly used during and after surgery (e.g. antibiotics, antihistamines, and antiarrhythmics) to interfere with the ability of 2 to bind NMBAs rocuronium and cisatracurium in vitro. We measured the binding affinities (Ka, M−1) of twenty seven commonly used drugs towards 2 and simulated the equilibrium between 2, NMBA, and drug based on their standard clinical dosages to calculate the equilibrium concentration of 2•NMBA in the presence of the various drugs. We found that none of the 27 drugs studied possess the combination of a high enough binding affinity with 2 and a high enough standard dosage to be able to promote the competitive dissociation (a.k.a. displacement interactions) of the 2•NMBA complex with the formation of the 2•drug complex. Finally, we used the simulations to explore how the potential for displacement interactions is affected by a number of factors including the Ka of the 2•NMBA complex, the Ka of the AChR•NMBA complex, the Ka of the 2•drug complex, and the dosage of the drug. PMID:26648135

  6. Accumulation of acyclic polyols and trehalose as related to growth form and carbohydrate source in the dimorphic fungi Mucor rouxii and Candida albicans.

    PubMed

    Pfyffer, G E; Rast, D M

    1989-01-01

    Yeast (Y) and hyphal (H) cells of Mucor rouxii and Candida albicans were cultivated in liquid media containing different carbon nutrient sources (glucose, fructose, ribose) and their free acyclic polyol and trehalose contents determined using capillary gas liquid chromatography (TMS- and OAc-derivatization). Irrespective of growth form and C-source, the fraction of the water-soluble neutral components of the cellular mass of the cultures - highly homogeneous with regard to the respective cell form produced - contained glycerol, ribitol and arabitol, in addition to trehalose. The polyols contributed 0.5-2% to the biomass of M. rouxii and 1.5-6% to that of C. albicans; the values for trehalose ranged from 0.2-11% in the former and 1-3.5% in the latter species. Mucor contained higher amounts of ribitol and arabitol in H cells and larger quantities of trehalose and glycerol in Y cells. In Candida, too, hyphae always exhibited higher ribitol contents, whereas arabitol attained higher levels in yeasts under almost any conditions - regardless of the type of medium (synthetic vs. complex), stage of culture (early vs. late log-phase) and strain used. Glycerol concentration was not correlated with the growth form; trehalose contents tended to be higher in Y cells. Taking into account the facts that C. albicans and certain Mucor species are agents of opportunistic infections and are invasive mainly in the filamentous form, and that the prospective hosts do not accumulate either of these carbohydrates, the possibility is considered of using trehalose- and polyol-metabolizing enzymes as targets for designing antifungal drugs.

  7. Acyclic Cucurbit[n]uril-Type Molecular Container Enables Systemic Delivery of Effective Doses of Albendazole for Treatment of SK-OV-3 Xenograft Tumors.

    PubMed

    Hettiarachchi, Gaya; Samanta, Soumen K; Falcinelli, Shane; Zhang, Ben; Moncelet, Damien; Isaacs, Lyle; Briken, Volker

    2016-03-07

    Approximately, 40-70% of active pharmaceutical ingredients (API) are severely limited by their extremely poor aqueous solubility, and consequently, there is a high demand for excipients that can be used to formulate clinically relevant doses of these drug candidates. Here, proof-of-concept studies demonstrate the potential of our recently discovered acyclic cucurbit[n]uril-type molecular container Motor1 (M1) as a solubilizing agent for insoluble drugs. M1 did not induce significant rates of mutations in various Salmonella typhimurium test strains during the Ames test, suggesting low genotoxicity. M1 also has low risk of causing cardiac toxicity in humans since it did not inhibit the human Ether-à-go-go-Related Gene channel as tested on transfected CHO cell lines via patch clamp analysis. Albendazole (ABZ) is a widely used antihelminthic agent but that has also shown promising efficacy against cancerous cells in vitro. However, due to its low aqueous solubility (2.7 μM) and poor pharmacokinetics, ABZ is clinically limited as an anticancer agent. Here we investigated the potential of M1 as a solubilizing excipient for ABZ formulation. A pharmacokinetic study indicated that ABZ escapes the peritoneal cavity resulting in 78% absolute bioavailability, while its active intermediate metabolite, albendazole sulfoxide, achieved 43% absolute bioavailability. The daily dosing of 681 mg/kg M1 complexed with 3.2 mg/kg of ABZ for 14 days did not result in significant weight loss or pathology in Swiss Webster mice. In vivo efficacy studies using this M1·ABZ inclusion complex showed significant decreases in tumor growth rates and increases in survival of mice bearing SK-OV-3 xenograft tumors. In conclusion, we provide substantial new evidence demonstrating that M1 is a safe and efficient excipient that enables in vivo parenteral delivery of poorly water-soluble APIs.

  8. Study of the Impact of Tissue Density Heterogeneities on 3-Dimensional Abdominal Dosimetry: Comparison Between Dose Kernel Convolution and Direct Monte Carlo Methods

    PubMed Central

    Dieudonné, Arnaud; Hobbs, Robert F.; Lebtahi, Rachida; Maurel, Fabien; Baechler, Sébastien; Wahl, Richard L.; Boubaker, Ariane; Le Guludec, Dominique; Sgouros, Georges; Gardin, Isabelle

    2014-01-01

    Dose kernel convolution (DK) methods have been proposed to speed up absorbed dose calculations in molecular radionuclide therapy. Our aim was to evaluate the impact of tissue density heterogeneities (TDH) on dosimetry when using a DK method and to propose a simple density-correction method. Methods This study has been conducted on 3 clinical cases: case 1, non-Hodgkin lymphoma treated with 131I-tositumomab; case 2, a neuroendocrine tumor treatment simulated with 177Lu-peptides; and case 3, hepatocellular carcinoma treated with 90Y-microspheres. Absorbed dose calculations were performed using a direct Monte Carlo approach accounting for TDH (3D-RD), and a DK approach (VoxelDose, or VD). For each individual voxel, the VD absorbed dose, DVD, calculated assuming uniform density, was corrected for density, giving DVDd. The average 3D-RD absorbed dose values, D3DRD, were compared with DVD and DVDd, using the relative difference ΔVD/3DRD. At the voxel level, density-binned ΔVD/3DRD and ΔVDd/3DRD were plotted against ρ and fitted with a linear regression. Results The DVD calculations showed a good agreement with D3DRD. ΔVD/3DRD was less than 3.5%, except for the tumor of case 1 (5.9%) and the renal cortex of case 2 (5.6%). At the voxel level, the ΔVD/3DRD range was 0%–14% for cases 1 and 2, and −3% to 7% for case 3. All 3 cases showed a linear relationship between voxel bin-averaged ΔVD/3DRD and density, ρ: case 1 (Δ = −0.56ρ + 0.62, R2 = 0.93), case 2 (Δ = −0.91ρ + 0.96, R2 = 0.99), and case 3 (Δ = −0.69ρ + 0.72, R2 = 0.91). The density correction improved the agreement of the DK method with the Monte Carlo approach (ΔVDd/3DRD < 1.1%), but with a lesser extent for the tumor of case 1 (3.1%). At the voxel level, the ΔVDd/3DRD range decreased for the 3 clinical cases (case 1, −1% to 4%; case 2, −0.5% to 1.5%, and −1.5% to 2%). No more linear regression existed for cases 2 and 3, contrary to case 1 (Δ = 0.41ρ − 0.38, R2 = 0.88) although

  9. Accurate, Direct, and High-Throughput Analyses of a Broad Spectrum of Endogenously Generated DNA Base Modifications with Isotope-Dilution Two-Dimensional Ultraperformance Liquid Chromatography with Tandem Mass Spectrometry: Possible Clinical Implication.

    PubMed

    Gackowski, Daniel; Starczak, Marta; Zarakowska, Ewelina; Modrzejewska, Martyna; Szpila, Anna; Banaszkiewicz, Zbigniew; Olinski, Ryszard

    2016-12-20

    Our hereby presented methodology is suitable for reliable assessment of the most common unavoidable DNA modifications which arise as a product of fundamental metabolic processes. 8-Oxoguanine, one of the oxidatively modified DNA bases, is a typical biomarker of oxidative stress. A noncanonical base, uracil, may be also present in small quantities in DNA. A set of ten-eleven translocation (TET) proteins are involved in oxidation of 5-methylcytosine to 5-hydroxymethylcytosine which can be further oxidized to 5-formylcytosine and 5-carboxycytosine. 5-Hydroxymethyluracil may be formed in deamination reaction of 5-hydroxymethylcytosine or can be also generated by TET enzymes. All of the aforementioned modifications seem to play some regulatory roles. We applied isotope-dilution automated online two-dimensional ultraperformance liquid chromatography with tandem mass spectrometry (2D-UPLC-MS/MS) for direct measurement of the 5-methyl-2'-deoxycytidine, 5-(hydroxymethyl)-2'-deoxycytidine, 5-formyl-2'-deoxycytidine, 5-carboxy-2'-deoxycytidine, 5-(hydroxymethyl)-2'-deoxyuridine, 2'-deoxyuridine, and 8-oxo-2'-deoxyguanosine. Analyses of DNA extracted from matched human samples showed that the 5-(hydroxymethyl)-2'-deoxycytidine level was 5-fold lower in colorectal carcinoma tumor in comparison with the normal one from the tumor's margin; also 5-formyl-2'-deoxycytidine and 5-carboxy-2'-deoxycytidine were lower in colorectal carcinoma tissue (ca. 2.5- and 3.5-fold, respectively). No such differences was found for 2'-deoxyuridine and 5-(hydroxymethyl)-2'-deoxyuridine. The presented methodology is suitable for fast, accurate, and complex evaluation of an array of endogenously generated DNA deoxynucleosides modifications. This novel technique could be used for monitoring of cancer and other diseases related to oxidative stress, aberrant metabolism, and environmental exposure. Furthermore, the fully automated two-dimensional separation is extremely useful for analysis of material

  10. Method development and application of offline two-dimensional liquid chromatography/quadrupole time-of-flight mass spectrometry-fast data directed analysis for comprehensive characterization of the saponins from Xueshuantong Injection.

    PubMed

    Yang, Wenzhi; Zhang, Jingxian; Yao, Changliang; Qiu, Shi; Chen, Ming; Pan, Huiqin; Shi, Xiaojian; Wu, Wanying; Guo, Dean

    2016-09-05

    Xueshuantong Injection (XSTI), derived from Notoginseng total saponins, is a popular traditional Chinese medicine injection for the treatment of thrombus-resultant diseases. Current knowledge on its therapeutic basis is limited to five major saponins, whereas those minor ones are rarely investigated. We herein develop an offline two-dimensional liquid chromatography/quadrupole time-of-flight mass spectrometry-fast data directed analysis (offline 2D LC/QTOF-Fast DDA) approach to systematically characterize the saponins contained in XSTI. Key parameters affecting chromatographic separation in 2D LC (including stationary phase, mobile phase, column temperature, and gradient elution program) and the detection by QTOF MS (involving spray voltage, cone voltage, and ramp collision energy) were optimized in sequence. The configured offline 2D LC system showed an orthogonality of 0.84 and a theoretical peak capacity of 8976. Total saponins in XSTI were fractionated into eleven samples by the first-dimensional hydrophilic interaction chromatography, which were further analyzed by reversed-phase UHPLC/QTOF-Fast DDA in negative ion mode. The fragmentation features evidenced from 36 saponin reference standards, high-accuracy MS and Fast-DDA-MS(2) data, elemental composition (C<80, H<120, O<50), double-bond equivalent (DBE 5-15), and searching an in-house library of Panax notoginseng, were simultaneously utilized for structural elucidation. Ultimately, 148 saponins were separated and characterized, and 80 have not been isolated from P. notoginseng. An in-depth depiction of the chemical composition of XSTI was achieved. The results obtained would benefit better understanding of the therapeutic basis and significant promotion on the quality standard of XSTI as well as other homologous products.

  11. Direct and rapid induction of migration in human CD4+ T lymphocytes within three-dimensional collagen matrices mediated by signalling via CD3 and/or CD2.

    PubMed Central

    Nikolai, G; Niggemann, B; Werner, M; Zänker, K S; Friedl, P

    1998-01-01

    Specific activation of T cells requires stable cell-cell interaction; however, little is known how the transition from a previously motile state into a sessile state following activation is achieved. We investigated the direct effect of T-cell receptor (TCR)/CD3 complex engagement and/or stimulation of the accessory molecule CD2 on the locomotion of peripheral human T cells within three-dimensional (3-D) collagen lattices. Simultaneous engagement of CD3 and CD2 very potently stimulated T-cell migration, resulting in the recruitment of previously sessile cells (about 24% of the total population was additionally recruited) as well as an increase in the mean duration of active locomotion. This induction of migration was accompanied by an increased tyrosine phosphorylation of a 125 000 MW substrate corresponding to the focal adhesion kinase. Using confocal laser scanning microscopy we detected antibody-induced receptor capping into the uropod of migrating T cells whereas untreated control cells displayed an even distribution of CD3 and CD2 on the cell surface. Less pronounced induction of locomotion was achieved following triggering of CD3 or CD2 alone. Thus, in 3-D collagen lattices specific T-cell activation did not lead to cessation of cellular migration but rather induced cytoskeletal activity that ultimately resulted in vigorous locomotory activity. Images Figure 1 Figure 2 Figure 3 PMID:9767458

  12. Acyclic peptide inhibitors of amylases.

    PubMed

    Pohl, Nicola

    2005-12-01

    In this issue of Chemistry and Biology, a library screening approach reveals a linear octapeptide inhibitor of alpha-amylases reached by de novo design . The selected molecule shares characteristics with naturally occurring protein inhibitors -- a result that suggests general rules for the design of peptide-based amylase inhibitors may be achievable.

