Penalized Likelihood Methods for Estimation of Sparse High Dimensional Directed Acyclic Graphs
Shojaie, Ali
2009-01-01
Directed acyclic graphs (DAGs) are commonly used to represent causal relationships among random variables in graphical models. Applications of these models arise in the study of physical, as well as biological systems, where directed edges between nodes represent the influence of components of the system on each other. The general problem of estimating DAGs from observed data is computationally NP-hard, Moreover two directed graphs may be observationally equivalent. When the nodes exhibit a natural ordering, the problem of estimating directed graphs reduces to the problem of estimating the structure of the network. In this paper, we propose a penalized likelihood approach that directly estimates the adjacency matrix of DAGs. Both lasso and adaptive lasso penalties are considered and an efficient algorithm is proposed for estimation of high dimensional DAGs. We study variable selection consistency of the two penalties when the number of variables grows to infinity with the sample size. We show that although la...
Algorithms for Junctions in Directed Acyclic Graphs
Ferreira, Carlos Eduardo
2012-01-01
Given a pair of distinct vertices u, v in a graph G, we say that s is a junction of u, v if there are in G internally vertex disjoint directed paths from s to u and from s to v. We show how to characterize junctions in directed acyclic graphs. We also consider the two problems in the following and derive efficient algorithms to solve them. Given a directed acyclic graph G and a vertex s in G, how can we find all pairs of vertices of G such that s is a junction of them? And given a directed acyclic graph G and k pairs of vertices of G, how can we preprocess G such that all junctions of k given pairs of vertices could be listed quickly? All junctions of k pairs problem arises in an application in Anthropology and we apply our algorithm to find such junctions on kinship networks of some brazilian indian ethnic groups.
Exploring the randomness of Directed Acyclic Networks
Goñi, Joaquín; Solé, Ricard V; Rodríguez-Caso, Carlos
2010-01-01
The feed-forward relationship naturally observed in time-dependent processes and in a diverse number of real systems -such as some food-webs and electronic and neural wiring- can be described in terms of so-called directed acyclic graphs (DAGs). An important ingredient of the analysis of such networks is a proper comparison of their observed architecture against an ensemble of randomized graphs, thereby quantifying the {\\em randomness} of the real systems with respect to suitable null models. This approximation is particularly relevant when the finite size and/or large connectivity of real systems make inadequate a comparison with the predictions obtained from the so-called {\\em configuration model}. In this paper we analyze four methods of DAG randomization as defined by the desired combination of topological invariants (directed and undirected degree sequence and component distributions) aimed to be preserved. A highly ordered DAG, called \\textit{snake}-graph and a Erd\\:os-R\\'enyi DAG were used to validate ...
$\\ell_0$-penalized maximum likelihood for sparse directed acyclic graphs
van de Geer, Sara
2012-01-01
We consider the problem of regularized maximum likelihood estimation for the structure and parameters of a high-dimensional, sparse directed acyclic graphical (DAG) model with Gaussian distribution, or equivalently, of a Gaussian structural equation model. We show that the $\\ell_0$-penalized maximum likelihood estimator of a DAG has about the same number of edges as the minimal-edge I-MAP (a DAG with minimal number of edges representing the distribution), and that it converges in Frobenius norm. We allow the number of nodes $p$ to be much larger than sample size $n$ but assume a sparsity condition and that any representation of the true DAG has at least a fixed proportion of its non-zero edge weights above the noise level. Our results do not rely on the restrictive strong faithfulness condition which is required for methods based on conditional independence testing such as the PC-algorithm.
[Application of directed acyclic graphs in control of confounding].
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.
Statistical tests for associations between two directed acyclic graphs.
Robert Hoehndorf
Full Text Available Biological data, and particularly annotation data, are increasingly being represented in directed acyclic graphs (DAGs. However, while relevant biological information is implicit in the links between multiple domains, annotations from these different domains are usually represented in distinct, unconnected DAGs, making links between the domains represented difficult to determine. We develop a novel family of general statistical tests for the discovery of strong associations between two directed acyclic graphs. Our method takes the topology of the input graphs and the specificity and relevance of associations between nodes into consideration. We apply our method to the extraction of associations between biomedical ontologies in an extensive use-case. Through a manual and an automatic evaluation, we show that our tests discover biologically relevant relations. The suite of statistical tests we develop for this purpose is implemented and freely available for download.
Learning directed acyclic graphical structures with genetical genomics data.
Gao, Bin; Cui, Yuehua
2015-12-15
Large amount of research efforts have been focused on estimating gene networks based on gene expression data to understand the functional basis of a living organism. Such networks are often obtained by considering pairwise correlations between genes, thus may not reflect the true connectivity between genes. By treating gene expressions as quantitative traits while considering genetic markers, genetical genomics analysis has shown its power in enhancing the understanding of gene regulations. Previous works have shown the improved performance on estimating the undirected network graphical structure by incorporating genetic markers as covariates. Knowing that gene expressions are often due to directed regulations, it is more meaningful to estimate the directed graphical network. In this article, we introduce a covariate-adjusted Gaussian graphical model to estimate the Markov equivalence class of the directed acyclic graphs (DAGs) in a genetical genomics analysis framework. We develop a two-stage estimation procedure to first estimate the regression coefficient matrix by [Formula: see text] penalization. The estimated coefficient matrix is then used to estimate the mean values in our multi-response Gaussian model to estimate the regulatory networks of gene expressions using PC-algorithm. The estimation consistency for high dimensional sparse DAGs is established. Simulations are conducted to demonstrate our theoretical results. The method is applied to a human Alzheimer's disease dataset in which differential DAGs are identified between cases and controls. R code for implementing the method can be downloaded at http://www.stt.msu.edu/∼cui. R code for implementing the method is freely available at http://www.stt.msu.edu/∼cui/software.html. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.
A sequential growth dynamics for a directed acyclic dyadic graph
Krugly, Alexey L
2011-01-01
A model of discrete spacetime on a microscopic level is considered. It is a directed acyclic dyadic graph. This is the particular case of a causal set. The goal of this model is to describe particles as some repetitive symmetrical self-organized structures of the graph without any reference to continuous spacetime. The dynamics of the model is considered. This dynamics is stochastic sequential additions of new vertexes. Growth of the graph is a Markovian process. This dynamics is a consequence of a causality principle.
Graphical presentation of confounding in directed acyclic graphs.
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.
Processing directed acyclic graphs with recursive neural networks.
Bianchini, M; Gori, M; Scarselli, F
2001-01-01
Recursive neural networks are conceived for processing graphs and extend the well-known recurrent model for processing sequences. In Frasconi et al. (1998), recursive neural networks can deal only with directed ordered acyclic graphs (DOAGs), in which the children of any given node are ordered. While this assumption is reasonable in some applications, it introduces unnecessary constraints in others. In this paper, it is shown that the constraint on the ordering can be relaxed by using an appropriate weight sharing, that guarantees the independence of the network output with respect to the permutations of the arcs leaving from each node. The method can be used with graphs having low connectivity and, in particular, few outcoming arcs. Some theoretical properties of the proposed architecture are given. They guarantee that the approximation capabilities are maintained, despite the weight sharing.
A Directed Acyclic Graph-Large Margin Distribution Machine Model for Music Symbol Classification.
Wen, Cuihong; Zhang, Jing; Rebelo, Ana; Cheng, Fanyong
2016-01-01
Optical Music Recognition (OMR) has received increasing attention in recent years. In this paper, we propose a classifier based on a new method named Directed Acyclic Graph-Large margin Distribution Machine (DAG-LDM). The DAG-LDM is an improvement of the Large margin Distribution Machine (LDM), which is a binary classifier that optimizes the margin distribution by maximizing the margin mean and minimizing the margin variance simultaneously. We modify the LDM to the DAG-LDM to solve the multi-class music symbol classification problem. Tests are conducted on more than 10000 music symbol images, obtained from handwritten and printed images of music scores. The proposed method provides superior classification capability and achieves much higher classification accuracy than the state-of-the-art algorithms such as Support Vector Machines (SVMs) and Neural Networks (NNs).
Consensus pursuit of heterogeneous multi-agent systems under a directed acyclic graph
Yan Jing; Guan Xin-Ping; Luo Xiao-Yuan
2011-01-01
This paper is concerned with the cooperative target pursuit problem by multiple agents based on directed acyclic graph. The target appears at a random location and moves only when sensed by the agents, and agents will pursue the target once they detect its existence. Since the ability of each agent may be different, we consider the heterogeneous multi-agent systems.According to the topology of the multi-agent systems, a novel consensus-based control law is proposed, where the target and agents are modeled as a leader and followers, respectively. Based on Mason's rule and signal flow graph analysis, the convergence conditions are provided to show that the agents can catch the target in a finite time. Finally, simulation studies are provided to verify the effectiveness of the proposed approach.
A Directed Acyclic Graph-Large Margin Distribution Machine Model for Music Symbol Classification.
Cuihong Wen
Full Text Available Optical Music Recognition (OMR has received increasing attention in recent years. In this paper, we propose a classifier based on a new method named Directed Acyclic Graph-Large margin Distribution Machine (DAG-LDM. The DAG-LDM is an improvement of the Large margin Distribution Machine (LDM, which is a binary classifier that optimizes the margin distribution by maximizing the margin mean and minimizing the margin variance simultaneously. We modify the LDM to the DAG-LDM to solve the multi-class music symbol classification problem. Tests are conducted on more than 10000 music symbol images, obtained from handwritten and printed images of music scores. The proposed method provides superior classification capability and achieves much higher classification accuracy than the state-of-the-art algorithms such as Support Vector Machines (SVMs and Neural Networks (NNs.
Ha, Jeongmok; Jeong, Hong
2016-07-01
This study investigates the directed acyclic subgraph (DAS) algorithm, which is used to solve discrete labeling problems much more rapidly than other Markov-random-field-based inference methods but at a competitive accuracy. However, the mechanism by which the DAS algorithm simultaneously achieves competitive accuracy and fast execution speed, has not been elucidated by a theoretical derivation. We analyze the DAS algorithm by comparing it with a message passing algorithm. Graphical models, inference methods, and energy-minimization frameworks are compared between DAS and message passing algorithms. Moreover, the performances of DAS and other message passing methods [sum-product belief propagation (BP), max-product BP, and tree-reweighted message passing] are experimentally compared.