  13. Do Advance Directives Direct?

    PubMed

    Shapiro, Susan P

    2015-06-01

    Resolution of long-standing debates about the role and impact of advance directives - living wills and powers of attorney for health care - has been hampered by a dearth of appropriate data, in particular data that compare the process and outcomes of end-of-life decision making on behalf of patients with and without advance directives. Drawing on a large ethnographic study of patients in two intensive care units in a large urban teaching hospital, this article compares aspects of the medical decision-making process and outcomes by advance-directive status. Controlling for demographic characteristics and severity of illness, the study finds few significant differences between patients without advance directives and those who claim to have them. Surprisingly, these few differences hold only for those whose directives are in their hospital chart. There are no significant differences between those with no directive and those claiming to have a copy at home or elsewhere. The article considers the implications if directives seemingly must be in hand to show even modest effects. Do advance directives direct? The intensive care unit data provide far more support for the growing body of literature that casts doubt on their impact than studies that promote the use of them.

  14. Combining two-dimensional diffusion-ordered nuclear magnetic resonance spectroscopy, imaging desorption electrospray ionization mass spectrometry, and direct analysis in real-time mass spectrometry for the integral investigation of counterfeit pharmaceuticals.

    PubMed

    Nyadong, Leonard; Harris, Glenn A; Balayssac, Stéphane; Galhena, Asiri S; Malet-Martino, Myriam; Martino, Robert; Parry, R Mitchell; Wang, May Dongmei; Fernández, Facundo M; Gilard, Véronique

    2009-06-15

    During the past decade, there has been a marked increase in the number of reported cases involving counterfeit medicines in developing and developed countries. Particularly, artesunate-based antimalarial drugs have been targeted, because of their high demand and cost. Counterfeit antimalarials can cause death and can contribute to the growing problem of drug resistance, particularly in southeast Asia. In this study, the complementarity of two-dimensional diffusion-ordered (1)H nuclear magnetic resonance spectroscopy (2D DOSY (1)H NMR) with direct analysis in real-time mass spectrometry (DART MS) and desorption electrospray ionization mass spectrometry (DESI MS) was assessed for pharmaceutical forensic purposes. Fourteen different artesunate tablets, representative of what can be purchased from informal sources in southeast Asia, were investigated with these techniques. The expected active pharmaceutical ingredient was detected in only five formulations via both nuclear magnetic resonance (NMR) and mass spectrometry (MS) methods. Common organic excipients such as sucrose, lactose, stearate, dextrin, and starch were also detected. The graphical representation of DOSY (1)H NMR results proved very useful for establishing similarities among groups of samples, enabling counterfeit drug "chemotyping". In addition to bulk- and surface-average analyses, spatially resolved information on the surface composition of counterfeit and genuine antimalarial formulations was obtained using DESI MS that was performed in the imaging mode, which enabled one to visualize the homogeneity of both genuine and counterfeit drug samples. Overall, this study suggests that 2D DOSY (1)H NMR, combined with ambient MS, comprises a powerful suite of instrumental analysis methodologies for the integral characterization of counterfeit antimalarials.

  15. A combination of directing groups and chiral anion phase-transfer catalysis for enantioselective fluorination of alkenes

    PubMed Central

    Wu, Jeffrey; Wang, Yi-Ming; Drljevic, Amela; Rauniyar, Vivek; Phipps, Robert J.; Toste, F. Dean

    2013-01-01

    We report a catalytic enantioselective electrophilic fluorination of alkenes to form tertiary and quaternary C(sp3)-F bonds and generate β-amino- and β-aryl-allylic fluorides. The reaction takes advantage of the ability of chiral phosphate anions to serve as solid–liquid phase transfer catalysts and hydrogen bond with directing groups on the substrate. A variety of heterocyclic, carbocyclic, and acyclic alkenes react with good to excellent yields and high enantioselectivities. Further, we demonstrate a one-pot, tandem dihalogenation–cyclization reaction, using the same catalytic system twice in series, with an analogous electrophilic brominating reagent in the second step. PMID:23922394

  16. Dimensional Duality

    SciTech Connect

    Green, Daniel; Lawrence, Albion; McGreevy, John; Morrison, David R.; Silverstein, Eva; /SLAC /Stanford U., Phys. Dept.

    2007-05-18

    We show that string theory on a compact negatively curved manifold, preserving a U(1)b1 winding symmetry, grows at least b1 new effective dimensions as the space shrinks. The winding currents yield a ''D-dual'' description of a Riemann surface of genus h in terms of its 2h dimensional Jacobian torus, perturbed by a closed string tachyon arising as a potential energy term in the worldsheet sigma model. D-branes on such negatively curved manifolds also reveal this structure, with a classical moduli space consisting of a b{sub 1}-torus. In particular, we present an AdS/CFT system which offers a non-perturbative formulation of such supercritical backgrounds. Finally, we discuss generalizations of this new string duality.

  17. Three-dimensional metamaterials

    SciTech Connect

    Burckel, David Bruce

    2012-06-12

    A fabrication method is capable of creating canonical metamaterial structures arrayed in a three-dimensional geometry. The method uses a membrane suspended over a cavity with predefined pattern as a directional evaporation mask. Metallic and/or dielectric material can be evaporated at high vacuum through the patterned membrane to deposit resonator structures on the interior walls of the cavity, thereby providing a unit cell of micron-scale dimension. The method can produce volumetric metamaterial structures comprising layers of such unit cells of resonator structures.

  18. Two dimensional vernier

    NASA Technical Reports Server (NTRS)

    Juday, Richard D. (Inventor)

    1992-01-01

    A two-dimensional vernier scale is disclosed utilizing a cartesian grid on one plate member with a polar grid on an overlying transparent plate member. The polar grid has multiple concentric circles at a fractional spacing of the spacing of the cartesian grid lines. By locating the center of the polar grid on a location on the cartesian grid, interpolation can be made of both the X and Y fractional relationship to the cartesian grid by noting which circles coincide with a cartesian grid line for the X and Y direction.

  19. Highly directional thermal emitter

    SciTech Connect

    Ribaudo, Troy; Shaner, Eric A; Davids, Paul; Peters, David W

    2015-03-24

    A highly directional thermal emitter device comprises a two-dimensional periodic array of heavily doped semiconductor structures on a surface of a substrate. The array provides a highly directional thermal emission at a peak wavelength between 3 and 15 microns when the array is heated. For example, highly doped silicon (HDSi) with a plasma frequency in the mid-wave infrared was used to fabricate nearly perfect absorbing two-dimensional gratings structures that function as highly directional thermal radiators. The absorption and emission characteristics of the HDSi devices possessed a high degree of angular dependence for infrared absorption in the 10-12 micron range, while maintaining high reflectivity of solar radiation (.about.64%) at large incidence angles.

  20. Three dimensional colorimetric assay assemblies

    SciTech Connect

    Charych, D.; Reichart, A.

    2000-06-27

    A direct assay is described using novel three-dimensional polymeric assemblies which change from a blue to red color when exposed to an analyte, in one case a flu virus. The assemblies are typically in the form of liposomes which can be maintained in a suspension, and show great intensity in their color changes. Their method of production is also described.

  1. Three dimensional colorimetric assay assemblies

    DOEpatents

    Charych, Deborah; Reichart, Anke

    2000-01-01

    A direct assay is described using novel three-dimensional polymeric assemblies which change from a blue to red color when exposed to an analyte, in one case a flu virus. The assemblies are typically in the form of liposomes which can be maintained in a suspension, and show great intensity in their color changes. Their method of production is also described.

  2. Three dimensional identification card and applications

    NASA Astrophysics Data System (ADS)

    Zhou, Changhe; Wang, Shaoqing; Li, Chao; Li, Hao; Liu, Zhao

    2016-10-01

    Three dimensional Identification Card, with its three-dimensional personal image displayed and stored for personal identification, is supposed be the advanced version of the present two-dimensional identification card in the future [1]. Three dimensional Identification Card means that there are three-dimensional optical techniques are used, the personal image on ID card is displayed to be three-dimensional, so we can see three dimensional personal face. The ID card also stores the three-dimensional face information in its inside electronics chip, which might be recorded by using two-channel cameras, and it can be displayed in computer as three-dimensional images for personal identification. Three-dimensional ID card might be one interesting direction to update the present two-dimensional card in the future. Three-dimension ID card might be widely used in airport custom, entrance of hotel, school, university, as passport for on-line banking, registration of on-line game, etc...

  3. Directed HK propagator.

    PubMed

    Kocia, Lucas; Heller, Eric J

    2015-09-28

    We offer a more formal justification for the successes of our recently communicated "directed Heller-Herman-Kluk-Kay" (DHK) time propagator by examining its performance in one-dimensional bound systems which exhibit at least quasi-periodic motion. DHK is distinguished by its single one-dimensional integral--a vast simplification over the usual 2N-dimensional integral in full Heller-Herman-Kluk-Kay (for an N-dimensional system). We find that DHK accurately captures particular coherent state autocorrelations when its single integral is chosen to lie along these states' fastest growing manifold, as long as it is not perpendicular to their action gradient. Moreover, the larger the action gradient, the better DHK will perform. We numerically examine DHK's accuracy in a one-dimensional quartic oscillator and illustrate that these conditions are frequently satisfied such that the method performs well. This lends some explanation for why DHK frequently seems to work so well and suggests that it may be applicable to systems exhibiting quite strong anharmonicity.

  4. Directed HK propagator

    NASA Astrophysics Data System (ADS)

    Kocia, Lucas; Heller, Eric J.

    2015-09-01

    We offer a more formal justification for the successes of our recently communicated "directed Heller-Herman-Kluk-Kay" (DHK) time propagator by examining its performance in one-dimensional bound systems which exhibit at least quasi-periodic motion. DHK is distinguished by its single one-dimensional integral—a vast simplification over the usual 2N-dimensional integral in full Heller-Herman-Kluk-Kay (for an N-dimensional system). We find that DHK accurately captures particular coherent state autocorrelations when its single integral is chosen to lie along these states' fastest growing manifold, as long as it is not perpendicular to their action gradient. Moreover, the larger the action gradient, the better DHK will perform. We numerically examine DHK's accuracy in a one-dimensional quartic oscillator and illustrate that these conditions are frequently satisfied such that the method performs well. This lends some explanation for why DHK frequently seems to work so well and suggests that it may be applicable to systems exhibiting quite strong anharmonicity.

  5. Transition from a Two-Dimensional Superfluid to a One-Dimensional Mott Insulator

    SciTech Connect

    Bergkvist, Sara; Rosengren, Anders; Saers, Robert; Lundh, Emil; Rehn, Magnus; Kastberg, Anders

    2007-09-14

    A two-dimensional system of atoms in an anisotropic optical lattice is studied theoretically. If the system is finite in one direction, it is shown to exhibit a transition between a two-dimensional superfluid and a one-dimensional Mott insulating chain of superfluid tubes. Monte Carlo simulations are consistent with the expectation that the phase transition is of Kosterlitz-Thouless type. The effect of the transition on experimental time-of-flight images is discussed.

  6. Comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry in the identification of organic compounds in atmospheric aerosols from coniferous forest.

    PubMed

    Kallio, Minna; Jussila, Matti; Rissanen, Taija; Anttila, Piia; Hartonen, Kari; Reissell, Anni; Vreuls, René; Adahchour, Mohamed; Hyötyläinen, Tuulia

    2006-09-01

    Comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (GC x GC-TOF-MS) was applied in the identification of organic compounds in atmospheric aerosols from coniferous forest. The samples were collected at Hyytiälä, Finland, as part of the QUEST campaign, in Spring 2003. Manual and automated search procedures were compared in the identification. An automated procedure is preferable when a large number of data files need to be processed; but manual search was more accurate with the present samples, where the number of compounds was large and most of the compounds of interest were present at trace level. Altogether, about 50 compounds were identified on the basis of mass spectra and linear retention indices. The identified compounds included oxidised monoterpenes, acyclic alkanes, alkenes, ketones and aldehydes, as well as a few alcohols, acids, and aromatic compounds.

  7. Two-Dimensional Potential Flows

    NASA Technical Reports Server (NTRS)

    Schaefer, Manfred; Tollmien, W.

    1949-01-01

    Contents include the following: Characteristic differential equations - initial and boundary conditions. Integration of the second characteristic differential equations. Direct application of Meyer's characteristic hodograph table for construction of two-dimensional potential flows. Prandtl-Busemann method. Development of the pressure variation for small deflection angles. Numerical table: relation between deflection, pressure, velocity, mach number and mach angle for isentropic changes of state according to Prandtl-Meyer for air (k = 1.405). References.

  8. Structural investigation into the steric control of polyether complexation in the lanthanide series: Macrocyclic 18-crown-6 versus acyclic pentaethylene glycol

    SciTech Connect

    Rogers, R.D.; Rollins, A.N.; Etzenhouser, R.D.; Voss, E.J.; Bauer, C.B. )

    1993-08-04

    The complexation reactions of MCl[sub 3][center dot]nH[sub 2]O (M = Y, La-Pr, Sm-Lu) with pentaethylene glycol (EO5) and MCl[sub 3][center dot]nH[sub 2]O (M = La, Ce, Pr, Eu, Gd) with 18-crown-6 in 1:1 molar ratios in 3:1 CH[sub 3]CN:CH[sub 3]OH were investigated. X-ray structural analysis of 21 crystalline complexes were carried out. Comparison of all the crystalline complexes studied reveals that polyethylene glycols exhibit a helical wrapping pattern around the lanthanide ions, while the crown ethers attempt to fold around these cations. This feature of polyether complexation of the lanthanide(III) chlorides may be responsible for the ready isolation of EO5 complexes for all lanthanides and the lack of direct coordination of 18-crown-6 past M = Tb in normal 1:1 complexation reactions.

  9. Evaluation of novel acyclic nucleoside phosphonates against human and animal gammaherpesviruses revealed an altered metabolism of cyclic prodrugs upon Epstein-Barr virus reactivation in P3HR-1 cells.

    PubMed

    Coen, Natacha; Duraffour, Sophie; Naesens, Lieve; Krecmerová, Marcela; Van den Oord, Joost; Snoeck, Robert; Andrei, Graciela

    2013-11-01

    Acyclic nucleoside phosphonates (ANPs), such as (S)-1-[(3-hydroxy-2-phosphonomethoxy)propyl)]cytosine (HPMPC), are an important group of broad-spectrum antiviral agents with activity against DNA viruses. In this report, we present the in vitro potencies of novel ANPs against gammaherpesviruses, including Kaposi's sarcoma-associated herpesvirus, Epstein-Barr virus (EBV), and three animal gammaherpesviruses. 1-(S)-[3-hydroxy-2-(phosphonomethoxy)propyl]-5-azacytosine (HPMP-5-azaC), (S)-9-[3-hydroxy-2-(phosphonomethoxy)propyl]-3-deazaadenine (3-deaza-HPMPA), and their cyclic derivatives have emerged as highly potent antigammaherpesvirus agents. Interestingly, cyclic prodrugs of ANPs exhibited reduced activities against EBV strain P3HR-1, but not against EBV strain Akata. Cell culture metabolism studies with HPMPC and cyclic HPMPC revealed that these differences were attributable to an altered drug metabolism in P3HR-1 cells after EBV reactivation and, more specifically, to a reduced hydrolysis of cyclic HPMPC by cyclic CMP phosphodiesterase. We did not correlate this effect with phosphodiesterase downregulation, or to functional mutations. Instead, altered cyclic AMP levels in P3HR-1 cells indicated a competitive inhibition of the phosphodiesterase by this cyclic nucleotide. Finally, both HPMPC and HPMP-5-azaC emerged as highly effective inhibitors in vivo through significant inhibition of murine gammaherpesvirus replication and dissemination. With the current need for potent antigammaherpesvirus agents, our findings underline the requirement of appropriate surrogate viruses for antiviral susceptibility testing and highlight HPMP-5-azaC as a promising compound for future clinical development.

  10. Validation of three-dimensional incompressible spatial direct numerical simulation code: A comparison with linear stability and parabolic stability equation theories for boundary-layer transition on a flat plate

    NASA Technical Reports Server (NTRS)

    Joslin, Ronald D.; Streett, Craig L.; Chang, Chau-Lyan

    1992-01-01

    Spatially evolving instabilities in a boundary layer on a flat plate are computed by direct numerical simulation (DNS) of the incompressible Navier-Stokes equations. In a truncated physical domain, a nonstaggered mesh is used for the grid. A Chebyshev-collocation method is used normal to the wall; finite difference and compact difference methods are used in the streamwise direction; and a Fourier series is used in the spanwise direction. For time stepping, implicit Crank-Nicolson and explicit Runge-Kutta schemes are used to the time-splitting method. The influence-matrix technique is used to solve the pressure equation. At the outflow boundary, the buffer-domain technique is used to prevent convective wave reflection or upstream propagation of information from the boundary. Results of the DNS are compared with those from both linear stability theory (LST) and parabolized stability equation (PSE) theory. Computed disturbance amplitudes and phases are in very good agreement with those of LST (for small inflow disturbance amplitudes). A measure of the sensitivity of the inflow condition is demonstrated with both LST and PSE theory used to approximate inflows. Although the DNS numerics are very different than those of PSE theory, the results are in good agreement. A small discrepancy in the results that does occur is likely a result of the variation in PSE boundary condition treatment in the far field. Finally, a small-amplitude wave triad is forced at the inflow, and simulation results are compared with those of LST. Again, very good agreement is found between DNS and LST results for the 3-D simulations, the implication being that the disturbance amplitudes are sufficiently small that nonlinear interactions are negligible.

  11. Direct Manipulation in Virtual Reality

    NASA Technical Reports Server (NTRS)

    Bryson, Steve

    2003-01-01

    Virtual Reality interfaces offer several advantages for scientific visualization such as the ability to perceive three-dimensional data structures in a natural way. The focus of this chapter is direct manipulation, the ability for a user in virtual reality to control objects in the virtual environment in a direct and natural way, much as objects are manipulated in the real world. Direct manipulation provides many advantages for the exploration of complex, multi-dimensional data sets, by allowing the investigator the ability to intuitively explore the data environment. Because direct manipulation is essentially a control interface, it is better suited for the exploration and analysis of a data set than for the publishing or communication of features found in that data set. Thus direct manipulation is most relevant to the analysis of complex data that fills a volume of three-dimensional space, such as a fluid flow data set. Direct manipulation allows the intuitive exploration of that data, which facilitates the discovery of data features that would be difficult to find using more conventional visualization methods. Using a direct manipulation interface in virtual reality, an investigator can, for example, move a data probe about in space, watching the results and getting a sense of how the data varies within its spatial volume.

  12. Factorizations of one-dimensional classical systems

    SciTech Connect

    Kuru, Senguel; Negro, Javier

    2008-02-15

    A class of one-dimensional classical systems is characterized from an algebraic point of view. The Hamiltonians of these systems are factorized in terms of two functions that together with the Hamiltonian itself close a Poisson algebra. These two functions lead directly to two time-dependent integrals of motion from which the phase motions are derived algebraically. The systems so obtained constitute the classical analogues of the well known factorizable one-dimensional quantum mechanical systems.

  13. Direct cooled power electronics substrate

    DOEpatents

    Wiles, Randy H [Powell, TN; Wereszczak, Andrew A [Oak Ridge, TN; Ayers, Curtis W [Kingston, TN; Lowe, Kirk T [Knoxville, TN

    2010-09-14

    The disclosure describes directly cooling a three-dimensional, direct metallization (DM) layer in a power electronics device. To enable sufficient cooling, coolant flow channels are formed within the ceramic substrate. The direct metallization layer (typically copper) may be bonded to the ceramic substrate, and semiconductor chips (such as IGBT and diodes) may be soldered or sintered onto the direct metallization layer to form a power electronics module. Multiple modules may be attached to cooling headers that provide in-flow and out-flow of coolant through the channels in the ceramic substrate. The modules and cooling header assembly are preferably sized to fit inside the core of a toroidal shaped capacitor.

  14. On dimensional reduction of magical supergravity theories

    NASA Astrophysics Data System (ADS)

    Kan, Naoto; Mizoguchi, Shun'ya

    2016-11-01

    We prove, by a direct dimensional reduction and an explicit construction of the group manifold, that the nonlinear sigma model of the dimensionally reduced three-dimensional A = R magical supergravity is F 4 (+ 4) / (USp (6) × SU (2)). This serves as a basis for the solution generating technique in this supergravity as well as allows to give the Lie algebraic characterizations to some of the parameters and functions in the original D = 5 Lagrangian. Generalizations to other magical supergravities are also discussed.

  15. Low-dimensional chaos in turbulence

    NASA Technical Reports Server (NTRS)

    Vastano, John A.

    1989-01-01

    Direct numerical simulations are being performed on two different fluid flows in an attempt to discover the mechanism underlying the transition to turbulence in each. The first system is Taylor-Couette flow; the second, two-dimensional flow over an airfoil. Both flows exhibit a gradual transition to high-dimensional turbulence through low-dimensional chaos. The hope is that the instabilities leading to chaos will be easier to relate to physical processes in this case, and that the understanding of these mechanisms can then be applied to a wider array of turbulent systems.

  16. Self Directed Learning and Self Management. Symposium.

    ERIC Educational Resources Information Center

    2002

    This document contains three papers from a symposium on self-directed learning and self-management. "Validating a More-Dimensional Conception of Self-Directed Learning" (Gerald A. Straka, Cornelia Schaefer) discusses the development and validation of a conception of self-directed learning as a dynamic interplay between behavior,…

  17. Directing 101.

    ERIC Educational Resources Information Center

    Pintoff, Ernest

    Providing an introduction to anyone considering directing as a field of study or career, this book takes a broad look at the process of directing and encourages students and professionals alike to look outside of the movie industry for inspiration. Chapters in the book discuss selecting and acquiring material; budgeting and financing; casting and…

  18. Three-dimensional in vivo analysis of Dictyostelium mounds reveals directional sorting of prestalk cells and defines a role for the myosin II regulatory light chain in prestalk cell sorting and tip protrusion.

    PubMed

    Clow, P A; Chen, T; Chisholm, R L; McNally, J G

    2000-06-01

    During cell sorting in Dictyostelium, we observed that GFP-tagged prestalk cells (ecmAO-expressing cells) moved independently and directionally to form a cluster. This is consistent with a chemotaxis model for cell sorting (and not differential adhesion) in which a long-range signal attracts many of the prestalk cells to the site of cluster formation. Surprisingly, the ecmAO prestalk cluster that we observed was initially found at a random location within the mound of this Ax3 strain, defining an intermediate sorting stage not widely reported in Dictyostelium. The cluster then moved en masse to the top of the mound to produce the classic, apical pattern of ecmAO prestalk cells. Migration of the cluster was also directional, suggesting the presence of another long-range guidance cue. Once at the mound apex, the cluster continued moving upward leading to protrusion of the mound's tip. To investigate the role of the cluster in tip protrusion, we examined ecmAO prestalk-cell sorting in a myosin II regulatory light chain (RLC) null in which tips fail to form. In RLC-null mounds, ecmAO prestalk cells formed an initial cluster that began to move to the mound apex, but then arrested as a vertical column that extended from the mound's apex to its base. Mixing experiments with wild-type cells demonstrated that the RLC-null ecmAO prestalk-cell defect is cell autonomous. These observations define a specific mechanism for myosin's function in tip formation, namely a mechanical role in the upward movement of the ecmAO prestalk cluster. The wild-type data demonstrate that cell sorting can occur in two steps, suggesting that, in this Ax3 strain, spatially and temporally distinct cues may guide prestalk cells first to an initial cluster and then later to the tip.

  19. Direct Measurement of Intracellular Pressure

    PubMed Central

    Petrie, Ryan J.; Koo, Hyun

    2014-01-01

    A method to directly measure the intracellular pressure of adherent, migrating cells is described in the Basic Protocol. This approach is based on the servo-null method where a microelectrode is introduced into the cell to directly measure the physical pressure of the cytoplasm. We also describe the initial calibration of the microelectrode as well as the application of the method to cells migrating inside three-dimensional (3D) extracellular matrix (ECM). PMID:24894836

  20. Holographic direct pulsed laser writing of two-dimensional nanostructures† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6ra22241b Click here for additional data file.

    PubMed Central

    AlQattan, Bader; Sabouri, Aydin; Yetisen, Ali K.; Ahmed, Rajib; Mahmoodi, Nasim

    2016-01-01

    The development of accurate and rapid techniques to produce nanophotonic structures is essential in data storage, sensors, and spectroscopy. Existing bottom-up and top-down approaches to fabricate nanophotonic devices are high cost and time consuming, limiting their mass manufacturing and practical applications. Here, we demonstrate a strategy to rapidly create 25–40 nm thick 1/2D Au–Ti nanopatterns using holographic direct laser interference patterning (DLIP). Pulses of an Nd:YAG laser (1064 nm) in holographic Denisyuk reflection mode were used to create ablative interference fringes. The constructive interference antinode regions of the standing wave selectively ablated a Au–Ti layer in localized regions to controllably form nanogratings. Varying the laser exposure parameters allowed for rapid patterning of 2D square and rectangular arrays within seconds. Controlling the distances between the laser source, recording medium, and the object, allowed for achieving a 2D spatial grating periodicity of 640 nm × 640 nm. Diffracted and transmitted light spectra of 2D nanostructure arrays were analyzed using angle-resolved measurements and spectroscopy. PMID:28066547

  1. Simple Two-Dimensional Corrections for One-Dimensional Pulse Tube Models

    NASA Technical Reports Server (NTRS)

    Lee, J. M.; Kittel, P.; Timmerhaus, K. D.; Radebaugh, R.

    2004-01-01

    One-dimensional oscillating flow models are very useful for designing pulse tubes. They are simple to use, not computationally intensive, and the physical relationship between temperature, pressure and mass flow are easy to understand when used in conjunction with phasor diagrams. They do not possess, however, the ability to directly calculate thermal and momentum diffusion in the direction transverse to the oscillating flow. To account for transverse effects, lumped parameter corrections, which are obtained though experiment, must be used. Or two-dimensional solutions of the differential fluid equations must be obtained. A linear two-dimensional solution to the fluid equations has been obtained. The solution provides lumped parameter corrections for one-dimensional models. The model accounts for heat transfer and shear flow between the gas and the tube. The complex Nusselt number and complex shear wall are useful in describing these corrections, with phase relations and amplitudes scaled with the Prandtl and Valensi numbers. The calculated ratio, a, between a two-dimensional solution of the oscillating temperature and velocity and a one-dimensional solution for the same shows a scales linearly with Va for Va less than 30. In this region alpha less than 0.5, that is, the enthalpy flow calculated with a two-dimensional model is 50% of a calculation using a one-dimensional model. For Va greater than 250, alpha = 0.8, showing that diffusion is still important even when it is confined to a thing layer near the tube wall.

  2. Uniform Deterministic Discrete Method for three dimensional systems

    NASA Astrophysics Data System (ADS)

    Li, Ben-Wen; Tao, Wen-Quan; Nie, Yu-Hong

    1997-06-01

    For radiative direct exchange areas in three dimensional system, the Uniform Deterministic Discrete Method (UDDM) was adopted. The spherical surface dividing method for sending area element and the regular icosahedron for sending volume element can meet with the direct exchange area computation of any kind of zone pairs. The numerical examples of direct exchange area in three dimensional system with nonhomogeneous attenuation coefficients indicated that the UDDM can give very high numerical accuracy.

  3. Direction sensitive neutron detector

    DOEpatents

    Ahlen, Steven; Fisher, Peter; Dujmic, Denis; Wellenstein, Hermann F.; Inglis, Andrew

    2017-01-31

    A neutron detector includes a pressure vessel, an electrically conductive field cage assembly within the pressure vessel and an imaging subsystem. A pressurized gas mixture of CF.sub.4, .sup.3He and .sup.4He at respective partial pressures is used. The field cage establishes a relatively large drift region of low field strength, in which ionization electrons generated by neutron-He interactions are directed toward a substantially smaller amplification region of substantially higher field strength in which the ionization electrons undergo avalanche multiplication resulting in scintillation of the CF.sub.4 along scintillation tracks. The imaging system generates two-dimensional images of the scintillation patterns and employs track-finding to identify tracks and deduce the rate and direction of incident neutrons. One or more photo-multiplier tubes record the time-profile of the scintillation tracks permitting the determination of the third coordinate.