Computing the SKT Reliability of Acyclic Directed Networks Using Factoring Method
KONG Fanjia; WANG Guangxing
1999-01-01
This paper presents a factoringalgorithm for computing source-to-K terminal (SKT) reliability, the probability that a source s can send message to a specified set of terminals K, in acyclic directed networks (AD-networks) in which bothnodes and edges can fail. Based on Pivotal decomposition theorem, a newformula is derived for computing the SKT reliability of AD-networks. By establishing a topological property of AD-networks, it is shown that the SKT reliability of AD-networks can be computed by recursively applying this formula. Two new Reliability-Preserving Reductions are alsointroduced. The recursion tree generated by the presented algorithm hasat most 2(|V| - |K|- |C|) leaf nodes, where |V| and |K| are the numbers of nodes and terminals, respectively, while |C| is the number of the nodes satisfying some specified conditions. The computation complexity of the new algorithm is O (|E||V|2(|V| -|K| -|C|)) in the worst case, where |E| is the number of edges. Forsource-to-all-terminal (SAT) reliability, its computation complexity is O (|E|). Comparison of the new algorithm with the existing ones indicates that the new algorithm is more efficient for computing the SKT reliability of AD-networks.
Robust causal inference using directed acyclic graphs: the R package 'dagitty'.
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/].
On Acyclicity of Games with Cycles
Andersson, Daniel; Gurvich, Vladimir; Hansen, Thomas Dueholm
2009-01-01
We study restricted improvement cycles (ri-cycles) in finite positional n-person games with perfect information modeled by directed graphs (digraphs) that may contain cycles. We obtain criteria of restricted improvement acyclicity (ri-acyclicity) in two cases: for n = 2 and for acyclic digraphs. We...
Barr, Michael
2002-01-01
Acyclic models is a method heavily used to analyze and compare various homology and cohomology theories appearing in topology and algebra. This book is the first attempt to put together in a concise form this important technique and to include all the necessary background. It presents a brief introduction to category theory and homological algebra. The author then gives the background of the theory of differential modules and chain complexes over an abelian category to state the main acyclic models theorem, generalizing and systemizing the earlier material. This is then applied to various cohomology theories in algebra and topology. The volume could be used as a text for a course that combines homological algebra and algebraic topology. Required background includes a standard course in abstract algebra and some knowledge of topology. The volume contains many exercises. It is also suitable as a reference work for researchers.
Shuihua Wang
2016-10-01
Full Text Available (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.
无
2001-01-01
Acyclic hypergraphs are analogues of forests in graphs. They arevery useful in the design of databases. The number of distinct acyclic uniform hypergraphs with n labeled vertices is studied. With the aid of the principle of inclusion-exclusion, two formulas are presented. One is the explicit formula for strict (d)-connected acyclic hypergraphs, the other is the recurrence formula for linear acyclic hypergraphs.
Ren, Yueying; Liu, Huanxiang; Yao, Xiaojun; Liu, Mancang
2007-06-29
A novel approach is described for the prediction of gas chromatographic Kováts retention indices of 150 acyclic C5-C8 alkenes on two stationary phases (polydimethylsiloxane, PDMS, and squalane, SQ). The heuristic method was used to build multiple linear regression models using descriptors calculated by MODLESLAB software and CODESSA program. The resulting quantitative structure-retention relationship (QSRR) models were well-correlated, with predictive R2 values of 0.970 and 0.958 for retention indices on PDMS and SQ columns, respectively. 1Omegap, a three-dimensional (3D) topographic index, was found to play the most important role in the description of the chromatographic retention behavior of the alkenes in these two stationary phases. Moreover, this index could completely distinguish different isomers of alkene. Therefore, it can also be extended to distinguish different isomers of other compounds so that can well describe their quantitative structure-retention relationships.
Subquivers of mutation-acyclic quivers are mutation-acyclic
Warkentin, Matthias
2011-01-01
Quiver mutation plays a crucial role in the definition of cluster algebras by Fomin and Zelevinsky. It induces an equivalence relation on the set of all quivers without loops and two-cycles. A quiver is called mutation-acyclic if it is mutation-equivalent to an acyclic quiver. The aim of this note is to show that full subquivers of mutation-acyclic quivers are mutation-acyclic.
Barry, Dawn E; Caffrey, David F; Gunnlaugsson, Thorfinnur
2016-06-01
Herein some examples of the use of lanthanide ions (f-metal ions) to direct the synthesis of luminescent self-assembly systems (architectures) will be discussed. This area of lanthanide supramolecular chemistry is fast growing, thanks to the unique physical (magnetic and luminescent) and coordination properties of the lanthanides, which are often transferred to the resulting supermolecule. The emphasis herein will be on systems that are luminescent, and hence, generated by using either visibly emitting ions (such as Eu(III), Tb(III) and Sm(III)) or near infrared emitting ions (like Nd(III), Yb(III) and Er(III)), formed through the use of templating chemistry, by employing structurally simple ligands, possessing oxygen and nitrogen coordinating moieties. As the lanthanides have high coordination requirements, their use often allows for the formation of coordination compounds and supramolecular systems such as bundles, grids, helicates and interlocked molecules that are not synthetically accessible through the use of other commonly used templating ions such as transition metal ions. Hence, the use of the rare-earth metal ions can lead to the formation of unique and stable species in both solution and in the solid state, as well as functional and responsive structures.
Evans David
2012-10-01
Full Text Available Abstract Background Directed acyclic graphs (DAGs are an effective means of presenting expert-knowledge assumptions when selecting adjustment variables in epidemiology, whereas the change-in-estimate procedure is a common statistics-based approach. As DAGs imply specific empirical relationships which can be explored by the change-in-estimate procedure, it should be possible to combine the two approaches. This paper proposes such an approach which aims to produce well-adjusted estimates for a given research question, based on plausible DAGs consistent with the data at hand, combining prior knowledge and standard regression methods. Methods Based on the relationships laid out in a DAG, researchers can predict how a collapsible estimator (e.g. risk ratio or risk difference for an effect of interest should change when adjusted on different variable sets. Implied and observed patterns can then be compared to detect inconsistencies and so guide adjustment-variable selection. Results The proposed approach involves i. drawing up a set of plausible background-knowledge DAGs; ii. starting with one of these DAGs as a working DAG, identifying a minimal variable set, S, sufficient to control for bias on the effect of interest; iii. estimating a collapsible estimator adjusted on S, then adjusted on S plus each variable not in S in turn (“add-one pattern” and then adjusted on the variables in S minus each of these variables in turn (“minus-one pattern”; iv. checking the observed add-one and minus-one patterns against the pattern implied by the working DAG and the other prior DAGs; v. reviewing the DAGs, if needed; and vi. presenting the initial and all final DAGs with estimates. Conclusion This approach to adjustment-variable selection combines background-knowledge and statistics-based approaches using methods already common in epidemiology and communicates assumptions and uncertainties in a standardized graphical format. It is probably best suited to
WANG; Jianfang
2001-01-01
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A geometric approach to acyclic orientations
Ehrenborg, Richard
2009-01-01
The set of acyclic orientations of a connected graph with a given sink has a natural poset structure. We give a geometric proof of a result of Jim Propp: this poset is the disjoint union of distributive lattices.
Modelling discrete longitudinal data using acyclic probabilistic finite automata
Anantharama Ankinakatte, Smitha; Edwards, David
2015-01-01
Acyclic probabilistic finite automata (APFA) constitute a rich family of models for discrete longitudinal data. An APFA may be represented as a directed multigraph, and embodies a set of context-specific conditional independence relations that may be read off the graph. A model selection algorithm...... to minimize a penalized likelihood criterion such as AIC or BIC is described. This algorithm is compared to one implemented in Beagle, a widely used program for processing genomic data, both in terms of rate of convergence to the true model as the sample size increases, and a goodness-of-fit measure assessed...
Acyclic telluroiminium salts: isolation and characterization.
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.
Direct Linear Transformation Method for Three-Dimensional Cinematography
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)
Das, Uday; Naskar, Jishu; Mukherjee, Alok Kumar
2015-12-01
A terminally protected acyclic tetrapeptide has been synthesized, and the crystal structure of its hydrated form, Boc-Tyr-Aib-Tyr-Ile-OMe·2H2O (1), has been determined directly from powder X-ray diffraction data. The backbone conformation of tetrapeptide (1) exhibiting two consecutive β-turns is stabilized by two 4 → 1 intramolecular N-H · · · O hydrogen bonds. In the crystalline state, the tetrapeptide molecules are assembled through water-mediated O-H · · · O hydrogen bonds to form two-dimensional molecular sheets, which are further linked by intermolecular C-H · · · O hydrogen bonds into a three-dimensional supramolecular framework. The molecular electrostatic potential (MEP) surface of (1) has been used to supplement the crystallographic observations. The nature of intermolecular interactions in (1) has been analyzed quantitatively through the Hirshfeld surface and two-dimensional fingerprint plot. The DFT optimized molecular geometry of (1) agrees closely with that obtained from the X-ray structure analysis. The present structure analysis of Boc-Tyr-Aib-Tyr-Ile-OMe·2H2 O (1) represents a case where ab-initio crystal structure of an acyclic tetrapeptide with considerable molecular flexibility has been accomplished from laboratory X-ray powder diffraction data.
Acyclic 6-choosability of planar graphs without adjacent short cycles
WANG WeiFan; ZHANG Ge; CHEN Min
2014-01-01
A proper vertex coloring of a graph G is acyclic if G contains no bicolored cycles.Given a list assignment L={L（v）｜v∈V}of G,we say that G is acyclically L-colorable if there exists a proper acyclic coloringπof G such thatπ（v）∈L（v）for all v∈V.If G is acyclically L-colorable for any list assignment L with｜L（v）｜k for all v∈V（G）,then G is acyclically k-choosable.In this paper,we prove that every planar graph G is acyclically 6-choosable if G does not contain 4-cycles adjacent to i-cycles for each i∈{3,4,5,6}.This improves the result by Wang and Chen（2009）.
Acyclic Edge Coloring of Planar Graphs without Adjacent Triangles
Dezheng XIE; Yanqing WU
2012-01-01
An acyclic edge coloring of a graph G is a proper edge coloring such that there are no bichromatic cycles.The acyclic edge chromatic number of a graph G is the minimum number k such that there exists an acyclic edge coloring using k colors and is denoted by x'a(G).In this paper we prove that x'a(G)≤ Δ(G)+ 5 for planar graphs G without adjacent triangles.