  4. Three-dimensional direct simulation Monte-Carlo modeling of the coma of comet 67P/Churyumov-Gerasimenko observed by the VIRTIS and ROSINA instruments on board Rosetta

    NASA Astrophysics Data System (ADS)

    Fougere, N.; Altwegg, K.; Berthelier, J.-J.; Bieler, A.; Bockelée-Morvan, D.; Calmonte, U.; Capaccioni, F.; Combi, M. R.; De Keyser, J.; Debout, V.; Erard, S.; Fiethe, B.; Filacchione, G.; Fink, U.; Fuselier, S. A.; Gombosi, T. I.; Hansen, K. C.; Hässig, M.; Huang, Z.; Le Roy, L.; Leyrat, C.; Migliorini, A.; Piccioni, G.; Rinaldi, G.; Rubin, M.; Shou, Y.; Tenishev, V.; Toth, G.; Tzou, C.-Y.

    2016-04-01

    Context. Since its rendezvous with comet 67P/Churyumov-Gerasimenko (67P), the Rosetta spacecraft has provided invaluable information contributing to our understanding of the cometary environment. On board, the VIRTIS and ROSINA instruments can both measure gas parameters in the rarefied cometary atmosphere, the so-called coma, and provide complementary results with remote sensing and in situ measurement techniques, respectively. The data from both ROSINA and VIRTIS instruments suggest that the source regions of H2O and CO2 are not uniformly distributed over the surface of the nucleus even after accounting for the changing solar illumination of the irregularly shaped rotating nucleus. The source regions of H2O and CO2 are also relatively different from one another. Aims: The use of a combination of a formal numerical data inversion method with a fully kinetic coma model is a way to correlate and interpret the information provided by these two instruments to fully understand the volatile environment and activity of comet 67P. Methods: In this work, the nonuniformity of the outgassing activity at the surface of the nucleus is described by spherical harmonics and constrained by ROSINA-DFMS data. This activity distribution is coupled with the local illumination to describe the inner boundary conditions of a 3D direct simulation Monte-Carlo (DSMC) approach using the Adaptive Mesh Particle Simulator (AMPS) code applied to the H2O and CO2 coma of comet 67P. Results: We obtain activity distribution of H2O and CO2 showing a dominant source of H2O in the Hapi region, while more CO2 is produced in the southern hemisphere. The resulting model outputs are analyzed and compared with VIRTIS-M/-H and ROSINA-DFMS measurements, showing much better agreement between model and data than a simpler model assuming a uniform surface activity. The evolution of the H2O and CO2 production rates with heliocentric distance are derived accurately from the coma model showing agreement between the

  5. Bayesian supervised dimensionality reduction.

    PubMed

    Gönen, Mehmet

    2013-12-01

    Dimensionality reduction is commonly used as a preprocessing step before training a supervised learner. However, coupled training of dimensionality reduction and supervised learning steps may improve the prediction performance. In this paper, we introduce a simple and novel Bayesian supervised dimensionality reduction method that combines linear dimensionality reduction and linear supervised learning in a principled way. We present both Gibbs sampling and variational approximation approaches to learn the proposed probabilistic model for multiclass classification. We also extend our formulation toward model selection using automatic relevance determination in order to find the intrinsic dimensionality. Classification experiments on three benchmark data sets show that the new model significantly outperforms seven baseline linear dimensionality reduction algorithms on very low dimensions in terms of generalization performance on test data. The proposed model also obtains the best results on an image recognition task in terms of classification and retrieval performances.

  6. Dinuclear cadmium(II), zinc(II), and manganese(II), trinuclear nickel(II), and pentanuclear copper(II) complexes with novel macrocyclic and acyclic Schiff-base ligands having enantiopure or racemic camphoric diamine components.

    PubMed

    Jiang, Jue-Chao; Chu, Zhao-Lian; Huang, Wei; Wang, Gang; You, Xiao-Zeng

    2010-07-05

    Four novel [3 + 3] Schiff-base macrocyclic ligands I-IV condensed from 2,6-diformyl-4-substituted phenols (R = CH(3) or Cl) and enantiopure or racemic camphoric diamines have been synthesized and characterized. Metal-ion complexations of these enantiopure and racemic [3 + 3] macrocyclic ligands with different cadmium(II), zinc(II), manganese(II), nickel(II), and copper(II) salts lead to the cleavage of Schiff-base C horizontal lineN double bonds and subsequent ring contraction of the macrocyclic ligands due to the size effects and the spatial restrictions of the coordination geometry of the central metals, the steric hindrance of ligands, and the counterions used. As a result, five [2 + 2] and one [1 + 2] dinuclear cadmium(II) complexes (1-6), two [2 + 2] dinuclear zinc(II) (7 and 8), and two [2 + 2] dinuclear manganese(II) (9 and 10) complexes together with one [1 + 1] trinuclear nickel(II) complex (11) and one [1 + 2] pentanuclear copper(II) complex (12), bearing enantiopure or racemic ligands, different substituent groups in the phenyl rings, and different anionic ligands (Cl(-), Br(-), OAc(-), and SCN(-)), have been obtained in which the chiral carbon atoms in the camphoric backbones are arranged in different ways (RRSS for the enantiopure ligands in 1, 2, 4, 5, and 7-10 and RSRS for the racemic ligands in 3, 6, 11, and 12). The steric hindrance effects of the methyl group bonded to one of the chiral carbon atoms of camphoric diamine units are believed to play important roles in the formation of the acyclic [1 + 1] trinuclear complex 11 and [1 + 2] dinuclear and pentanuclear complexes 6 and 12. In dinuclear cadmium(II), zinc(II), and manganese(II) complexes 1-10, the sequence of separations between the metal centers is consistent with that of the ionic radii shortened from cadmium(II) to manganese(II) to zinc(II) ions. Furthermore, UV-vis, circular dichroism, (1)H NMR, and fluorescence spectra have been used to characterize and compare the structural

  7. On the relationship between deterministic and probabilistic directed Graphical models: from Bayesian networks to recursive neural networks.

    PubMed

    Baldi, Pierre; Rosen-Zvi, Michal

    2005-10-01

    Machine learning methods that can handle variable-size structured data such as sequences and graphs include Bayesian networks (BNs) and Recursive Neural Networks (RNNs). In both classes of models, the data is modeled using a set of observed and hidden variables associated with the nodes of a directed acyclic graph. In BNs, the conditional relationships between parent and child variables are probabilistic, whereas in RNNs they are deterministic and parameterized by neural networks. Here, we study the formal relationship between both classes of models and show that when the source nodes variables are observed, RNNs can be viewed as limits, both in distribution and probability, of BNs with local conditional distributions that have vanishing covariance matrices and converge to delta functions. Conditions for uniform convergence are also given together with an analysis of the behavior and exactness of Belief Propagation (BP) in 'deterministic' BNs. Implications for the design of mixed architectures and the corresponding inference algorithms are briefly discussed.

  8. Wavelet Characterizations of Multi-Directional Regularity

    NASA Astrophysics Data System (ADS)

    Slimane, Mourad Ben

    2011-05-01

    The study of d dimensional traces of functions of m several variables leads to directional behaviors. The purpose of this paper is two-fold. Firstly, we extend the notion of one direction pointwise Hölder regularity introduced by Jaffard to multi-directions. Secondly, we characterize multi-directional pointwise regularity by Triebel anisotropic wavelet coefficients (resp. leaders), and also by Calderón anisotropic continuous wavelet transform.

  9. Two-dimensional plasmonic nanosurface for photovoltaics

    NASA Astrophysics Data System (ADS)

    Polemi, Alessia; Shuford, Kevin L.

    2011-12-01

    In this paper, we investigate a two-dimensional corrugated plasmonic nanosurface for efficient light trapping in a photovoltaic cell. Inspired by a well-known one-dimensional grating nanosurface, the present configuration is composed of two perpendicular gratings in the metal film that intersect to yield cross-shaped nanoelements. The surface corrugation is then covered by a silicon film. An additional degree of freedom can be introduced into the design by interrupting the grid in both directions. We show that this extra spacing between the array elements can be used to tune the absorption properties of the nanosurface. By including the effect of the solar spectrum, we demonstrate how this two-dimensional configuration is more efficient than its one-dimensional counterpart in terms of the actual short circuit photocurrent density. Finally, we propose possible extensions of this structure design, which can further enhance the solar cell performance.

  10. Direct Instruction.

    ERIC Educational Resources Information Center

    Education Commission of the States, Denver, CO.

    This paper provides an overview of Direct Instruction, an intensive instructional method for grades K-6 based on the theory that learning can be greatly accelerated if instructional presentations are clear, rule out likely misinterpretations and facilitate generalizations. Over 50 instructional programs have been developed based on this…

  11. Three dimensional strained semiconductors

    DOEpatents

    Voss, Lars; Conway, Adam; Nikolic, Rebecca J.; Leao, Cedric Rocha; Shao, Qinghui

    2016-11-08

    In one embodiment, an apparatus includes a three dimensional structure comprising a semiconductor material, and at least one thin film in contact with at least one exterior surface of the three dimensional structure for inducing a strain in the structure, the thin film being characterized as providing at least one of: an induced strain of at least 0.05%, and an induced strain in at least 5% of a volume of the three dimensional structure. In another embodiment, a method includes forming a three dimensional structure comprising a semiconductor material, and depositing at least one thin film on at least one surface of the three dimensional structure for inducing a strain in the structure, the thin film being characterized as providing at least one of: an induced strain of at least 0.05%, and an induced strain in at least 5% of a volume of the structure.

  12. Three-dimensional chiral photonic superlattices.

    PubMed

    Thiel, M; Fischer, H; von Freymann, G; Wegener, M

    2010-01-15

    We investigate three-dimensional photonic superlattices composed of polymeric helices in various spatial checkerboard-like arrangements. Depending on the relative phase shift and handedness of the chiral building blocks, different circular-dichroism resonances appear or are suppressed. Samples corresponding to four different configurations are fabricated by direct laser writing. The measured optical transmittance spectra are in good agreement with numerical calculations.

  13. Three-dimensional colorimetric assay assemblies

    DOEpatents

    Charych, Deborah; Reichert, Anke

    2001-01-01

    A direct assay is described using novel three-dimensional polymeric assemblies which change from a blue to red color when exposed to an analyte, in one case a flue virus. The assemblies are typically in the form of liposomes which can be maintained in a suspension, and show great intensity in their color changes. Their method of production is also described.

  14. Dimensionality reduction of collective motion by principal manifolds

    NASA Astrophysics Data System (ADS)

    Gajamannage, Kelum; Butail, Sachit; Porfiri, Maurizio; Bollt, Erik M.

    2015-01-01

    While the existence of low-dimensional embedding manifolds has been shown in patterns of collective motion, the current battery of nonlinear dimensionality reduction methods is not amenable to the analysis of such manifolds. This is mainly due to the necessary spectral decomposition step, which limits control over the mapping from the original high-dimensional space to the embedding space. Here, we propose an alternative approach that demands a two-dimensional embedding which topologically summarizes the high-dimensional data. In this sense, our approach is closely related to the construction of one-dimensional principal curves that minimize orthogonal error to data points subject to smoothness constraints. Specifically, we construct a two-dimensional principal manifold directly in the high-dimensional space using cubic smoothing splines, and define the embedding coordinates in terms of geodesic distances. Thus, the mapping from the high-dimensional data to the manifold is defined in terms of local coordinates. Through representative examples, we show that compared to existing nonlinear dimensionality reduction methods, the principal manifold retains the original structure even in noisy and sparse datasets. The principal manifold finding algorithm is applied to configurations obtained from a dynamical system of multiple agents simulating a complex maneuver called predator mobbing, and the resulting two-dimensional embedding is compared with that of a well-established nonlinear dimensionality reduction method.

  15. Direct ELISA.

    PubMed

    Lin, Alice V

    2015-01-01

    First described by Engvall and Perlmann, the enzyme-linked immunosorbent assay (ELISA) is a rapid and sensitive method for detection and quantitation of an antigen using an enzyme-labeled antibody. Besides routine laboratory usage, ELISA has been utilized in medical field and food industry as diagnostic and quality control tools. Traditionally performed in 96-well or 384-well polystyrene plates, the technology has expanded to other platforms with increase in automation. Depending on the antigen epitope and availability of specific antibody, there are variations in ELISA setup. The four basic formats are direct, indirect, sandwich, and competitive ELISAs. Direct ELISA is the simplest format requiring an antigen and an enzyme-conjugated antibody specific to the antigen. This chapter describes the individual steps for detection of a plate-bound antigen using a horseradish peroxidase (HRP)-conjugated antibody and luminol-based enhanced chemiluminescence (ECL) substrate. The methodological approach to optimize the assay by chessboard titration is also provided.

  16. The role of dimensionality in the decay of surface effects

    NASA Astrophysics Data System (ADS)

    Reuter, Matthew G.; Boffi, Nicholas M.; Ratner, Mark A.; Seideman, Tamar

    2013-02-01

    We computationally investigate the decay of surface effects in one-, two-, and three-dimensional materials using two-band tight-binding models. These general models facilitate a direct comparison between materials of differing dimensionality, which reveals that material dimensionality (not material-specific chemistry/physics) is the primary factor controlling the decay of surface effects. Our results corroborate more sophisticated, material-specific studies, finding that surface effects decay after ˜10, ˜25, and ≳ 100 layers in three-dimensional, two-dimensional, and one-dimensional materials, respectively. Physically, higher-dimensional materials screen surface effects more efficiently, as theoretically described by integration over each layer's Brillouin zone. Finally, we discuss several implications of these results.