Acyclic Solos and Differential Interaction Nets
Ehrhard, Thomas
2010-01-01
We present a restriction of the solos calculus which is stable under reduction and expressive enough to contain an encoding of the pi-calculus. As a consequence, it is shown that equalizing names that are already equal is not required by the encoding of the pi-calculus. In particular, the induced solo diagrams bear an acyclicity property that induces a faithful encoding into differential interaction nets. This gives a (new) proof that differential interaction nets are expressive enough to contain an encoding of the pi-calculus. All this is worked out in the case of finitary (replication free) systems without sum, match nor mismatch.
A Direct Two-Dimensional Pressure Formulation in Molecular Dynamics
YD, Sumith
2016-01-01
Two-dimensional (2D) pressure field estimation in molecular dynamics (MD) simulations has been done using three-dimensional (3D) pressure field calculations followed by averaging, which is computationally expensive due to 3D convolutions. In this work, we develop a direct 2D pressure field estimation method which is much faster than 3D methods without losing accuracy. The method is validated with MD simulations on two systems: a liquid film and a cylindrical drop of argon suspended in surrounding vapor.
Maximal elements of non necessarily acyclic binary relations
Josep Enric Peris Ferrando; Begoña Subiza Martínez
1992-01-01
The existence of maximal elements for binary preference relations is analyzed without imposing transitivity or convexity conditions. From each preference relation a new acyclic relation is defined in such a way that some maximal elements of this new relation characterize maximal elements of the original one. The result covers the case whereby the relation is acyclic.
Bayesian Discovery of Linear Acyclic Causal Models
Hoyer, Patrik O
2012-01-01
Methods for automated discovery of causal relationships from non-interventional data have received much attention recently. A widely used and well understood model family is given by linear acyclic causal models (recursive structural equation models). For Gaussian data both constraint-based methods (Spirtes et al., 1993; Pearl, 2000) (which output a single equivalence class) and Bayesian score-based methods (Geiger and Heckerman, 1994) (which assign relative scores to the equivalence classes) are available. On the contrary, all current methods able to utilize non-Gaussianity in the data (Shimizu et al., 2006; Hoyer et al., 2008) always return only a single graph or a single equivalence class, and so are fundamentally unable to express the degree of certainty attached to that output. In this paper we develop a Bayesian score-based approach able to take advantage of non-Gaussianity when estimating linear acyclic causal models, and we empirically demonstrate that, at least on very modest size networks, its accur...
On network coding for acyclic networks with delays
Prasad, K
2011-01-01
Problems related to network coding for acyclic, instantaneous networks (where the edges of the acyclic graph representing the network are assumed to have zero-delay) have been extensively dealt with in the recent past. The most prominent of these problems include (a) the existence of network codes that achieve maximum rate of transmission, (b) efficient network code constructions, and (c) field size issues. In practice, however, networks have transmission delays. In network coding theory, such networks with transmission delays are generally abstracted by assuming that their edges have integer delays. Note that using enough memory at the nodes of an acyclic network with integer delays can effectively simulate instantaneous behavior, which is probably why only acyclic instantaneous networks have been primarily focused on thus far. In this work, we elaborate on issues ((a), (b) and (c) above) related to network coding for acyclic networks with integer delays, which have till now been overlooked. We show that the...
Approximating acyclicity parameters of sparse hypergraphs
Fomin, Fedor V; Thilikos, Dimitrios M
2008-01-01
The notions of hypertree width and generalized hypertree width were introduced by Gottlob, Leone, and Scarcello in order to extend the concept of hypergraph acyclicity. These notions were further generalized by Grohe and Marx, who introduced the fractional hypertree width of a hypergraph. All these width parameters on hypergraphs are useful for extending tractability of many problems in database theory and artificial intelligence. In this paper, we study the approximability of (generalized, fractional) hyper treewidth of sparse hypergraphs where the criterion of sparsity reflects the sparsity of their incidence graphs. Our first step is to prove that the (generalized, fractional) hypertree width of a hypergraph H is constant-factor sandwiched by the treewidth of its incidence graph, when the incidence graph belongs to some apex-minor-free graph class. This determines the combinatorial borderline above which the notion of (generalized, fractional) hypertree width becomes essentially more general than treewidth...
Acyclic Total Colorings of Planar Graphs without l Cycles
Xiang Yong SUN; Jian Liang WU
2011-01-01
A proper total coloring of a graph G such that there are at least 4 colors on those vertices and edges incident with a cycle of G,is called acyclic total coloring.The acyclic total chromatic number of G is the least number of colors in an acyclic total coloring of G.In this paper,it is proved that theacyclic total chromatic number of a planar graph G of maximum degree at least k and without l cycles is at most △(G)+2 if(κ,l)∈{(6,3),(7,4),(6,5),(7,6)}.
Three-dimensional imaging of direct-written photonic structures
Marshall, Graham D; Thayil, Anisha; Withford, Michael J; Booth, Martin
2010-01-01
Third harmonic generation microscopy has been used to analyze the morphology of photonic structures created using the femtosecond laser direct-write technique. Three dimensional waveguide arrays and waveguide-Bragg gratings written in fused-silica and doped phosphate glass were investigated. A sensorless adaptive optical system was used to correct the optical aberrations occurring in the sample and microscope system, which had a lateral resolution of less than 500 nm. This non-destructive testing method creates volume reconstructions of photonic devices and reveals details invisible to other linear microscopy and index profilometry techniques.
Modeling direct interband tunneling. II. Lower-dimensional structures
Pan, Andrew, E-mail: pandrew@ucla.edu [Department of Electrical Engineering, University of California, Los Angeles, Los Angeles, California 90095 (United States); Chui, Chi On [Department of Electrical Engineering, University of California, Los Angeles, Los Angeles, California 90095 (United States); California NanoSystems Institute, University of California, Los Angeles, Los Angeles, California 90095 (United States)
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.
The stable configuration in acyclic preference-based systems
Mathieu, Fabien; Reynier, Julien
2008-01-01
Acyclic preferences recently appeared as an elegant way to model many distributed systems. An acyclic instance admits a unique stable configuration, which can reveal the performance of the system. In this paper, we give the statistical properties of the stable configuration for three classes of acyclic preferences: node-based preferences, distance-based preferences, and random acyclic systems. Using random overlay graphs, we prove using mean-field and fluid-limit techniques that these systems have an asymptotically continuous independent rank distribution for a proper scaling, and the analytical solution is compared to simulations. These results provide a theoretical ground for validating the performance of bandwidth-based or proximity-based unstructured systems.
Direct-writing organic three-dimensional nanofibrous structure
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.
Physiology and methodology of intermittent resistance training for acyclic sports
Casas, Adrián
2008-01-01
Resistance training for acyclic sports has traditionally been carried out using training methods developed for cyclic sports. These methods were developed from the study of the physiological bases of maximum oxygen consumption (VO2max), prioritising “central” cardiovascular factors (cardiac) above “peripheral” factors (muscular) and omitting in-depth analysis of muscular behaviour during acyclic resistance. This article intends to: a) analyse certain physiological aspects needed to understand...
Estimation of Small s-t Reliabilities in Acyclic Networks
Laumanns, Marco
2007-01-01
In the classical s-t network reliability problem a fixed network G is given including two designated vertices s and t (called terminals). The edges are subject to independent random failure, and the task is to compute the probability that s and t are connected in the resulting network, which is known to be #P-complete. In this paper we are interested in approximating the s-t reliability in case of a directed acyclic original network G. We introduce and analyze a specialized version of the Monte-Carlo algorithm given by Karp and Luby. For the case of uniform edge failure probabilities, we give a worst-case bound on the number of samples that have to be drawn to obtain an epsilon-delta approximation, being sharper than the original upper bound. We also derive a variance reduction of the estimator which reduces the expected number of iterations to perform to achieve the desired accuracy when applied in conjunction with different stopping rules. Initial computational results on two types of random networks (direc...
New Stable and Persistent Acyclic Diaminocarbenes.
Schulz, Tim; Weismann, Daniel; Wallbaum, Lars; Guthardt, Robin; Thie, Charlotte; Leibold, Michael; Bruhn, Clemens; Siemeling, Ulrich
2015-09-28
The portfolio of acyclic diaminocarbenes (ADACs) has been substantially expanded, owing to the synthesis of eleven new formamidinium salts, mostly of the type [(iPr2N)CH(NRR')][PF6], for use as immediate carbene precursors. The corresponding ADACs (iPr2N)C(NRR') were sufficiently stable for isolation in the case of NRR' = 2-methylpiperidino (13), 3-methylpiperidino (14), 4-methylpiperidino (15), morpholino (17) and NiPrPh (20), but had to be trapped in situ in the case of NRR' = 2,2,6,6-tetramethylpiperidino (12) and NiPrMe (19). The tetraaryl-substituted ADACs (Ph2N)2C (22) and (Ph2N)C[N(C6F5)2] (24) also could only be generated and trapped in situ. Trapping with elemental selenium was particularly efficient, affording the corresponding selenourea derivative in all cases, whereas trapping with [{Rh(μ-Cl)(cod)}2] did not work for 12 and 24. The (77)Se NMR chemical shifts, δ((77)Se), of the selenourea compounds derived from the new ADACs lie in the range 450-760 ppm, which indicates a much higher electrophilicity and π-accepting capability of ADACs in comparison with NHCs, which typically exhibit δ((77)Se)<200 ppm. The extreme low-field shift of 758 ppm observed for 12Se can be rationalised by the results of DFT calculations, which revealed that ADAC 12 has a minimum energy conformation with the 2,2,6,6-tetramethylpiperidino unit perpendicular to the N2C plane, which suppresses the π donation of this amino group and causes an unusually low LUMO energy and high electrophilicity. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
方意; 赵胜民
2012-01-01
基准利率的选择是我国利率市场化改革的重点。基于四种利率并结合“有向无环图”技术方法对我国金融市场基准利率选择进行的实证研究表明，在当前利率双轨制背景下，市场化利率还不能起到基准利率的作用，而以存款基准利率为代表的管制利率是我国金融市场的基准利率。对于市场化利率来说，Shibor比回购利率的基准利率属性更强。%The choice of the benchmark interest rate is the focus of China＇s market-oriented in- terest rate reform. Based on the four kinds of interest rates and combined with the technical method of the directed acyclic graph, this paper conducts an empirical study of the benchmark interest rate option in China＇s financial markets, The result indicates that in the present context of the dual-track interest rate system the market-oriented interest rates can not play the role of the benchmark interest rate yet, while the controlled interest rates represented by the benchmark rate of deposits is served as the benchmark interest rate in China＇s financial markets. As for the market-oriented interest rates, Shibor has a stronger property as the benchmark interest rate than the repo rate
Acyclic edge colorings of planar graphs and series parallel graphs
HOU JianFeng; WU JianLiang; LIU GuiZhen; LIU Bin
2009-01-01
A proper edge coloring of a graph G is called acyclic if there is no 2-colored cycle in G.The acyclic edge chromatic number of G,denoted by a'(G),is the least number of colors in an acyclic edge coloring of G.Alon et al.conjectured that a'(G) ≤△(G) +2 for any graphs.For planar graphs G with girth g(G),we prove that a'(G) ≤ max{2△(G)-2,△(G) +22} if g(G) ≥3,a'(G)≤△(G)+2if g(G) ≥ 5,a'(G) ≤△(G)+1 if g(G) ≥ 7,and a'(G)=△(G) if g(G) ≥ 16 and △(G) ≥ 3.For series-parallel graphs G,we have a'(G) ≤ △(G) +1.