  17. DIRECTIONAL COUPLERS

    DOEpatents

    Nigg, D.J.

    1961-12-01

    A directional coupler of small size is designed. Stripline conductors of non-rectilinear configuration, and separated from each other by a thin dielectric spacer. cross each other at least at two locations at right angles, thus providing practically pure capacitive coupling which substantially eliminates undesirable inductive coupling. The conductors are sandwiched between a pair of ground planes. The coupling factor is dependent only on the thickness and dielectric constant of the dielectric spacer at the point of conductor crossover. (AEC)

  18. DIRECTIONAL ANTENNA

    DOEpatents

    Bittner, B.J.

    1958-05-20

    A high-frequency directional antenna of the 360 d scaring type is described. The antenna has for its desirable features the reduction in both size and complexity of the mechanism for rotating the antenna through its scanning movement. These advantages result from the rotation of only the driven element, the reflector remaining stationary. The particular antenna structure comprises a refiector formed by a plurality of metallic slats arranged in the configuration of an annular cage having the shape of a zone of revolution. The slats are parallel to each other and are disposed at an angle of 45 d to the axis of the cage. A directional radiator is disposed inside the cage at an angle of 45 d to the axis of the cage in the same direction as the reflecting slats which it faces. As the radiator is rotated, the electromagnetic wave is reflected from the slats facing the radiator and thereafter passes through the cage on the opposite side, since these slats are not parallel with the E vector of the wave.

  19. Dimensional comparison theory.

    PubMed

    Möller, Jens; Marsh, Herb W

    2013-07-01

    Although social comparison (Festinger, 1954) and temporal comparison (Albert, 1977) theories are well established, dimensional comparison is a largely neglected yet influential process in self-evaluation. Dimensional comparison entails a single individual comparing his or her ability in a (target) domain with his or her ability in a standard domain (e.g., "How good am I in math compared with English?"). This article reviews empirical findings from introspective, path-analytic, and experimental studies on dimensional comparisons, categorized into 3 groups according to whether they address the "why," "with what," or "with what effect" question. As the corresponding research shows, dimensional comparisons are made in everyday life situations. They impact on domain-specific self-evaluations of abilities in both domains: Dimensional comparisons reduce self-concept in the worse off domain and increase self-concept in the better off domain. The motivational basis for dimensional comparisons, their integration with recent social cognitive approaches, and the interdependence of dimensional, temporal, and social comparisons are discussed.

  20. Three Dimensional Optical Metamaterials via Direct Laser Writing

    DTIC Science & Technology

    2013-03-01

    estimated to average 1 hour per response, including the time for reviewing instructions, searching existing data sources, gathering and maintaining the... data needed, and completing and reviewing the collection of information. Send comments regarding this burden estimate or any other aspect of this...Plasmonic nanorod metamaterials for biosensing. Nat.Mater. 2009, 8 (11), 867-871. 7. Gansel, J. K.; Thiel, M.; Rill, M. S.; Decker, M.; Bade , K

  1. Directed light fabrication

    SciTech Connect

    Lewis, G.K.; Nemec, R.; Milewski, J.; Thoma, D.J.; Cremers, D.; Barbe, M.

    1994-09-01

    Directed Light Fabrication (DLF) is a rapid prototyping process being developed at Los Alamos National Laboratory to fabricate metal components. This is done by fusing gas delivered metal powder particles in the focal zone of a laser beam that is, programmed to move along or across the part cross section. Fully dense metal is built up a layer at a time to form the desired part represented by a 3 dimensional solid model from CAD software. Machine ``tool paths`` are created from the solid model that command the movement and processing parameters specific to the DLF process so that the part can be built one layer at a time. The result is a fully dense, near net shape metal part that solidifies under rapid solidification conditions.

  2. Directed light fabrication

    NASA Astrophysics Data System (ADS)

    Lewis, G. K.; Nemec, R.; Milewski, J.; Thoma, D. J.; Cremers, D.; Barbe, M.

    1994-09-01

    Directed Light Fabrication (DLF) is a rapid prototyping process being developed at Los Alamos National Laboratory to fabricate metal components. This is done by fusing gas delivered metal powder particles in the focal zone of a laser beam that is programmed to move along or across the part cross section. Fully dense metal is built up a layer at a time to form the desired part represented by a 3 dimensional solid model from CAD software. Machine 'tool paths' are created from the solid model that command the movement and processing parameters specific to the DLF process so that the part can be built one layer at a time. The result is a fully dense, near net shape metal part that solidifies under rapid solidification conditions.

  3. Future direction of direct writing

    NASA Astrophysics Data System (ADS)

    Kim, Nam-Soo; Han, Kenneth N.

    2010-11-01

    Direct write technology using special inks consisting of finely dispersed metal nanoparticles in liquid is receiving an undivided attention in recent years for its wide range of applicability in modern electronic industry. The application of this technology covers radio frequency identification-tag (RFID-tag), flexible-electronics, organic light emitting diodes (OLED) display, e-paper, antenna, bumpers used in flip-chip, underfilling, frit, miniresistance applications and biological uses, artificial dental applications and many more. In this paper, the authors have reviewed various direct write technologies on the market and discussed their advantages and shortfalls. Emphasis has given on microdispensing deposition write (MDDW), maskless mesoscale materials deposition (M3D), and ink-jet technologies. All of these technologies allow printing various patterns without employing a mask or a resist with an enhanced speed with the aid of computer. MDDW and M3D are capable of drawing patterns in three-dimension and MDDW, in particular, is capable of writing nanoinks with high viscosity. However, it is still far away for direct write to be fully implemented in the commercial arena. One of the hurdles to overcome is in manufacturing conductive inks which are chemically and physically stable, capable of drawing patterns with acceptable conductivity, and also capable of drawing patterns with acceptable adhesiveness with the substrates. The authors have briefly discussed problems involved in manufacturing nanometal inks to be used in various writing devices. There are numerous factors to be considered in manufacturing such inks. They are reducing agents, concentrations, oxidation, compact ability allowing good conductivity, and stability in suspension.

  4. Dimensionality switching in molecule-based magnets.

    SciTech Connect

    Goddard, P. A.; Manson, J. L.; Singleton, J.; Franke, I.; Lancaster, T.; Steele, A. J.; Blundell, S. J.; Baines, C.; Pratt, F.; McDonald, R. D.; Valenzuela, O. A.; Sengupta, P.; Corbeyl, J. F.; Southerland, H. I.; Schlueter, J. A.

    2012-01-01

    Gaining control of the building blocks of magnetic materials and thereby achieving particular characteristics will make possible the design and growth of bespoke magnetic devices. While progress in the synthesis of molecular materials, and especially coordination polymers, represents a significant step towards this goal, the ability to tune the magnetic interactions within a particular framework remains in its infancy. Here we demonstrate a chemical method which achieves dimensionality selection via preferential inhibition of the magnetic exchange in an S=1/2 antiferromagnet along one crystal direction, switching the system from being quasi-two- to quasi-one-dimensional while effectively maintaining the nearest-neighbor coupling strength.

  5. Fabrication of three dimensional microstructure fiber

    NASA Astrophysics Data System (ADS)

    Luo, Ying; Ma, Jie; Chen, Zhe; Lu, Huihui; Zhong, Yongchun

    2015-05-01

    A method of fabricating three dimensional (3D) microstructured fiber is presented. Polystyrene (PS) microspheres were coated around the surface of a micro-fiber through isothermal heating evaporation induced self-assembly method. Scanning electron microscopy (SEM) image shows that the colloidal crystal has continuous, uniform, and well-ordered face-centered cubic (FCC) structure, with [111] crystallographic direction normal to the surface of micro-fiber. This micro-fiber with three-dimensional photonic crystals structure is very useful in the applications of micro-fiber sensors or filters.

  6. A sparse grid based method for generative dimensionality reduction of high-dimensional data

    NASA Astrophysics Data System (ADS)

    Bohn, Bastian; Garcke, Jochen; Griebel, Michael

    2016-03-01

    Generative dimensionality reduction methods play an important role in machine learning applications because they construct an explicit mapping from a low-dimensional space to the high-dimensional data space. We discuss a general framework to describe generative dimensionality reduction methods, where the main focus lies on a regularized principal manifold learning variant. Since most generative dimensionality reduction algorithms exploit the representer theorem for reproducing kernel Hilbert spaces, their computational costs grow at least quadratically in the number n of data. Instead, we introduce a grid-based discretization approach which automatically scales just linearly in n. To circumvent the curse of dimensionality of full tensor product grids, we use the concept of sparse grids. Furthermore, in real-world applications, some embedding directions are usually more important than others and it is reasonable to refine the underlying discretization space only in these directions. To this end, we employ a dimension-adaptive algorithm which is based on the ANOVA (analysis of variance) decomposition of a function. In particular, the reconstruction error is used to measure the quality of an embedding. As an application, the study of large simulation data from an engineering application in the automotive industry (car crash simulation) is performed.

  7. Three-dimensional aerodynamic shape optimization using discrete sensitivity analysis

    NASA Technical Reports Server (NTRS)

    Burgreen, Gregory W.

    1995-01-01

    An aerodynamic shape optimization procedure based on discrete sensitivity analysis is extended to treat three-dimensional geometries. The function of sensitivity analysis is to directly couple computational fluid dynamics (CFD) with numerical optimization techniques, which facilitates the construction of efficient direct-design methods. The development of a practical three-dimensional design procedures entails many challenges, such as: (1) the demand for significant efficiency improvements over current design methods; (2) a general and flexible three-dimensional surface representation; and (3) the efficient solution of very large systems of linear algebraic equations. It is demonstrated that each of these challenges is overcome by: (1) employing fully implicit (Newton) methods for the CFD analyses; (2) adopting a Bezier-Bernstein polynomial parameterization of two- and three-dimensional surfaces; and (3) using preconditioned conjugate gradient-like linear system solvers. Whereas each of these extensions independently yields an improvement in computational efficiency, the combined effect of implementing all the extensions simultaneously results in a significant factor of 50 decrease in computational time and a factor of eight reduction in memory over the most efficient design strategies in current use. The new aerodynamic shape optimization procedure is demonstrated in the design of both two- and three-dimensional inviscid aerodynamic problems including a two-dimensional supersonic internal/external nozzle, two-dimensional transonic airfoils (resulting in supercritical shapes), three-dimensional transport wings, and three-dimensional supersonic delta wings. Each design application results in realistic and useful optimized shapes.

  8. Future directions.

    PubMed

    Erickson, David L; Kress, W John

    2012-01-01

    It is a risky task to attempt to predict the direction that DNA barcoding and its applications may take in the future. In a very short time, the endeavor of DNA barcoding has gone from being a tool to facilitate taxonomy in difficult to identify species, to an ambitious, global initiative that seeks to tackle such pertinent and challenging issues as quantifying global biodiversity, revolutionizing the forensic identifications of species, advancing the study of interactions among species, and promoting the reconstruction of evolutionary relationships within communities. The core element of DNA barcoding will always remain the same: the generation of a set of well-identified samples collected and genotyped at one or more genetic barcode markers and assembled into a properly curated database. But the application of this body of data will depend on the creativity and need of the research community in using a "gold standard" of annotated DNA sequence data at the species level. We foresee several areas where the application of DNA barcode data is likely to yield important evolutionary, ecological, and societal insights, and while far from exclusive, provide examples of how DNA barcode data will continue to empower scientists to address hypothesis-driven research. Three areas of immediate and obvious concern are (1) biodiversity inventories, (2) phylogenetic applications, and (3) species interactions.

  9. Filling of three-dimensional space by two-dimensional sheet growth

    NASA Astrophysics Data System (ADS)

    Etzold, Merlin A.; McDonald, Peter J.; Faux, David A.; Routh, Alexander F.

    2015-10-01

    Models of three-dimensional space filling based on growth of two-dimensional sheets are proposed. Beginning from planar Eden-style growth of sheets, additional growth modes are introduced. These enable the sheets to form layered or disordered structures. The growth modes can also be combined. An off-lattice kinetic Monte Carlo-based computer algorithm is presented and used to study the kinetics of the new models and the resulting structures. It is possible to study space filling by two-dimensional growth in a three-dimensional domain with arbitrarily oriented sheets; the results agree with previously published models where the sheets are only able to grow in a limited set of directions. The introduction of a bifurcation mechanism gives rise to complex disordered structures that are of interest as model structures for the mesostructure of calcium silicate hydrate in hardened cement paste.

  10. Three-dimensional separation and reattachment

    NASA Technical Reports Server (NTRS)

    Peake, D. J.; Tobak, M.

    1982-01-01

    The separation of three dimensional turbulent boundary layers from the lee of flight vehicles at high angles of attack is investigated. The separation results in dominant, large scale, coiled vortex motions that pass along the body in the general direction of the free stream. In all cases of three dimensional flow separation and reattachment, the assumption of continuous vector fields of skin friction lines and external flow streamlines, coupled with simple laws of topology, provides a flow grammar whose elemental constituents are the singular points: the nodes, spiral nodes (foci), and saddles. The phenomenon of three dimensional separation may be construed as either a local or a global event, depending on whether the skin friction line that becomes a line of separation originates at a node or a saddle point.

  11. Three-dimensional separation and reattachment

    NASA Technical Reports Server (NTRS)

    Peake, D. J.; Tobak, M.

    1982-01-01

    The separation of three dimensional turbulent boundary layers from the lee of flight vehicles at high angles of attack is investigated. The separation results in dominant, large scale, coiled vortex motions that pass along the body in the general direction of the free stream. In all cases of three dimensional flow separation and reattachment, the assumption of continuous vector fields of skin friction lines and external flow streamlines, coupled with simple laws of topology, provides a flow grammar whose elemental constituents are the singular points: the nodes, spiral nodes (foci), and saddles. The phenomenon of three dimensional separation may be constrained as either a local or a global event, depending on whether the skin friction line that becomes a line of separation originates at a node or a saddle point.

  12. Vision in our three-dimensional world

    PubMed Central

    2016-01-01

    Many aspects of our perceptual experience are dominated by the fact that our two eyes point forward. Whilst the location of our eyes leaves the environment behind our head inaccessible to vision, co-ordinated use of our two eyes gives us direct access to the three-dimensional structure of the scene in front of us, through the mechanism of stereoscopic vision. Scientific understanding of the different brain regions involved in stereoscopic vision and three-dimensional spatial cognition is changing rapidly, with consequent influences on fields as diverse as clinical practice in ophthalmology and the technology of virtual reality devices. This article is part of the themed issue ‘Vision in our three-dimensional world’. PMID:27269595

  13. Two-Dimensional NMR Lineshape Analysis

    NASA Astrophysics Data System (ADS)

    Waudby, Christopher A.; Ramos, Andres; Cabrita, Lisa D.; Christodoulou, John

    2016-04-01

    NMR titration experiments are a rich source of structural, mechanistic, thermodynamic and kinetic information on biomolecular interactions, which can be extracted through the quantitative analysis of resonance lineshapes. However, applications of such analyses are frequently limited by peak overlap inherent to complex biomolecular systems. Moreover, systematic errors may arise due to the analysis of two-dimensional data using theoretical frameworks developed for one-dimensional experiments. Here we introduce a more accurate and convenient method for the analysis of such data, based on the direct quantum mechanical simulation and fitting of entire two-dimensional experiments, which we implement in a new software tool, TITAN (TITration ANalysis). We expect the approach, which we demonstrate for a variety of protein-protein and protein-ligand interactions, to be particularly useful in providing information on multi-step or multi-component interactions.

  14. Two-Dimensional NMR Lineshape Analysis

    PubMed Central

    Waudby, Christopher A.; Ramos, Andres; Cabrita, Lisa D.; Christodoulou, John

    2016-01-01

    NMR titration experiments are a rich source of structural, mechanistic, thermodynamic and kinetic information on biomolecular interactions, which can be extracted through the quantitative analysis of resonance lineshapes. However, applications of such analyses are frequently limited by peak overlap inherent to complex biomolecular systems. Moreover, systematic errors may arise due to the analysis of two-dimensional data using theoretical frameworks developed for one-dimensional experiments. Here we introduce a more accurate and convenient method for the analysis of such data, based on the direct quantum mechanical simulation and fitting of entire two-dimensional experiments, which we implement in a new software tool, TITAN (TITration ANalysis). We expect the approach, which we demonstrate for a variety of protein-protein and protein-ligand interactions, to be particularly useful in providing information on multi-step or multi-component interactions. PMID:27109776

  15. Dimensional crossover in dipolar magnetic layers

    NASA Astrophysics Data System (ADS)

    Bulenda, M.; Täuber, U. C.; Schwabl, F.

    2000-01-01

    We investigate the static critical behaviour of a uniaxial magnetic layer, with finite thickness L in one direction, yet infinitely extended in the remaining d dimensions. The magnetic dipole-dipole interaction is taken into account. We apply a variant of Wilson's momentum shell renormalization group approach to describe the crossover between the critical behaviour of the 3D Ising, 2D Ising, 3D uniaxial dipolar, and the 2D uniaxial dipolar universality classes. The corresponding renormalization group fixed points are in addition to different effective dimensionalities characterized by distinct analytic structures of the propagator, and are consequently associated with varying upper critical dimensions. While the limiting cases can be discussed by means of dimensional icons/Journals/Common/epsilon" ALT="epsilon" ALIGN="TOP"/> expansions with respect to the appropriate upper critical dimensions, respectively, the crossover features must be addressed in terms of the renormalization group flow trajectories at fixed dimensionality d .

  16. Three-Dimensional Complex Variables

    NASA Technical Reports Server (NTRS)

    Martin, E. Dale

    1988-01-01

    Report presents new theory of analytic functions of three-dimensional complex variables. While three-dimensional system subject to more limitations and more difficult to use than the two-dimensional system, useful in analysis of three-dimensional fluid flows, electrostatic potentials, and other phenomena involving harmonic functions.

  17. Dimensionality Reduction Through Classifier Ensembles

    NASA Technical Reports Server (NTRS)

    Oza, Nikunj C.; Tumer, Kagan; Norwig, Peter (Technical Monitor)

    1999-01-01

    In data mining, one often needs to analyze datasets with a very large number of attributes. Performing machine learning directly on such data sets is often impractical because of extensive run times, excessive complexity of the fitted model (often leading to overfitting), and the well-known "curse of dimensionality." In practice, to avoid such problems, feature selection and/or extraction are often used to reduce data dimensionality prior to the learning step. However, existing feature selection/extraction algorithms either evaluate features by their effectiveness across the entire data set or simply disregard class information altogether (e.g., principal component analysis). Furthermore, feature extraction algorithms such as principal components analysis create new features that are often meaningless to human users. In this article, we present input decimation, a method that provides "feature subsets" that are selected for their ability to discriminate among the classes. These features are subsequently used in ensembles of classifiers, yielding results superior to single classifiers, ensembles that use the full set of features, and ensembles based on principal component analysis on both real and synthetic datasets.

  18. Higher dimensional massive bigravity

    NASA Astrophysics Data System (ADS)

    Do, Tuan Q.

    2016-08-01

    We study higher-dimensional scenarios of massive bigravity, which is a very interesting extension of nonlinear massive gravity since its reference metric is assumed to be fully dynamical. In particular, the Einstein field equations along with the following constraint equations for both physical and reference metrics of a five-dimensional massive bigravity will be addressed. Then, we study some well-known cosmological spacetimes such as the Friedmann-Lemaitre-Robertson-Walker, Bianchi type I, and Schwarzschild-Tangherlini metrics for the five-dimensional massive bigravity. As a result, we find that massive graviton terms will serve as effective cosmological constants in both physical and reference sectors if a special scenario, in which reference metrics are chosen to be proportional to physical ones, is considered for all mentioned metrics. Thanks to the constancy property of massive graviton terms, consistent cosmological solutions will be figured out accordingly.

  19. Three dimensional quantum chromodynamics

    NASA Astrophysics Data System (ADS)

    Ferretti, G.; Rajeev, S. G.; Yang, Z.

    1992-02-01

    The subject of this talk is the study of the low energy behavior of three (2+1) dimensional Quantum Chromodynamics. We show the existence of a phase where parity is unbroken and the flavor group U(2n) is broken into a subgroup U(n)×U(n). We derive the low energy effective action for the theory and show that it has solitonic excitations with Fermi statistic, to be identified with the three dimensional ``baryon''. Finally, we study the current algebra for this effective action and we find a co-homologically nontrivial generalization of Kac-Moody algebras to three dimension.

  20. Prior Knowledge Enhances the Category Dimensionality Effect

    PubMed Central

    Hoffman, Aaron B.; Harris, Harlan D.; Murphy, Gregory L.

    2008-01-01

    A study of the combined influence of prior knowledge and stimulus dimensionality on category learning was conducted. Subjects learned category structures with the same number of necessary dimensions but more or fewer additional redundant dimensions, and with either knowledge-related or knowledge-unrelated features. Minimal-learning models predict that all subjects, regardless of condition, should learn either the same number of dimensions, or else should respond more slowly to each dimension. Despite similar learning rates and response times, subjects learned more features in the high-dimensional than in the low-dimensional condition. Furthermore, prior knowledge interacted with dimensionality, increasing what was learned especially in the high-dimensional case. A second experiment confirmed that the participants did in fact learn more features during the training phase, rather than simply inferring them at test. These effects can be explained by direct associations among features (representing prior knowledge) combined with feedback between features and the category label, as shown by simulations of the knowledge-resonance, or KRES, model of category learning. PMID:18426059

  1. Low-dimensional analysis of geomagnetic reversals

    NASA Astrophysics Data System (ADS)

    Morzfeld, M.; Fournier, A.; Hulot, G.

    2015-12-01

    Low-dimensional models for Earth's magnetic dipole have attracted attention recently because they may be a powerful tool to study the dominant dynamics over geological time-scales, where direct numerical simulation remains challenging. We investigate the extent to which several low-dimensional models can explain the Earth's dipole dynamics by comparing them to the signed relative paleointensity over the past 2 million years. Our comparisons of models and data are done by Bayesian statistics, which allows us to incorporate nonlinearity and uncertainty into the computations. The comparison, or data assimilation, reveals the strengths and weaknesses of each low-dimensional model and suggests improvements to the low-dimensional models. We also investigate if low-dimensional models can predict dipole reversals by performing extensive numerical experiments, and by hind-casting the Laschamp event, the Bruhnes-Matuyama reversal, as well as four other reversals documented over the past two million years. Our analysis stresses the need for models of geomagnetic reversals to faithfully account for the full spectrum of variability of paleomagnetic intensity.

  2. Dimensional Regularization is Generic

    NASA Astrophysics Data System (ADS)

    Fujikawa, Kazuo

    The absence of the quadratic divergence in the Higgs sector of the Standard Model in the dimensional regularization is usually regarded to be an exceptional property of a specific regularization. To understand what is going on in the dimensional regularization, we illustrate how to reproduce the results of the dimensional regularization for the λϕ4 theory in the more conventional regularization such as the higher derivative regularization; the basic postulate involved is that the quadratically divergent induced mass, which is independent of the scale change of the physical mass, is kinematical and unphysical. This is consistent with the derivation of the Callan-Symanzik equation, which is a comparison of two theories with slightly different masses, for the λϕ4 theory without encountering the quadratic divergence. In this sense the dimensional regularization may be said to be generic in a bottom-up approach starting with a successful low energy theory. We also define a modified version of the mass independent renormalization for a scalar field which leads to the homogeneous renormalization group equation. Implications of the present analysis on the Standard Model at high energies and the presence or absence of SUSY at LHC energies are briey discussed.

  3. Three-Dimensional Printing in Orthopedic Surgery.

    PubMed

    Eltorai, Adam E M; Nguyen, Eric; Daniels, Alan H

    2015-11-01

    Three-dimensional (3D) printing is emerging as a clinically promising technology for rapid prototyping of surgically implantable products. With this commercially available technology, computed tomography or magnetic resonance images can be used to create graspable objects from 3D reconstructed images. Models can enhance patients' understanding of their pathology and surgeon preoperative planning. Customized implants and casts can be made to match an individual's anatomy. This review outlines 3D printing, its current applications in orthopedics, and promising future directions.

  4. Three-dimensional simulation of vortex breakdown

    NASA Technical Reports Server (NTRS)

    Kuruvila, G.; Salas, M. D.

    1990-01-01

    The integral form of the complete, unsteady, compressible, three-dimensional Navier-Stokes equations in the conservation form, cast in generalized coordinate system, are solved, numerically, to simulate the vortex breakdown phenomenon. The inviscid fluxes are discretized using Roe's upwind-biased flux-difference splitting scheme and the viscous fluxes are discretized using central differencing. Time integration is performed using a backward Euler ADI (alternating direction implicit) scheme. A full approximation multigrid is used to accelerate the convergence to steady state.

  5. Three-dimensional volume containing multiple two-dimensional information patterns

    NASA Astrophysics Data System (ADS)

    Nakayama, Hirotaka; Shiraki, Atsushi; Hirayama, Ryuji; Masuda, Nobuyuki; Shimobaba, Tomoyoshi; Ito, Tomoyoshi

    2013-06-01

    We have developed an algorithm for recording multiple gradated two-dimensional projection patterns in a single three-dimensional object. When a single pattern is observed, information from the other patterns can be treated as background noise. The proposed algorithm has two important features: the number of patterns that can be recorded is theoretically infinite and no meaningful information can be seen outside of the projection directions. We confirmed the effectiveness of the proposed algorithm by performing numerical simulations of two laser crystals: an octagonal prism that contained four patterns in four projection directions and a dodecahedron that contained six patterns in six directions. We also fabricated and demonstrated an actual prototype laser crystal from a glass cube engraved by a laser beam. This algorithm has applications in various fields, including media art, digital signage, and encryption technology.

  6. Three-dimensional volume containing multiple two-dimensional information patterns.

    PubMed

    Nakayama, Hirotaka; Shiraki, Atsushi; Hirayama, Ryuji; Masuda, Nobuyuki; Shimobaba, Tomoyoshi; Ito, Tomoyoshi

    2013-01-01

    We have developed an algorithm for recording multiple gradated two-dimensional projection patterns in a single three-dimensional object. When a single pattern is observed, information from the other patterns can be treated as background noise. The proposed algorithm has two important features: the number of patterns that can be recorded is theoretically infinite and no meaningful information can be seen outside of the projection directions. We confirmed the effectiveness of the proposed algorithm by performing numerical simulations of two laser crystals: an octagonal prism that contained four patterns in four projection directions and a dodecahedron that contained six patterns in six directions. We also fabricated and demonstrated an actual prototype laser crystal from a glass cube engraved by a laser beam. This algorithm has applications in various fields, including media art, digital signage, and encryption technology.

  7. Four-Dimensional Entropy from Three-Dimensional Gravity.

    PubMed

    Carlip, S

    2015-08-14

    At the horizon of a black hole, the action of (3+1)-dimensional loop quantum gravity acquires a boundary term that is formally identical to an action for three-dimensional gravity. I show how to use this correspondence to obtain the entropy of the (3+1)-dimensional black hole from well-understood conformal field theory computations of the entropy in (2+1)-dimensional de Sitter space.

  8. High three dimensional thermoelectric performance from low dimensional bands

    SciTech Connect

    Singh, David J; Chen, Xin; Parker, David S

    2013-01-01

    Reduced dimensionality has long been regarded as an important strategy for increasing thermoelectric performance, for example in superlattices and other engineered structures. Here we point out and illustrate by examples that three dimensional bulk materials can be made to behave as if they were two dimensional from the point of view of thermoelectric performance. Implications for the discovery of new practical thermoelectrics are discussed.