Inverse Eigenvalue Problems for Two Special Acyclic Matrices
Debashish Sharma
2016-03-01
Full Text Available In this paper, we study two inverse eigenvalue problems (IEPs of constructing two special acyclic matrices. The first problem involves the reconstruction of matrices whose graph is a path, from given information on one eigenvector of the required matrix and one eigenvalue of each of its leading principal submatrices. The second problem involves reconstruction of matrices whose graph is a broom, the eigen data being the maximum and minimum eigenvalues of each of the leading principal submatrices of the required matrix. In order to solve the problems, we use the recurrence relations among leading principal minors and the property of simplicity of the extremal eigenvalues of acyclic matrices.
Synthesis of some novel hydrazono acyclic nucleoside analogues
Mohammad N. Soltani Rad
2010-05-01
Full Text Available 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.
Oscillatory cellular patterns in three-dimensional directional solidification.
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
Directed assembly of three-dimensional microvascular networks
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
Directed structure at infinity for infinite-dimensional systems
Laakkonen, Petteri; Pohjolainen, Seppo
2011-04-01
In this article the structure at infinity of infinite-dimensional linear time invariant systems with finite-dimensional input and output spaces is discussed. It is shown that a diagonal form describing behaviour near infinity can be found. This diagonal form is a generalisation of the Smith-McMillan form at infinity for rational matrices. It is then used to simplify certain solvability conditions of a regulation problem. Examples on time-delay and distributed parameter systems are given.
Performance and Reliability Analysis Using Directed Acyclic Graphs.
1985-04-04
34 ,,’. " .. .. " * " ... - .. . . . . . . - . . . , •.• ".. * 7- R- 7- A BC DEF G H Figure 1. Examples of Series-Parallel Graphs G1 G2 A B A C D B C Figure 2. Graphs which are not Series...Oct 1984), 309-312. 120] Neuts, M.F., Matriz -Geometric Solutions in Stochastic Models, The Johns Hopkins University Press, Baltimore, Md., 1981. [21...that go through BC and DC. The probability that the system does not recover is the probability of traversing the path through DF. 5. CONCLUSION AND
New directions in science and technology: two-dimensional crystals
Neto, A H Castro [Graphene Research Centre, National University of Singapore, 2 Science Drive 3, Singapore 117542 (Singapore); Novoselov, K, E-mail: phycastr@nus.edu.sg, E-mail: konstantin.novoselov@manchester.ac.uk [School of Physics and Astronomy, University of Manchester, Oxford Road, Manchester, M13 9PL (United Kingdom)
2011-08-15
Graphene is possibly one of the largest and fastest growing fields in condensed matter research. However, graphene is only one example in a large class of two-dimensional crystals with unusual properties. In this paper we briefly review the properties of graphene and look at the exciting possibilities that lie ahead.
Direct Current Hopping Conductivity in One-Dimensional Nanometre Systems
宋祎璞; 徐慧; 罗峰
2003-01-01
A one-dimensional random nanocrystalline chain model is established. A dc electron-phonon-field conductance model of electron tunnelling transfer is set up, and a new dc conductance formula in one-dimensional nanometre systems is derived. By calculating the dc conductivity, the relationship among the electric field, temperature and conductivity is analysed, and the effect of the crystalline grain size and the distortion of interfacial atoms on the dc conductance is discussed. The result shows that the nanometre system appears the characteristic of negative differential dependence of resistance and temperature at low temperature. The dc conductivity of nanometre systems varies with the change of electric field and trends to rise as the crystalline grain size increases and to decrease as the distorted degree of interfacial atoms increases.
On acyclicity of games with cycles
Andersson, Klas Olof Daniel; Hansen, Thomas Dueholm; Gurvich, Vladimir
2010-01-01
We study restricted improvement cycles (ri-cycles) in finite positional n-person games with perfect information modeled by directed graphs (di-graphs) that may contain directed cycles (di-cycles). We assume that all these di-cycles form one outcome c, for example, a draw. We obtain criteria of re...
Direct force wall shear measurements in pressure-driven three-dimensional turbulent boundary layers
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.
Direct three-dimensional ordering of quasi-one-dimensional quantum dimer system near critical fields
Matsushita, Taku; Hori, Nobuyoshi; Takata, Seiya; Wada, Nobuo; Amaya, Naoki; Hosokoshi, Yuko
2017-01-01
Dimensionalities of X X Z spin orderings or degenerate hard-core bosons in a quasi-one-dimensional (1D) dimer system are examined by the ac susceptibility and specific heat of antiferromagnetic bond-alternating chains in pentafluorophenyl nitronyl nitroxide (F5PNN ). At intermediate fields in the gapless region, the 1D short-range order (SRO) corresponding to the Tomonaga-Luttinger liquid and three-dimensional (3D) long-range order (LRO BEC) at lower temperatures are separately observed, as expected from the small interchain interaction. In contrast, a definite region around the critical field was established where 3D LRO occurs without the development of 1D SRO at higher temperatures.
Three dimensional direct numerical simulation of complex jet flows
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.
Enzymatic study on AtCCD4 and AtCCD7 and their potential to form acyclic regulatory metabolites
Bruno, Mark
2016-09-29
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.
Three-dimensional track reconstruction for directional Dark Matter detection
Billard, J; Santos, D
2012-01-01
Directional detection of Dark Matter is a promising search strategy. However, to perform such detection, a given set of parameters has to be retrieved from the recoiling tracks : direction, sense and position in the detector volume. In order to optimize the track reconstruction and to fully exploit the data of forthcoming directional detectors, we present a likelihood method dedicated to 3D track reconstruction. This new analysis method is applied to the MIMAC detector. It requires a full simulation of track measurements in order to compare real tracks to simulated ones. We conclude that a good spatial resolution can be achieved, i.e. sub-mm in the anode plane and cm along the drift axis. This opens the possibility to perform a fiducialization of directional detectors. The angular resolution is shown to range between 20$^\\circ$ to 80$^\\circ$, depending on the recoil energy, which is however enough to achieve a high significance discovery of Dark Matter. On the contrary, we show that sense recognition capabili...
Parallel direct numerical simulation of three-dimensional spray formation
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.
Meier, Sebastian; Karlsson, Magnus; Jensen, Pernille Rose
2017-01-01
monitoring with sensitivity-optimized NMR spectroscopy in the molybdatecatalyzed epimerization of glucose to mannose. We detect an exchanging pool of at least five acyclic glucose-catalyst complexes under near-optimum reaction conditions. In the presence of catalyst, the acyclic glucose population increases...... and catalytic conversion. Epimerization occurs 2-3 orders of magnitude-fold faster than the binding of acyclic glucose to the catalyst at near-optimum reaction conditions. The current study brings insight in to the nature of acyclic intermediate-catalyst complexes of very low population and into experimental...... strategies for characterizing very minor intermediates in carbohydrate conversion to value-added compounds....
A Distributed Algorithm for Determining Minimal Covers of Acyclic Database Schemes
叶新铭
1994-01-01
Acyclic databases possess several desirable properties for their design and use.A distributed algorithm is proposed for determining a minimal cover of an alpha-,beta-,gamma-,or Berge-acyclic database scheme over a set of attributes in a distributed environment.
A General and Efficient CuBr2-Catalyzed N-Arylation of Secondary Acyclic Amides
王满刚; 于华; 尤心稳; 吴军; 商志才
2012-01-01
A general and efficient Cu(II)-catalyzed cross-coupling method is reported for the preparation of acyclic tertiary amides. Generally moderate to excellent yields and functional group tolerance were obtained with secondary acyclic amides and aryl halides as substrates in toluene.
Zhi-yue Zhang
2002-01-01
Both numerical simulation and theoretical analysis of seawater intrusion in coastal regions are of great theoretical importance in environmental sciences. The mathematical model can be described as a coupled system of three dimensional nonlinear partial differential equations with initial-boundary value problems. In this paper, according to the actual conditions of molecular and three-dimensional characteristic of the problem,we construct the characteristic finite element alternating-direction schemes which can be divided into three continuous one-dimensional problems. By making use of tensor product algorithm, and priori estimation theory and techniques, the optimal order estimates in H1 norm are derived for the error in the approximate solution.
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.
Towards Optimal Event Detection and Localization in Acyclic Flow Networks
Agumbe Suresh, Mahima
2012-01-03
Acyclic flow networks, present in many infrastructures of national importance (e.g., oil & gas and water distribution systems), have been attracting immense research interest. Existing solutions for detecting and locating attacks against these infrastructures, have been proven costly and imprecise, especially when dealing with large scale distribution systems. In this paper, to the best of our knowledge for the first time, we investigate how mobile sensor networks can be used for optimal event detection and localization in acyclic flow networks. Sensor nodes move along the edges of the network and detect events (i.e., attacks) and proximity to beacon nodes with known placement in the network. We formulate the problem of minimizing the cost of monitoring infrastructure (i.e., minimizing the number of sensor and beacon nodes deployed), while ensuring a degree of sensing coverage in a zone of interest and a required accuracy in locating events. We propose algorithms for solving these problems and demonstrate their effectiveness with results obtained from a high fidelity simulator.
Synthesis of Peptidomimetic Conjugates of Acyclic Nucleoside Phosphonates
Serpi, Michaela; Zakharova, Valeria M.; Krylov, Ivan S.; McKenna, Charles E.
2010-01-01
Cyclic nucleoside phosphonates connected through a P-O-C linkage to a promoiety represent a class of prodrugs designed to overcome the low oral bioavailability of parent antiviral acyclic nucleoside phosphonates. In our prodrug approach, a non-toxic promoiety such as an amino acid or dipeptide is conjugated to the cyclic form of the parent drug by esterification of the phosphonic acid moiety by an alcoholic amino acid side chain (Ser, Tyr, and analogues) or through a glycol linker. For the biological evaluation and investigation of the pharmacokinetic profiles of these modified nucleoside phosphonates, a reliable synthetic procedure that allows preparation of sufficient amount of potential prodrugs is needed. This unit describes a method for generating peptidomimetic conjugates of two potent antiviral acyclic nucleoside phosphonates: 1-[(2S)-3-hydroxy-2-phosphonomethoxypropyl]cytosine ((S)-HPMPC, and 9-[(2S)-3-hydroxy-2-phosphonomethoxypropyl]adenine ((S)-HPMPA). Two alternate strategies allowing synthesizing selected amino acid, dipeptide, or ethylene glycol-linked amino acid prodrugs of (S)-HPMPC and (S)-HPMPA in solution and using a solid-phase approach are presented. PMID:21154529
Catabolism of citronellol and related acyclic terpenoids in pseudomonads.
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.
Reliable determination of amidicity in acyclic amides and lactams.
Glover, Stephen A; Rosser, Adam A
2012-07-06
Two independent computational methods have been used for determination of amide resonance stabilization and amidicities relative to N,N-dimethylacetamide for a wide range of acyclic and cyclic amides. The first method utilizes carbonyl substitution nitrogen atom replacement (COSNAR). The second, new approach involves determination of the difference in amide resonance between N,N-dimethylacetamide and the target amide using an isodesmic trans-amidation process and is calibrated relative to 1-aza-2-adamantanone with zero amidicity and N,N-dimethylacetamide with 100% amidicity. Results indicate excellent coherence between the methods, which must be regarded as more reliable than a recently reported approach to amidicities based upon enthalpies of hydrogenation. Data for acyclic planar and twisted amides are predictable on the basis of the degrees of pyramidalization at nitrogen and twisting about the C-N bonds. Monocyclic lactams are predicted to have amidicities at least as high as N,N-dimethylacetamide, and the β-lactam system is planar with greater amide resonance than that of N,N-dimethylacetamide. Bicyclic penam/em and cepham/em scaffolds lose some amidicity in line with the degree of strain-induced pyramidalization at the bridgehead nitrogen and twist about the amide bond, but the most puckered penem system still retains substantial amidicity equivalent to 73% that of N,N-dimethylacetamide.
On Event Detection and Localization in Acyclic Flow Networks
Suresh, Mahima Agumbe
2013-05-01
Acyclic flow networks, present in many infrastructures of national importance (e.g., oil and gas and water distribution systems), have been attracting immense research interest. Existing solutions for detecting and locating attacks against these infrastructures have been proven costly and imprecise, particularly when dealing with large-scale distribution systems. In this article, to the best of our knowledge, for the first time, we investigate how mobile sensor networks can be used for optimal event detection and localization in acyclic flow networks. We propose the idea of using sensors that move along the edges of the network and detect events (i.e., attacks). To localize the events, sensors detect proximity to beacons, which are devices with known placement in the network. We formulate the problem of minimizing the cost of monitoring infrastructure (i.e., minimizing the number of sensors and beacons deployed) in a predetermined zone of interest, while ensuring a degree of coverage by sensors and a required accuracy in locating events using beacons. We propose algorithms for solving the aforementioned problem and demonstrate their effectiveness with results obtained from a realistic flow network simulator.
The effect of gaze direction on three-dimensional face recognition in infants.
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.
The effect of gaze direction on three-dimensional face recognition in infant brain activity.
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.
On-chip three-dimensional high-Q microcavities fabricated by femtosecond laser direct writing
Lin, Jintian; Yu, Shangjie; Ma, Yaoguang; Fang, Wei; Fei HE; Qiao, Lingling; Tong, Limin; Cheng, Ya; Xu, Zhizhan
2011-01-01
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. CO2 laser annealing is followed to smooth the microcavity surface. Microcavities with arbitrary tilting angle, lateral and vertical pos...
Direct Measurement of the Band Structure of a Buried Two-Dimensional Electron Gas
Miwa, Jill; Hofmann, Philip; Simmons, Michelle Y.;
2013-01-01
We directly measure the band structure of a buried two dimensional electron gas (2DEG) using angle resolved photoemission spectroscopy. The buried 2DEG forms 2 nm beneath the surface of p-type silicon, because of a dense delta-type layer of phosphorus n-type dopants which have been placed there. ...
Three-dimensional Modeling of Anode-supported Planar SOFC with Direct Internal Reforming
Qu, Z.; Aravind, P.V.; Ye, H.; Dekker, N.J.J.; Woudstra, N.; Verkooijen, A.H.M.
2009-01-01
This paper presents a three-dimensional model of an anode-supported planar SOFC with corrugated bipolar plates serving as gas channels and current collector above the active area of the cell, based on the direct internal reforming reaction of methane and the electrochemical reaction of hydrogen. A c
Direct numerical simulation of three-dimensional coherent structure in plane mixing layer
无
2001-01-01
The three-dimensional temporally evolving plane mixing layer is sinulated by directly solying the Navier-Stokes equations using pseudo-spectral method. The process of loss of stability, and the formation paring, and development of vortex are presented. The simulated result shows that the evolving characteristics of coherent structure are important mechanism of growing and entrainment of mixing layer.
Direct control of the small-scale energy balance in two-dimensional fluid dynamics
Frank, Jason; Leimkuhler, Benedict; Myerscough, Keith W.
2015-01-01
We explore the direct modification of the pseudo-spectral truncation of two-dimensional, incompressible fluid dynamics to maintain a prescribed kinetic energy spectrum. The method provides a means of simulating fluid states with defined spectral properties, for the purpose of matching simulation sta
SONG; Yuquan(宋玉泉); LIU; Shumei(刘术梅)
2002-01-01
Superplastic forming has been extensively applied to manufacture parts and components with complex shapes or high-precisions. However, superplastic formation is in multi-stress state. In a long time, uniaxial tensile constitutive equation has been directly generalized to deal with multi-stress state. Whether so doing is feasible or not needs to be proved in theory. This paper first summarizes the establishing processes of superplastic tensile and bulging constitutive equation with variable m, and, using the analytical expressions of equivalent stress ? and equivalent strain rateof free bulge based on the fundamentals of continuum medium plastic mechanics, derives the analytical expressions of optimum loading rules for superplastic free bulge. By comparing the quantitative results on typical superplastic alloy ZnAl22, it is shown that one-dimensional tensile constitutive equations cannot be directly generalized to deal with two-dimensional bulging quantitative mechanical problems; only superplastic bulging constitutive equation based on bulging stress state can be used to treat the quantitative mechanical problems of bulge.
Directional interlayer spin-valley transfer in two-dimensional heterostructures
Schaibley, John R.; Rivera, Pasqual; Yu, Hongyi; Seyler, Kyle L.; Yan, Jiaqiang; Mandrus, David G.; Taniguchi, Takashi; Watanabe, Kenji; Yao, Wang; Xu, Xiaodong
2016-12-01
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.
The Existence Condition of γ-Acyclic Database Schemes with MVDs Constraints
郝忠孝; 姚春龙
2002-01-01
It is very important to use database technology for a large-scale system such as ERP and MIS. A good database design may improve the performance of the system. Some researches show that a γ-acyclic database scheme has many good properties, e.g., each connected join expression is monotonous, which helps to improve query performance of the database system. Thus what conditions are needed to generate a γ-acyclic database scheme for a given relational scheme? In this paper, the sufficient and necessary condition of the existence of γ-acyclic, join-lossless and dependencies-preserved database schemes meeting 4NF is given.
An Algorithm for Determining Minimal Reduced—Coverings of Acyclic Database Schemes
刘铁英; 叶新铭
1996-01-01
This paper reports an algoritm(DTV)for deermining the minimal reducedcovering of an acyclic database scheme over a specified subset of attributes.The output of this algotithm contains not only minimum number of attributes but also minimum number of partial relation schemes.The algorithm has complexity O(|N|·|E|2),where|N| is the number of attributes and |E|the number of relation schemes.It is also proved that for Berge,γ or β acyclic database schemes,the output of algorithm DTV maintains the acyclicity correspondence.
A new upper bound on the acyclic chromatic indices of planar graphs
Wang, Weifan; Wang, Yiqiao
2012-01-01
An acyclic edge coloring of a graph $G$ is a proper edge coloring such that no bichromatic cycles are produced. The acyclic chromatic index $a'(G)$ of $G$ is the smallest integer $k$ such that $G$ has an acyclic edge coloring using $k$ colors. It was conjectured that $a'(G)\\le \\Delta+2$ for any simple graph $G$ with maximum degree $\\Delta$. In this paper, we prove that if $G$ is a planar graph, then $a'(G)\\leq\\Delta +7$. This improves a result by Basavaraju et al. [{\\em Acyclic edge-coloring of planar graphs}, SIAM J. Discrete Math., 25 (2011), pp. 463-478], which says that every planar graph $G$ satisfies $a'(G)\\leq\\Delta +12$.
Two new acyclic diterpene-y-lactones from the leaves of Salix matsudana
无
2002-01-01
Two new acyclic diterpene-(-lactones named hanliuine III (1) and hanliuine IV (2) were isolated from leaves of Salix matsudana (Chinese name "hanliu"). Their structures were deduced from spectral data.
Stabilization of acyclic water tetramer in a copper(II) malonate framework structure.
Deshpande, Megha S; Kumbhar, Avinash S; Näther, Christian
2010-10-14
Copper(II) complex [Cu(dpq)(mal)(H(2)O)]·3H(2)O (1) (dpq = dipyrido-[3,2-d:2',3'-f]-quinoxaline, mal = malonato) was synthesized and characterized by elemental analysis, infrared spectroscopy, thermogravimetric analysis and single-crystal X-ray crystallography. The single-crystal X-ray structure of 1 reveals a square pyramidal structure, with the dipyrido-[3,2-d:2',3'-f]-quinoxaline and malonato at the equatorial positions and a water molecule at the axial position. The molecule acts as a building block generating a supramolecular three-dimensional metal-organic framework (MOF) encapsulating metal linked acyclic water tetramer. The H-bonding capacity of malonato and the π-π stacking interactions of dipyrido-[3,2-d:2',3'-f]-quinoxaline further reinforce the framework. The copper(II) bound hydroxyl group is demonstrated to mediate hydrolytic cleavage of plasmid pBR322 DNA under dark conditions.