  9. Five-dimensional crystallography

    PubMed Central

    Schmidt, Marius; Graber, Tim; Henning, Robert; Srajer, Vukica

    2010-01-01

    A method for determining a comprehensive chemical kinetic mechanism in macromolecular reactions is presented. The method is based on five-dimensional crystallography, where, in addition to space and time, temperature is also taken into consideration and an analysis based on singular value decomposition is applied. First results of such a time-resolved crystallographic study are presented. Temperature-dependent time-resolved X-ray diffraction measurements were conducted on the newly upgraded BioCARS 14-ID-B beamline at the Advanced Photon Source and aimed at elucidating a comprehensive kinetic mechanism of the photoactive yellow protein photocycle. Extensive time series of crystallographic data were collected at two temperatures, 293 K and 303 K. Relaxation times of the reaction extracted from these time series exhibit measurable differences for the two temperatures, hence demonstrating that five-dimensional crystallography is feasible. PMID:20164643

  10. One-dimensional turbulence

    SciTech Connect

    Kerstein, A.R.

    1996-12-31

    One-Dimensional Turbulence is a new turbulence modeling strategy involving an unsteady simulation implemented in one spatial dimension. In one dimension, fine scale viscous and molecular-diffusive processes can be resolved affordably in simulations at high turbulence intensity. The mechanistic distinction between advective and molecular processes is thereby preserved, in contrast to turbulence models presently employed. A stochastic process consisting of mapping {open_quote}events{close_quote} applied to a one-dimensional velocity profile represents turbulent advection. The local event rate for given eddy size is proportional to the velocity difference across the eddy. These properties cause an imposed shear to induce an eddy cascade analogous in many respects to the eddy cascade in turbulent flow. Many scaling and fluctuation properties of self-preserving flows, and of passive scalars introduced into these flows, are reproduced.

  11. Two-Dimensional Electrons.

    DTIC Science & Technology

    2014-09-26

    linear electronic specific heat disappears in strong magnetic fields if Landau levels are not broadened. Thus, the amplitude of the magnetothermal...Molec. Crys. Liq. Crys. 121, 169 (1984). In consideration of mixing of low-lying Landau levels, the magneto- conductance of two-dimensional electrons...and narrowing can be explained when the Landau level filling factor v is larger than 1. Actually, we have shown that the resonance phenomena are

  12. The dimensionality of discourse.

    PubMed

    Doxas, Isidoros; Dennis, Simon; Oliver, William L

    2010-03-16

    The paragraph spaces of five text corpora, of different genres and intended audiences, in four different languages, all show the same two-scale structure, with the dimension at short distances being lower than at long distances. In all five cases the short-distance dimension is approximately eight. Control simulations with randomly permuted word instances do not exhibit a low dimensional structure. The observed topology places important constraints on the way in which authors construct prose, which may be universal.

  13. The dimensionality of discourse

    PubMed Central

    Doxas, Isidoros; Dennis, Simon; Oliver, William L.

    2010-01-01

    The paragraph spaces of five text corpora, of different genres and intended audiences, in four different languages, all show the same two-scale structure, with the dimension at short distances being lower than at long distances. In all five cases the short-distance dimension is approximately eight. Control simulations with randomly permuted word instances do not exhibit a low dimensional structure. The observed topology places important constraints on the way in which authors construct prose, which may be universal. PMID:20194761

  14. Three Dimensional Dirac Semimetals

    NASA Astrophysics Data System (ADS)

    Zaheer, Saad

    2014-03-01

    Dirac points on the Fermi surface of two dimensional graphene are responsible for its unique electronic behavior. One can ask whether any three dimensional materials support similar pseudorelativistic physics in their bulk electronic spectra. This possibility has been investigated theoretically and is now supported by two successful experimental demonstrations reported during the last year. In this talk, I will summarize the various ways in which Dirac semimetals can be realized in three dimensions with primary focus on a specific theory developed on the basis of representations of crystal spacegroups. A three dimensional Dirac (Weyl) semimetal can appear in the presence (absence) of inversion symmetry by tuning parameters to the phase boundary separating a bulk insulating and a topological insulating phase. More generally, we find that specific rules governing crystal symmetry representations of electrons with spin lead to robust Dirac points at high symmetry points in the Brillouin zone. Combining these rules with microscopic considerations identifies six candidate Dirac semimetals. Another method towards engineering Dirac semimetals involves combining crystal symmetry and band inversion. Several candidate materials have been proposed utilizing this mechanism and one of the candidates has been successfully demonstrated as a Dirac semimetal in two independent experiments. Work carried out in collaboration with: Julia A. Steinberg, Steve M. Young, J.C.Y. Teo, C.L. Kane, E.J. Mele and Andrew M. Rappe.

  15. Gold nanocrystals with DNA-directed morphologies

    NASA Astrophysics Data System (ADS)

    Ma, Xingyi; Huh, June; Park, Wounjhang; Lee, Luke P.; Kwon, Young Jik; Sim, Sang Jun

    2016-09-01

    Precise control over the structure of metal nanomaterials is important for developing advanced nanobiotechnology. Assembly methods of nanoparticles into structured blocks have been widely demonstrated recently. However, synthesis of nanocrystals with controlled, three-dimensional structures remains challenging. Here we show a directed crystallization of gold by a single DNA molecular regulator in a sequence-independent manner and its applications in three-dimensional topological controls of crystalline nanostructures. We anchor DNA onto gold nanoseed with various alignments to form gold nanocrystals with defined topologies. Some topologies are asymmetric including pushpin-, star- and biconcave disk-like structures, as well as more complex jellyfish- and flower-like structures. The approach of employing DNA enables the solution-based synthesis of nanocrystals with controlled, three-dimensional structures in a desired direction, and expands the current tools available for designing and synthesizing feature-rich nanomaterials for future translational biotechnology.

  16. Gold nanocrystals with DNA-directed morphologies

    PubMed Central

    Ma, Xingyi; Huh, June; Park, Wounjhang; Lee, Luke P.; Kwon, Young Jik; Sim, Sang Jun

    2016-01-01

    Precise control over the structure of metal nanomaterials is important for developing advanced nanobiotechnology. Assembly methods of nanoparticles into structured blocks have been widely demonstrated recently. However, synthesis of nanocrystals with controlled, three-dimensional structures remains challenging. Here we show a directed crystallization of gold by a single DNA molecular regulator in a sequence-independent manner and its applications in three-dimensional topological controls of crystalline nanostructures. We anchor DNA onto gold nanoseed with various alignments to form gold nanocrystals with defined topologies. Some topologies are asymmetric including pushpin-, star- and biconcave disk-like structures, as well as more complex jellyfish- and flower-like structures. The approach of employing DNA enables the solution-based synthesis of nanocrystals with controlled, three-dimensional structures in a desired direction, and expands the current tools available for designing and synthesizing feature-rich nanomaterials for future translational biotechnology. PMID:27633935

  17. Characterizing the dynamics of higher dimensional nonintegrable conservative systems

    NASA Astrophysics Data System (ADS)

    Manchein, Cesar; Beims, Marcus W.; Rost, Jan M.

    2012-09-01

    The phase space dynamics of higher dimensional nonintegrable conservative systems is characterized via the effect of "sticky" motion on the finite time Lyapunov exponents (FTLEs) distribution. Since a chaotic trajectory suffers the sticky effect when chaotic motion is mixed to the regular one, it offers a way to separate the mixed from the totally chaotic regimes. To detect stickiness, four different measures are used, related to the distributions of the positive FTLEs, and provide conditions to characterize the dynamics. Conservative maps are systematically studied from the uncoupled two-dimensional case up to coupled maps of dimension 20. Sticky motion is detected in all unstable directions above a threshold Kd of the nonlinearity parameter K for the high dimensional cases d = 10, 20. Moreover, as K increases we can clearly identify the transition from mixed to totally chaotic motion which occurs simultaneously in all unstable directions. Results show that all four statistical measures sensitively characterize the motion in high dimensional systems.

  18. Directional emission of stadium-shaped microlasers

    SciTech Connect

    Lebental, M.; Lauret, J. S.; Zyss, J.; Schmit, C.; Bogomolny, E.

    2007-03-15

    The far-field emission of two-dimensional stadium-shaped dielectric cavities is investigated. Microlasers with such shape present a highly directional emission. We provide experimental evidence of the dependence of the emission directionality on the shape of the stadium, in good agreement with ray numerical simulations. We develop an analytical geometrical optics model which permits to account for the main observed features. Wave numerical calculations confirm the results.

  19. One-Dimensionality and Whiteness

    ERIC Educational Resources Information Center

    Calderon, Dolores

    2006-01-01

    This article is a theoretical discussion that links Marcuse's concept of one-dimensional society and the Great Refusal with critical race theory in order to achieve a more robust interrogation of whiteness. The author argues that in the context of the United States, the one-dimensionality that Marcuse condemns in "One-Dimensional Man" is best…

  20. Two-Dimensional Versus Three-Dimensional Conceptualization in Astronomy Education

    NASA Astrophysics Data System (ADS)

    Reynolds, Michael David

    Numerous science conceptual issues are naturally three-dimensional. Classroom presentations are often two -dimensional or at best multidimensional. Several astronomy topics are of this nature, e. g. mechanics of the phases of the moon. Textbooks present this three-dimensional topic in two-dimensions; such is often the case in the classroom. This study was conducted to examine conceptions exhibited by pairs of like-sex 11th grade standard physics students as they modeled the lunar phases. Student pairs, 13 male and 13 female, were randomly selected and assigned. Pairing comes closer to classroom emulation, minimizes needs for direct probes, and pair discussion is more likely to display variety and depth. Four hypotheses were addressed: (1) Participants who model three-dimensionally will more likely achieve a higher explanation score. (2) Students who experienced more earth or physical science exposure will more likely model three-dimensionally. (3) Pairs that exhibit a strong science or mathematics preference will more likely model three-dimensionally. (4) Males will model in three dimensions more than females. Students provided background information, including science course exposure and subject preference. Each pair laid out a 16-card set representing two complete lunar phase changes. The pair was asked to explain why the phases occur. Materials were provided for use, including disks, spheres, paper and pen, and flashlight. Activities were videotaped for later evaluation. Statistics of choice was a correlation determination between course preference and model type and ANOVA for the other hypotheses. It was determined that pairs who modeled three -dimensionally achieved a higher score on their phases mechanics explanation at p <.05 level. Pairs with earth science or physical science exposure, those who prefer science or mathematics, and male participants were not more likely to model three-dimensionally. Possible reasons for lack of significance was small sample

  1. Multi-directional local search.

    PubMed

    Tricoire, Fabien

    2012-12-01

    This paper introduces multi-directional local search, a metaheuristic for multi-objective optimization. We first motivate the method and present an algorithmic framework for it. We then apply it to several known multi-objective problems such as the multi-objective multi-dimensional knapsack problem, the bi-objective set packing problem and the bi-objective orienteering problem. Experimental results show that our method systematically provides solution sets of comparable quality with state-of-the-art methods applied to benchmark instances of these problems, within reasonable CPU effort. We conclude that the proposed algorithmic framework is a viable option when solving multi-objective optimization problems.

  2. Direct Multizone System -- DMS1-275.

    ERIC Educational Resources Information Center

    Lennox Industries, Inc., Marshalltown, IA.

    Lennox Direct Multizone System as a new concept for integrated comfort control is described. The following areas of concern are included--(1) flexibility - typical applications, (2) detailed engineering data, (3) accessories, (4) approvals, (5) guide specifications, (6) dimensional drawings of a typical unit, (7) blower data, (8) mounting data,…

  3. Numerical modeling of two-dimensional confined flows

    NASA Technical Reports Server (NTRS)

    Greywall, M. S.

    1979-01-01

    A numerical model of two-dimensional confined flows is presented. The flow in the duct is partitioned into finite streams. The difference equations are then obtained by applying conservation principles directly to the individual streams. A listing of a computer code based on this approach in FORTRAN 4 language is presented. The code computes two dimensional compressible turbulent flows in ducts when the duct area along the flow is specified and the pressure gradient is unknown.

  4. Low-Dimensional Topological Crystalline Insulators.

    PubMed

    Wang, Qisheng; Wang, Feng; Li, Jie; Wang, Zhenxing; Zhan, Xueying; He, Jun

    2015-09-01

    Topological crystalline insulators (TCIs) are recently discovered topological phase with robust surface states residing on high-symmetry crystal surfaces. Different from conventional topological insulators (TIs), protection of surface states on TCIs comes from point-group symmetry instead of time-reversal symmetry in TIs. The distinct properties of TCIs make them promising candidates for the use in novel spintronics, low-dissipation quantum computation, tunable pressure sensor, mid-infrared detector, and thermoelectric conversion. However, similar to the situation in TIs, the surface states are always suppressed by bulk carriers, impeding the exploitation of topology-induced quantum phenomenon. One effective way to solve this problem is to grow low-dimensional TCIs which possess large surface-to-volume ratio, and thus profoundly increase the carrier contribution from topological surface states. Indeed, through persistent effort, researchers have obtained unique quantum transport phenomenon, originating from topological surface states, based on controllable growth of low-dimensional TCIs. This article gives a comprehensive review on the recent progress of controllable synthesis and topological surface transport of low-dimensional TCIs. The possible future direction about low-dimensional TCIs is also briefly discussed at the end of this paper.

  5. Two and three dimensional magnetotelluric inversion

    SciTech Connect

    Booker, J.

    1993-01-01

    Electrical conductivity depends on properties such as the presence of ionic fluids in interconnected pores that are difficult to sense with other remote sensing techniques. Thus improved imaging of underground electrical structure has wide practical importance in exploring for groundwater, mineral and geothermal resources, and in assessing the diffusion of fluids in oil fields and waste sites. Because the electromagnetic inverse problem is fundamentally multi-dimensional, most imaging algorithms saturate available computer power long before they can deal with the complete data set. We have developed an algorithm to directly invert large multi-dimensional data sets that is orders of magnitude faster than competing methods. We have proven that a two-dimensional (2D) version of the algorithm is highly effective for real data and have made substantial progress towards a three-dimensional (3D) version. We are proposing to cure identified shortcomings and substantially expand the utility of the existing 2D program, overcome identified difficulties with extending our method to three-dimensions (3D) and embark on an investigation of related EM imaging techniques which may have the potential for even further increasing resolution.