Mei, Tian-Sheng; Werner, Erik W; Burckle, Alexander J; Sigman, Matthew S
2013-05-08
A general, highly selective asymmetric redox-relay oxidative Heck reaction using achiral or racemic acyclic alkenols and boronic acid derivatives is reported. This reaction delivers remotely functionalized arylated carbonyl products from acyclic alkenol substrates, with excellent enantioselectivity under mild conditions, bearing a range of useful functionality. A preliminary mechanistic investigation suggests that the regioselectivity of the initial migratory insertion is highly dependent on the electronic nature of the boronic acid and more subtle electronic effects of the alkenyl alcohol.
Kulikovsky, A. A.; Divisek, J.; Kornyshev, Yu. M.
2000-01-01
A two-dimensional numerical model of the direct methanol fuel cell with gas fuel is developed. Simulation of the cell with current collectors of conventional geometry reveal the formation of fuel-depleted, "shaded" regions in the cathode and anode catalyst layers. These regions are positioned in front of current collectors, farther from the gas channel windows. Another disadvantage of the conventional geometry is the concentration of electron current at the edges of current collectors. Based ...
Structural Interactions within Lithium Salt Solvates. Acyclic Carbonates and Esters
Afroz, Taliman [North Carolina State Univ., Raleigh, NC (United States); Seo, D. M. [North Carolina State Univ., Raleigh, NC (United States); Han, Sang D. [North Carolina State Univ., Raleigh, NC (United States); Boyle, Paul D. [North Carolina State Univ., Raleigh, NC (United States); Henderson, Wesley A. [North Carolina State Univ., Raleigh, NC (United States); Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
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}:LiPF_{6}, (DMC)1:LiCF_{3}SO_{3}, (DMC)_{1/4}:LiBF_{4}, (DEC)_{2}:LiClO_{4}, (DEC)_{1}:LiClO_{4} and (DEC)_{1}:LiCF_{3}SO_{3} and four with the structurally related methyl and ethyl acetate: (MA)_{2}:LiClO_{4}, (MA)_{1}:LiBF_{4}, (EA)_{1}:LiClO_{4} and (EA)_{1}:LiBF_{4}.
Full-parallax three-dimensional display using new directional diffuser
Shuai Li; Haifeng Li; Zhenrong Zheng; Yifan Peng; Shicong Wang; Xu Liu
2011-01-01
@@ A full-parallax three-dimensional(3D) display using a new directional diffuser is demonstrated.The display could present 3D images with 45 views comprising 9 horizontal views by 5 vertical views.The resolution and size of the 3D images displayed are 226×226 pixels and 300×300(mm).The new directional diffuser consisting of two perpendicular lenticular sheets can be widely used in the display domain owing to its low cost and simple process.%A full-parallax three-dimensional (3D) display using a new directional diffuser is demonstrated. The display could present 3D images with 45 views comprising 9 horizontal views by 5 vertical views. The resolution and size of the 3D images displayed are 226×226 pixels and 300×300 (mm). The new directional diffuser consisting of two perpendicular lenticular sheets can be widely used in the display domain owing to its low cost and simple process.
Mapping Dimensionality and Directionality of Electronic Behavior in CeCoIn5: the Normal State
Gyenis, Andras; Feldman, Benjamin E.; Randeria, Mallika T.; Peterson, Gabriel A.; Aynajian, Pegor; Bauer, Eric D.; Yazdani, Ali
Materials made from alternating layers of different constituents can exhibit dramatic variability in their electronic properties depending on which layer is probed. This is evident in the heavy fermion compound CeCoIn5, where scanning tunneling microscopy (STM) has revealed preferential coupling to either light or heavy electron states depending on the surface termination. Here we report STM measurements of CeCoIn5 cleaved perpendicular to its basal plane that clearly shows the quasi-two-dimensional nature of the electronic behavior on a single (100) surface. We observe atomic scale modulation of tunneling into the light and heavy electron bands in the c-axis direction, with no variation visible along the basal planes in the b-axis direction. In addition, conductance maps reveal preferential scattering along the two-dimensional basal planes. Our measurements highlight the reduced effective dimensionality of electronic states in CeCoIn5, and underscore the potential insight that can be gained by imaging layered materials perpendicular to their c-axis.
Dimensional and material characteristics of direct deposited tool steel by CO II laser
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.
Abe, K.; Ito, K.; Suezawa, H.; Hirota, M.; Nishio, M.
1986-10-01
Conformations of a series of acyclic alcohols (CH/sub 3/CH(R)CH(OH)CH/sub 3/, CH/sub 3/CH(R)CH(OH)CH(R')CH/sub 3/, and CH/sub 3/CH(R)CH(OH)Bu/sup t/) were studied (1) by measuring vicinal H-H coupling constants (/sup 3/JH-H), (2) by lanthanoid-induced shift (LIS) analysis, (3) by molecular mechanics calculations (MM2), and (4) by ab initio (STO-3G, 4-31G geometry optimization) calculations. In the case of conformationally flexible alcohols as exemplified by 2-butanol and 3-pentanol, population of conformers determined by the LIS method do not agree with those determined by the /sup 3/JH-H, MM2, and ab initio methods. The discrepancy comes from the fact that the LIS measurement gives the most stable conformation of the alcohol in the LSR-alcohol complex and not of the free alcohol. In some flexible molecules, the most stable conformer in the complex can be different from that of the free molecule. In general, the conformational equilibrium is shifted by coordination of the shift reagent to the conformer whose alkyl chain stretches opposite to the direction of the coordination site of the shift reagent. 21 references, 1 figure, 6 tables.
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.
Alternating Direction Finite Volume Element Methods for Three-Dimensional Parabolic Equations
Tongke
2010-01-01
This paper presents alternating direction finite volume element methods for three-dimensional parabolic partial differential equations and gives four computational schemes, one is analogous to Douglas finite difference scheme with second-order splitting error, the other two schemes have third-order splitting error, and the last one is an extended LOD scheme. The L2 norm and H1 semi-norm error estimates are obtained for the first scheme and second one, respectively. Finally, two numerical examples are provided to illustrate the efficiency and accuracy of the methods.
Direct writing of three-dimensional woodpile BaTiO3 structures
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.
Bergeon, N; Tourret, D; Chen, L; Debierre, J-M; Guérin, R; Ramirez, A; Billia, B; Karma, A; Trivedi, R
2013-05-31
We report results of directional solidification experiments conducted on board the International Space Station and quantitative phase-field modeling of those experiments. The experiments image for the first time in situ the spatially extended dynamics of three-dimensional cellular array patterns formed under microgravity conditions where fluid flow is suppressed. Experiments and phase-field simulations reveal the existence of oscillatory breathing modes with time periods of several 10's of minutes. Oscillating cells are usually noncoherent due to array disorder, with the exception of small areas where the array structure is regular and stable.
Three-dimensional hypersonic rarefied flow calculations using direct simulation Monte Carlo method
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.
How to derive Feynman diagrams for finite-dimensional integrals directly from the BV formalism
Gwilliam, Owen
2012-01-01
The Batalin-Vilkovisky formalism in quantum field theory was originally invented to avoid the difficult problem of finding diagrammatic descriptions of oscillating integrals with degenerate critical points. But since then, BV algebras have become interesting objects of study in their own right, and mathematicians sometimes have good understanding of the homological aspects of the story without any access to the diagrammatics. In this note we reverse the usual direction of argument: we begin by asking for an explicit calculation of the homology of a BV algebra, and from it derive Wick's Theorem and the other Feynman rules for finite-dimensional integrals.
Tunable self-assembly of one-dimensional nanostructures with orthogonal directions
Allan Milan
2007-01-01
Full Text Available AbstractHigh-temperature exposure of a Mo(110 surface to borazine (HBNH3leads to the formation of two distinctly different self-assembling nanostructures. Depending on the substrate temperature during preparation, either well-aligned, ultra-thin boron nanowires or a single-layer stripe structure of hexagonal boron nitride forms. Both structures show one-dimensional (1D characteristics, but in directions perpendicular to each other. It is also possible to grow the two phases in coexistence. The relative weights are controlled by the sample temperature during preparation.
Full three-dimensional direction-dependent x-ray scattering tomography
Zhu, Zheyuan; Pang, Shuo
2017-03-01
Small-angle X-ray scattering (SAXS) detects the angular-dependent, coherently scattered X-ray photons, which provide improved contrast among different types of tissues or materials in medical diagnosis and material characterizations. By combining SAXS with computed tomography (CT), coherent scattering computed tomography (CSCT) enables the detection of spatially-resolved, material-specific scattering profile inside an extended object. However, conventional CSCT lacks the ability to distinguish direction-dependent coherent scattering signal, because of its assumptions that the materials are amorphous with isotropic scattering profiles. To overcome this issue, we propose a new CSCT imaging strategy, which can resolve the three-dimensional scattering profile for each object pixel, by incorporating detector movement into each CSCT projection measurement. The full reconstruction of the three-dimensional momentum transfer profile of a two-dimensional object has been successfully demonstrated. Our setup only requires a table-top Xray source and a panel detector. The presented method demonstrates the potential to achieve low-cost, high-specificity X-ray tissue imaging and material characterization.
Rivera, Nicholas; Hsu, Chia Wei; Zhen, Bo; Buljan, Hrvoje; Joannopoulos, John D.; Soljačić, Marin
2016-09-01
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.
Optical tuning of three-dimensional photonic crystals fabricated by femtosecond direct writing
McPhail, Dennis; Straub, Martin; Gu, Min
2005-08-01
In this letter, we report on an optically tunable three-dimensional photonic crystal that exhibits main gaps in the 3-4μm range. The photonic crystal is manufactured via a femtosecond direct writing technique. Optical tuning is achieved by a luminary polling technique with a low-power polarized laser beam. The refractive index variation resulting from liquid-crystal rotation causes a shift in the photonic band gap of up to 65 nm with an extinction of transmission of up to 70% in the stacking direction. Unlike other liquid-crystal tuning techniques where a pregenerated structure is infiltrated, this optical tuning method is a one-step process that allows arbitrary structures to be written into a solid liquid-crystal-polymer composite and leads to a high dielectric contrast.
Directly measuring of thermal pulse transfer in one-dimensional highly aligned carbon nanotubes.
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 mm(2)/s. The thermal conductivities of these SACNT buckypapers were also calculated by the equation k = Cpαρ.
Bandgaps and directional properties of two-dimensional square beam-like zigzag lattices
Wang, Yan-Feng; Wang, Yue-Sheng, E-mail: yswang@bjtu.edu.cn [Institute of Engineering Mechanics, Beijing Jiaotong University, Beijing 100044 (China); Zhang, Chuanzeng [Department of Civil Engineering, University of Siegen, Siegen 57068 (Germany)
2014-12-15
In this paper we propose four kinds of two-dimensional square beam-like zigzag lattice structures and study their bandgaps and directional propagation of elastic waves. The band structures are calculated by using the finite element method. Both the in-plane and out-of-plane waves are investigated simultaneously via the three-dimensional Euler beam elements. The mechanism of the bandgap generation is analyzed by studying the vibration modes at the bandgap edges. The effects of the geometry parameters of the xy- and z-zigzag lattices on the bandgaps are investigated and discussed. Multiple complete bandgaps are found owing to the separation of the degeneracy by introducing bending arms. The bandgaps are sensitive to the geometry parameters of the periodic systems. The deformed displacement fields of the harmonic responses of a finite lattice structure subjected to harmonic loads at different positions are illustrated to show the directional wave propagation. An extension of the proposed concept to the hexagonal lattices is also presented. The research work in this paper is relevant to the practical design of cellular structures with enhanced vibro-acoustics performance.
Acyclic edge colorings of planar graphs and series-parallel graphs
无
2009-01-01
A proper edge coloring of a graph G is called acyclic if there is no 2-colored cycle in G. The acyclic edge chromatic number of G, denoted by a (G), is the least number of colors in an acyclic edge coloring of G. Alon et al. conjectured that a (G) Δ(G) + 2 for any graphs. For planar graphs G with girth g(G), we prove that a (G) max{2Δ(G) + 2, Δ(G) + 22} if g(G) 3, a (G) Δ(G) + 2 if g(G) 5, a (G) Δ(G) + 1 if g(G) 7, and a (G) = Δ(G) if g(G) 16 and Δ(G) 3. For series-parallel graphs G, we have a (G) Δ(G) + 1.
Ogata, Aya; Maeda, Yusuke; Ueno, Yoshihito
2017-02-17
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.
Acyclic monoterpenes in tree essential oils as a shrinking agent for waste-expanded polystyrene.
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.
Catalytic Enantioselective Electrophilic Aminations of Acyclic α-Alkyl β-Carbonyl Nucleophilies.
Liu, Xiaofeng; Sun, Bingfeng; Deng, Li
2009-06-01
Highly enantioselective aminations of acyclic α-alkyl β-keto thioesters and trifluoroethyl α-methyl α-cyanoacetate (12) with as low as 0.05 mol % of a bifunctional cinchona alkaloid catalyst were established. This ability to afford highly enantioselectivity for the amination of α-alkyl β-carbonyl compounds renders the 6'-OH cinchona alkaloid-catalyzed amination applicable for the enantioselective synthesis of acyclic chiral compounds bearing N-substituted quaternary stereocenters. The synthetic application of this reaction is illustrated in a concise asymmetric synthesis of α-methylserine, a key intermediate previously utilized in the total synthesis of a small molecule immunomodulator, conagenin.
Three dimensional graphene transistor for ultra-sensitive pH sensing directly in biological media
Ameri, Shideh Kabiri; Singh, Pramod K.; Sonkusale, Sameer R., E-mail: sameer@ece.tufts.edu
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 (HfO{sub 2}), 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 (HfO{sub 2}) 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. - Graphical abstract: (a) Test setup – Direct rat blood serum pH measurements (b) Measured transfer characteristics of the transistor for blood serum at different pH values, and (c) Zoomed in version around direct point. - Highlights: • A three-dimensional graphene transistor for pH sensing is presented. • It shows sensitivity of 71 ± 7 mV/pH even in high ionic strength media. • High sensitivity attributed to 3D foam structure and all-around liquid gating. • Enables real-time pH sensing in biological media without need of desaltation.
Suzuki, Toshiya; Mochizuki, Takashi; Ushimizu, Hidetaka; Miyazawa, Shinya; Tsurui, Nobuhiro; Masuda, Kohji
2017-07-01
Although we have already experimented on the bending of a thin catheter with acoustic radiation force using a single transducer, it is necessary to develop a method of bending a catheter in an arbitrary direction because the installation position of ultrasound transducers on a body surface is limited for application to various shapes of in vivo blood vessels. Therefore, we examined the bending of a thin catheter in the direction perpendicular to ultrasound propagation using a two-dimensional array transducer (1 MHz), which realizes not only the temporospatial design but also the dynamic variation of acoustic fields. Forming two focal points with opposite phases, where the amplitudes of the two points instantaneously have the positive and negative relationship, we confirmed the bending of a thin catheter in the direction perpendicular to ultrasound propagation. We used a thin catheter (diameter, 200 µm length, 50 mm) to obtain the maximum displacement of 220 µm, where the displacement was proportional to the square of the maximum sound pressure and the duty ratio. From these results, the acoustic energy densities observed in front of and behind the catheter are dominant for the bending of the thin catheter independent of ultrasound propagation. We also found that the distance between two focal points may improve the bending performance without requiring a precise position setting.
Three dimensional graphene transistor for ultra-sensitive pH sensing directly in biological media.
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.
Direct current hopping conductance in one-dimensional diagonal disordered systems
Ma Song-Shan; Xu Hui; Liu Xiao-Liang; Xiao Jian-Rong
2006-01-01
Based on a tight-binding disordered model describing a single electron band, we establish a direct current (dc) electronic hopping transport conductance model of one-dimensional diagonal disordered systems, and also derive a dc conductance formula. By calculating the dc conductivity, the relationships between electric field and conductivity and between temperature and conductivity are analysed, and the role played by the degree of disorder in electronic transport is studied. The results indicate the conductivity of systems decreasing with the increase of the degree of disorder, characteristics of negative differential dependence of resistance on temperature at low temperatures in diagonal disordered systems, and the conductivity of systems decreasing with the increase of electric field, featuring the non-Ohm's law conductivity.
Kim, Kwon-Ho; Kumar, Brijesh; Lee, Keun Young; Park, Hyun-Kyu; Lee, Ju-Hyuck; Lee, Hyun Hwi; Jun, Hoin; Lee, Dongyun; Kim, Sang-Woo
2013-06-01
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.
The direct enstrophy cascade of two-dimensional soap film flows
Rivera, Mike; Ecke, Robert
2013-01-01
We investigate the direct enstrophy cascade of two-dimensional decaying turbulence in a flowing soap film channel. We use a coarse-graining approach that allows us to resolve the nonlinear dynamics and scale-coupling simultaneously in scale and in space. From our data, we calculate the transfer of enstrophy across scale $\\ell$ at every point $\\bx$ in the flow domain. We verify an exact relation due to Eyink (1995) between traditional 3rd-order structure function and the enstrophy flux obtained by coarse-graining. We also present experimental evidence that enstrophy cascades to smaller (larger) scales with a 60% (40%) probability, in support of theoretical predictions by Merilees & Warn (1975). Using an Eulerian coherent structure identification technique, we then determine the effect of flow topology on the enstrophy cascade. A key finding is that "centers" are inefficient at transferring enstrophy between scales, in contrast to "saddle" regions which transfer enstrophy to small scales with high efficienc...
Two-Dimensional Simulation of Hydrogen Direct-Current Discharge Plasma
LIU Jingye; ZHANG Ming
2012-01-01
A two-dimensional model of a weakly-ionized hydrogen direct-current （DC） discharge at low pressure is simulated. In the model, the metal electron overflow and secondary electron emission coefficient at the cathode spot axe introduced to represent the relationship between the electron and ion density, and the electron energy distribution function is expressed by kinetic theory. The electron current density and reaction constant reasonably set on the boundary are discussed. It is determined that 11 collision reactions play a major role in low pressure and weakly ionized hydrogen discharge. On this basis, the relationship between mobility, electrode spacing, and breakdown voltage is verified. Good agreement is achieved between the simulation curve and Paschen curve.
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) .
Direct Numerical Simulation of Three-Dimensional Richtmyer-Meshkov Instability
FU De-Xun; MA Yan-Wen; LI Xin-Liang
2008-01-01
Direct numerical simulation(DNS)is used to study flow characteristics after interaction of a planar shock with a spherical media interface in each side of which the density is different.This interfacial instability is known as the Richtmyer-Meshkov(R-M)instability.The compressible Nayier-Stoke equations are discretized with group velocity control(GVC)modified fourth order accurate compact difference scheme.Three-dimensional numerical simulations are performed for R-M instability installed passing a shock through a spherical interface.Based on numerical results the characteristics of 3D R-M instability are analysed.The evaluation for distortion of the interface.the deformation of the incident shock wave and effects of refraction,reflection and diffraction are Dresented.The effects of the interfacial instability on produced vorticity and mixing is discussed.
Extracting quantitative three-dimensional unsteady flow direction from tuft flow visualizations
Omata, Noriyasu; Shirayama, Susumu
2017-10-01
We focus on the qualitative but widely used method of tuft flow visualization, and propose a method for quantifying it using information technology. By applying stereo image processing and computer vision, the three-dimensional (3D) flow direction in a real environment can be obtained quantitatively. In addition, we show that the flow can be divided temporally by performing appropriate machine learning on the data. Acquisition of flow information in real environments is important for design development, but it is generally considered difficult to apply simulations or quantitative experiments to such environments. Hence, qualitative methods including the tuft method are still in use today. Although attempts have been made previously to quantify such methods, it has not been possible to acquire 3D information. Furthermore, even if quantitative data could be acquired, analysis was often performed empirically or qualitatively. In contrast, we show that our method can acquire 3D information and analyze the measured data quantitatively.
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.
Two-dimensional boron-nitrogen-carbon monolayers with tunable direct band gaps
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 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 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
Naoya Suzuki; Naoto Ebuchi; Chaofang Zhao; Isao Watabe; Yasuhiro Sugimori
2002-09-01
Relationship between the non-dimensional roughness length and inverse of wave age has been discussed without consideration of wave directions, though wind wave field consists of various directional component waves. In this study we observe wave heights by an array of four wave gauges at the Hiratsuka Tower of (Independent Administrative Institution) National Research Institute for Earth Science and Disaster Prevention (NIED), Japan, and discuss the effect of wave directionality. As a result, the data sets were classified into two different groups according to the directional wave spectrum distribution. In case 1 only swell and wind waves exist and in case 2 there exist wave components from several directions. It is shown that the case of multiple- directional component waves (case 2) may affect the non-dimensional roughness length and friction velocity.