  6. Valley excitons in two-dimensional semiconductors

    SciTech Connect

    Yu, Hongyi; Cui, Xiaodong; Xu, Xiaodong; Yao, Wang

    2014-12-30

    Monolayer group-VIB transition metal dichalcogenides have recently emerged as a new class of semiconductors in the two-dimensional limit. The attractive properties include: the visible range direct band gap ideal for exploring optoelectronic applications; the intriguing physics associated with spin and valley pseudospin of carriers which implies potentials for novel electronics based on these internal degrees of freedom; the exceptionally strong Coulomb interaction due to the two-dimensional geometry and the large effective masses. The physics of excitons, the bound states of electrons and holes, has been one of the most actively studied topics on these two-dimensional semiconductors, where the excitons exhibit remarkably new features due to the strong Coulomb binding, the valley degeneracy of the band edges, and the valley dependent optical selection rules for interband transitions. Here we give a brief overview of the experimental and theoretical findings on excitons in two-dimensional transition metal dichalcogenides, with focus on the novel properties associated with their valley degrees of freedom.

  7. Valley excitons in two-dimensional semiconductors

    DOE PAGES

    Yu, Hongyi; Cui, Xiaodong; Xu, Xiaodong; ...

    2014-12-30

    Monolayer group-VIB transition metal dichalcogenides have recently emerged as a new class of semiconductors in the two-dimensional limit. The attractive properties include: the visible range direct band gap ideal for exploring optoelectronic applications; the intriguing physics associated with spin and valley pseudospin of carriers which implies potentials for novel electronics based on these internal degrees of freedom; the exceptionally strong Coulomb interaction due to the two-dimensional geometry and the large effective masses. The physics of excitons, the bound states of electrons and holes, has been one of the most actively studied topics on these two-dimensional semiconductors, where the excitons exhibitmore » remarkably new features due to the strong Coulomb binding, the valley degeneracy of the band edges, and the valley dependent optical selection rules for interband transitions. Here we give a brief overview of the experimental and theoretical findings on excitons in two-dimensional transition metal dichalcogenides, with focus on the novel properties associated with their valley degrees of freedom.« less

  8. Evaporation of 2-Dimensional Black Holes

    NASA Astrophysics Data System (ADS)

    Ramazanoglu, Fethi M.

    2011-04-01

    Violation of unitarity in black hole evaporation has been puzzling physicist since the seminal work of Hawking in the seventies. Although there are hopes for a resolution of the problem in a full theory of quantum gravity, it has eluded us so far. Even less ambitious efforts considering only quantum corrections beyond the external field approximation have proven hard to attack in 4 dimensions. All these obstacles directed researchers to investigate the black hole evaporation problem in simpler 2-dimensional models. In this talk, we will present results on a new investigation of one of these models, the 2-dimensional Callan-Giddings-Harvey-Strominger (CGHS) model. Using a combination of analytical and high precision numerical tools, we are able to resolve CGHS black hole evaporation within the mean field approximation all the way to the point where the black hole area vanishes. Our results confirm some of the assumptions of the standard paradigm, and strongly suggest the recovery of unitarity within the full quantum theory. On the other hand, there are several surprising new results, in particular remarkable universal behavior in the evaporation of initially macroscopic black holes. This suggests that information about the collapsing matter that formed the black hole can not be recovered from the evaporation radiation. Though this separation of the questions of information loss and unitarity is peculiar to the 2-dimensional model, insights into the higher dimensional case can still be garnered.

  9. Recursive support vector machines for dimensionality reduction.

    PubMed

    Tao, Qing; Chu, Dejun; Wang, Jue

    2008-01-01

    The usual dimensionality reduction technique in supervised learning is mainly based on linear discriminant analysis (LDA), but it suffers from singularity or undersampled problems. On the other hand, a regular support vector machine (SVM) separates the data only in terms of one single direction of maximum margin, and the classification accuracy may be not good enough. In this letter, a recursive SVM (RSVM) is presented, in which several orthogonal directions that best separate the data with the maximum margin are obtained. Theoretical analysis shows that a completely orthogonal basis can be derived in feature subspace spanned by the training samples and the margin is decreasing along the recursive components in linearly separable cases. As a result, a new dimensionality reduction technique based on multilevel maximum margin components and then a classifier with high accuracy are achieved. Experiments in synthetic and several real data sets show that RSVM using multilevel maximum margin features can do efficient dimensionality reduction and outperform regular SVM in binary classification problems.

  10. Uncertainty and Dimensional Calibrations

    PubMed Central

    Doiron, Ted; Stoup, John

    1997-01-01

    The calculation of uncertainty for a measurement is an effort to set reasonable bounds for the measurement result according to standardized rules. Since every measurement produces only an estimate of the answer, the primary requisite of an uncertainty statement is to inform the reader of how sure the writer is that the answer is in a certain range. This report explains how we have implemented these rules for dimensional calibrations of nine different types of gages: gage blocks, gage wires, ring gages, gage balls, roundness standards, optical flats indexing tables, angle blocks, and sieves. PMID:27805114

  11. Uncertainty and Dimensional Calibrations.

    PubMed

    Doiron, Ted; Stoup, John

    1997-01-01

    The calculation of uncertainty for a measurement is an effort to set reasonable bounds for the measurement result according to standardized rules. Since every measurement produces only an estimate of the answer, the primary requisite of an uncertainty statement is to inform the reader of how sure the writer is that the answer is in a certain range. This report explains how we have implemented these rules for dimensional calibrations of nine different types of gages: gage blocks, gage wires, ring gages, gage balls, roundness standards, optical flats indexing tables, angle blocks, and sieves.

  12. Toward two-dimensional search engines

    NASA Astrophysics Data System (ADS)

    Ermann, L.; Chepelianskii, A. D.; Shepelyansky, D. L.

    2012-07-01

    We study the statistical properties of various directed networks using ranking of their nodes based on the dominant vectors of the Google matrix known as PageRank and CheiRank. On average PageRank orders nodes proportionally to a number of ingoing links, while CheiRank orders nodes proportionally to a number of outgoing links. In this way, the ranking of nodes becomes two dimensional which paves the way for the development of two-dimensional search engines of a new type. Statistical properties of information flow on the PageRank-CheiRank plane are analyzed for networks of British, French and Italian universities, Wikipedia, Linux Kernel, gene regulation and other networks. A special emphasis is done for British universities networks using the large database publicly available in the UK. Methods of spam links control are also analyzed.

  13. One-Dimensional Photonic Crystal Superprisms

    NASA Technical Reports Server (NTRS)

    Ting, David

    2005-01-01

    Theoretical calculations indicate that it should be possible for one-dimensional (1D) photonic crystals (see figure) to exhibit giant dispersions known as the superprism effect. Previously, three-dimensional (3D) photonic crystal superprisms have demonstrated strong wavelength dispersion - about 500 times that of conventional prisms and diffraction gratings. Unlike diffraction gratings, superprisms do not exhibit zero-order transmission or higher-order diffraction, thereby eliminating cross-talk problems. However, the fabrication of these 3D photonic crystals requires complex electron-beam substrate patterning and multilayer thin-film sputtering processes. The proposed 1D superprism is much simpler in structural complexity and, therefore, easier to design and fabricate. Like their 3D counterparts, the 1D superprisms can exhibit giant dispersions over small spectral bands that can be tailored by judicious structure design and tuned by varying incident beam direction. Potential applications include miniature gas-sensing devices.

  14. Vortices in Low-Dimensional Magnetic Systems

    NASA Astrophysics Data System (ADS)

    Costa, B. V.

    2011-05-01

    Vortices are objects that are important to describe several physical phenomena. There are many examples of such objects in nature as in a large variety of physical situations like in fluid dynamics, superconductivity, magnetism, and biology. Historically, the interest in magnetic vortex-like excitations begun in the 1960s. That interest was mainly associated with an unusual phase-transition phenomenon in two-dimensional magnetic systems. More recently, direct experimental evidence for the existence of magnetic vortex states in nano-disks was found. The interest in such model was renewed due to the possibility of the use of magnetic nano-disks as bit elements in nano-scale memory devices. The goal of this study is to review some key points for the understanding of the vortex behavior and the progress that have been done in the study of vortices in low-dimensional magnetic systems.

  15. Three-Dimensional Reflectance Traction Microscopy

    PubMed Central

    Jones, Christopher A. R.; Groves, Nicholas Scott; Sun, Bo

    2016-01-01

    Cells in three-dimensional (3D) environments exhibit very different biochemical and biophysical phenotypes compared to the behavior of cells in two-dimensional (2D) environments. As an important biomechanical measurement, 2D traction force microscopy can not be directly extended into 3D cases. In order to quantitatively characterize the contraction field, we have developed 3D reflectance traction microscopy which combines confocal reflection imaging and partial volume correlation postprocessing. We have measured the deformation field of collagen gel under controlled mechanical stress. We have also characterized the deformation field generated by invasive breast cancer cells of different morphologies in 3D collagen matrix. In contrast to employ dispersed tracing particles or fluorescently-tagged matrix proteins, our methods provide a label-free, computationally effective strategy to study the cell mechanics in native 3D extracellular matrix. PMID:27304456

  16. Rh-Catalyzed Intermolecular Syn-Carboamination of Alkenes via a Transient Directing Group

    PubMed Central

    Piou, Tiffany; Rovis, Tomislav

    2015-01-01

    Alkenes are the most ubiquitous pro-chiral functional groups accessible to synthetic chemists. For this reason, difunctionalization reactions of alkenes are particularly important, as they can be used to access highly complex molecular architectures.1,2 Stereoselective oxidation reactions, including dihydroxylation, aminohydroxylation and halogenation reactions,3,4,5,6 are well-established methods for functionalizing alkenes. However, the intermolecular incorporation of both carbon- and nitrogen-based functionalities stereoselectively across an alkene has not been reported. In this manuscript, we describe the Rh(III)-catalyzed syn carboamination of alkenes initiated by a C–H activation event that uses enoxyphthalimides as the source of the carbon and the nitrogen functionalities. The reaction methodology allows for the stereospecific formation of one C–C and one C–N bond across an alkene in a fully intermolecular sense, which is unprecedented. The reaction design involves the in situ generation of a bidentate directing group and the use of a novel cyclopentadienyl ligand to control the reactivity of Rh(III). The results provide a new route to functionalized alkenes and are expected to lead to the more convergent and stereoselective assembly of amine-containing acyclic molecules. PMID:26503048

  17. Dimensionality reduction for registration of high-dimensional data sets.

    PubMed

    Xu, Min; Chen, Hao; Varshney, Pramod K

    2013-08-01

    Registration of two high-dimensional data sets often involves dimensionality reduction to yield a single-band image from each data set followed by pairwise image registration. We develop a new application-specific algorithm for dimensionality reduction of high-dimensional data sets such that the weighted harmonic mean of Cramér-Rao lower bounds for the estimation of the transformation parameters for registration is minimized. The performance of the proposed dimensionality reduction algorithm is evaluated using three remotes sensing data sets. The experimental results using mutual information-based pairwise registration technique demonstrate that our proposed dimensionality reduction algorithm combines the original data sets to obtain the image pair with more texture, resulting in improved image registration.

  18. Dimensionality Reduction Particle Swarm Algorithm for High Dimensional Clustering

    SciTech Connect

    Cui, Xiaohui; ST Charles, Jesse Lee; Potok, Thomas E; Beaver, Justin M

    2008-01-01

    The Particle Swarm Optimization (PSO) clustering algorithm can generate more compact clustering results than the traditional K-means clustering algorithm. However, when clustering high dimensional datasets, the PSO clustering algorithm is notoriously slow because its computation cost increases exponentially with the size of the dataset dimension. Dimensionality reduction techniques offer solutions that both significantly improve the computation time, and yield reasonably accurate clustering results in high dimensional data analysis. In this paper, we introduce research that combines different dimensionality reduction techniques with the PSO clustering algorithm in order to reduce the complexity of high dimensional datasets and speed up the PSO clustering process. We report significant improvements in total runtime. Moreover, the clustering accuracy of the dimensionality reduction PSO clustering algorithm is comparable to the one that uses full dimension space.

  19. Dimensional analysis revisited.

    PubMed

    Günther, Bruno; Morgado, Enrique

    2003-01-01

    The applicability of dimensional analysis (DA) is discussed in relation to the metabolic scaling laws. The evolution of different theories of biological similarity has shown that the calculated reduced exponents (b) of Huxley's allometric equation are closely correlated with the numerical values obtained from the statistical analysis of empirical data. Body mass and body weight are not equivalent as biological reference systems, since in accordance to Newton's second law, the former has a dimension of a mass, while the latter should be dimensionally considered as a force (W = MLT-2). This distinction affects the coefficients of the mass exponent (alpha). This difference is of paramount importance in microgravity conditions (spaceflight) and of buoyancy during the fetal life in mammals. Furthermore, the coefficients (beta) of the length dimension, and (gamma) of the time dimension do not vary when mass or weight are utilized as reference systems. Consequently, the "specific metabolic time," that results from the ratio of basal oxygen consumption and body mass or body weight yields the "biological meaning" of the time dimension, which is of fractal nature.

  20. Lyotropic liquid crystal directed synthesis of nanostructured materials

    PubMed Central

    Wang, Cuiqing; Chen, Dairong; Jiao, Xiuling

    2009-01-01

    This review introduces and summarizes lyotropic liquid crystal (LLC) directed syntheses of nanostructured materials consisting of porous nanostructures and zero-dimensional (0-D), one-dimensional (1-D) and two-dimensional (2-D) nanostructures. After a brief introduction to the liquid crystals, the LLCs used to prepare mesoporous materials are discussed; in particular, recent advances in controlling mesostructures are summarized. The LLC templates directing the syntheses of nanoparticles, nanorods, nanowires and nanoplates are also presented. Finally, future development in this field is discussed. PMID:27877273