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.
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.
Direct Ink Writing of Three-Dimensional (K, NaNbO3-Based Piezoelectric Ceramics
Yayun Li
2015-04-01
Full Text Available A kind of piezoelectric ink was prepared with Li, Ta, Sb co-doped (K, NaNbO3 (KNN powders. Piezoelectric scaffolds with diameters at micrometer scale were constructed from this ink by using direct ink writing method. According to the micro-morphology and density test, the samples sintered at 1100 °C for 2 h have formed ceramics completely with a high relative density of 98%. X-ray diffraction (XRD test shows that the main phase of sintered samples is orthogonal (Na0.52K0.4425Li0.0375(Nb0.87Sb0.07Ta0.06O3. The piezoelectric constant d33 of 280 pC/N, dielectric constant ε of 1775, remanent polarization Pr of 18.8 μC/cm2 and coercive field Ec of 8.5 kV/cm prove that the sintered samples exhibit good electrical properties. The direct ink writing method allows one to design and rapidly fabricate piezoelectric structures in complex three-dimensional (3D shapes without the need for any dies or lithographic masks, which will simplify the process of material preparation and offer new ideas for the design and application of piezoelectric devices.
Phase-field study of three-dimensional steady-state growth shapes in directional solidification.
Gurevich, Sebastian; Karma, Alain; Plapp, Mathis; Trivedi, Rohit
2010-01-01
We use a quantitative phase-field approach to study directional solidification in various three-dimensional geometries for realistic parameters of a transparent binary alloy. The geometries are designed to study the steady-state growth of spatially extended hexagonal arrays, linear arrays in thin samples, and axisymmetric shapes constrained in a tube. As a basis to address issues of dynamical pattern selection, the phase-field simulations are specifically geared to identify ranges of primary spacings for the formation of the classically observed "fingers" (deep cells) with blunt tips and "needles" with parabolic tips. Three distinct growth regimes are identified that include a low-velocity regime with only fingers forming, a second intermediate-velocity regime characterized by coexistence of fingers and needles that exist on separate branches of steady-state growth solutions for small and large spacings, respectively, and a third high-velocity regime where those two branches merge into a single one. Along the latter, the growth shape changes continuously from fingerlike to needlelike with increasing spacing. These regimes are strongly influenced by crystalline anisotropy with the third regime extending to lower velocity for larger anisotropy. Remarkably, however, steady-state shapes and tip undercoolings are only weakly dependent on the growth geometry. Those results are used to test existing theories of directional finger growth as well as to interpret the hysteretic nature of the cell-to-dendrite transition.
Antiviral effect of ribavirin and acyclic nucleosid phosphonates against Radish mosaic virus
VOZÁBOVÁ, Tereza
2010-01-01
Evaluation of the antiviral effectiveness of ribavirin and acyclic nucleotide phosphonates to radish mosaic virus. Virus inoculation of plants with RaMV and immunological assay of the virus by ELISA. Subsequent application of antiviral agents and monitoring relative content of the virus in plants. Subsequent processing of data in tables and graphs, and then statistical evaluation.
Metabolism of acyclic and cyclic N-nitrosamines in cultured human bronchi
1977-01-01
bronchial specimens, these N-nitrosamines and/or their metabolites bound to bronchial mucosal DNA and protein. Binding levels were higher to protein than to DNA. Binding levels of DNP were as high as those with the two acyclic N-nitrosamines DMN and DEN, but binding levels of NPy and NPd were lower. Human...
Social factors influence ovarian acyclicity in captive African elephants (Loxodonta africana).
Freeman, Elizabeth W; Guagnano, Greg; Olson, Deborah; Keele, Mike; Brown, Janine L
2009-01-01
Nearly one-third of reproductive age African elephants in North America that are hormonally monitored fail to exhibit estrous cycle activity, which exacerbates the nonsustainability of the captive population. Three surveys were distributed to facilities housing female African elephants to determine how social and environmental variables contribute to cyclicity problems. Forty-six facilities returned all three surveys providing information on 90% of the SSP population and 106 elephants (64 cycling, 27 noncycling and 15 undetermined). Logistic analyses found that some physiological and social history variables were related to ovarian acyclicity. Females more likely to be acyclic had a larger body mass index and had resided longer at a facility with the same herdmates. Results suggest that controlling the weight of an elephant might be a first step to helping mitigate estrous cycle problems. Data further show that transferring females among facilities has no major impact on ovarian activity. Last, social status appears to impact cyclicity status; at 19 of 21 facilities that housed both cycling and noncycling elephants, the dominant female was acyclic. Further studies on how social and environmental dynamics affect hormone levels in free-living, cycling elephants are needed to determine whether acyclicity is strictly a captivity-related phenomenon.
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. Copyright © 2014 Elsevier B.V. All rights reserved.
A two-dimensional adaptive spectral element method for the direct simulation of incompressible flow
Hsu, Li-Chieh
The spectral element method is a high order discretization scheme for the solution of nonlinear partial differential equations. The method draws its strengths from the finite element method for geometrical flexibility and spectral methods for high accuracy. Although the method is, in theory, very powerful for complex phenomena such as transitional flows, its practical implementation is limited by the arbitrary choice of domain discretization. For instance, it is hard to estimate the appropriate number of elements for a specific case. Selection of regions to be refined or coarsened is difficult especially as the flow becomes more complex and memory limits of the computer are stressed. We present an adaptive spectral element method in which the grid is automatically refined or coarsened in order to capture underresolved regions of the domain and to follow regions requiring high resolution as they develop in time. The objective is to provide the best and most efficient solution to a time-dependent nonlinear problem by continually optimizing resource allocation. The adaptivity is based on an error estimator which determines which regions need more resolution. The solution strategy is as follows: compute an initial solution with a suitable initial mesh, estimate errors in the solution locally in each element, modify the mesh according to the error estimators, interpolate old mesh solutions onto the new elements, and resume the numerical solution process. A two-dimensional adaptive spectral element method for the direct simulation of incompressible flows has been developed. The adaptive algorithm effectively diagnoses and refines regions of the flow where complexity of the solution requires increased resolution. The method has been demonstrated on two-dimensional examples in heat conduction, Stokes and Navier-Stokes flows.
Itsuki Banno; Kazumi Fujima
2007-01-01
A determinantal formula is developed for direct evaluation of transition amplitude without solving the wave equation in a one-dimensional potential scattering system. Our formulation is based on the principle that a desired quantity can be extracted from the wave operator, which is the master operator maintaining all the information of the system. This principle is tested in a simplified system, I.e., in a one-dimensional potential scattering system. We are now developing a formula for direct evaluation of near-field amplitude to design a system, in which local Geld enhancement is desired.
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.
Two-dimensional vanadium-doped ZnO nanosheet-based flexible direct current nanogenerator.
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.
Graph Grammar-Based Multi-Frontal Parallel Direct Solver for Two-Dimensional Isogeometric Analysis
Kuźnik, Krzysztof
2012-06-02
This paper introduces the graph grammar based model for developing multi-thread multi-frontal parallel direct solver for two dimensional isogeometric finite element method. Execution of the solver algorithm has been expressed as the sequence of graph grammar productions. At the beginning productions construct the elimination tree with leaves corresponding to finite elements. Following sequence of graph grammar productions generates element frontal matri-ces at leaf nodes, merges matrices at parent nodes and eliminates rows corresponding to fully assembled degrees of freedom. Finally, there are graph grammar productions responsible for root problem solution and recursive backward substitutions. Expressing the solver algorithm by graph grammar productions allows us to explore the concurrency of the algorithm. The graph grammar productions are grouped into sets of independent tasks that can be executed concurrently. The resulting concurrent multi-frontal solver algorithm is implemented and tested on NVIDIA GPU, providing O(NlogN) execution time complexity where N is the number of degrees of freedom. We have confirmed this complexity by solving up to 1 million of degrees of freedom with 448 cores GPU.
Two Dimensional Simulations of Plastic-Shell, Direct-Drive Implosions on OMEGA
Radha, P B; Goncharov, V N; Collins, T B; Delettrez, J A; Elbaz, Y; Glebov, V Y; Keck, R L; Keller, D E; Knauer, J P; Marozas, J A; Marshall, F J; McKenty, P W; Meyerhofer, D D; Regan, S P; Sangster, T C; Shvarts, D; Skupsky, S; Srebro, Y; Town, R J; Stoeckl, C
2004-09-27
Multidimensional hydrodynamic properties of high-adiabat direct-drive plastic-shell implosions on the OMEGA laser system [T. R. Boehly et al., Opt. Commun. 133, 495 (1997)] are investigated using the multidimensional hydrodynamic code, DRACO. Multimode simulations including the effects of nonuniform illumination and target roughness indicate that shell stability during the acceleration phase plays a critical role in determining target performance. For thick shells that remain integral during the acceleration phase, target yields are significantly reduced by the combination of the long-wavelength ({ell} < 10) modes due to surface roughness and beam imbalance and the intermediate modes (20 {le} {ell} {le} 50) due to single-beam nonuniformities. The neutron-production rate for these thick shells truncates relative to one-dimensional (1-D) predictions. The yield degradation in the thin shells is mainly due to shell breakup at short wavelengths ({lambda} {approx} {Delta}, where {Delta} is the in-flight shell thickness). The neutron-rate curves for the thinner shells have significantly lower amplitudes and a fall-off that is less steep than 1-D rates. DRACO simulation results are consistent with experimental observations.
Kuznetsov, E A
2015-01-01
Statistical characteristics of the Kraichnan direct cascade for two-dimensional hydrodynamic turbulence are numerically studied (with spatial resolution $8192\\times 8192$) in the presence of pumping and viscous-like damping. It is shown that quasi-shocks of vorticity and their Fourier partnerships in the form of jets introduce an essential influence in turbulence leading to strong angular dependencies for correlation functions. The energy distribution as a function of modulus $k$ for each angle in the inertial interval has the Kraichnan behavior, $\\sim k^{-4}$, and simultaneously a strong dependence on angles. However, angle average provides with a high accuracy the Kraichnan turbulence spectrum $E_k=C_K\\eta^{2/3} k^{-3}$ where $\\eta$ is enstrophy flux and the Kraichnan constant $C_K\\simeq 1.3$, in correspondence with the previous simulations. Familiar situation takes place for third-order velocity structure function $S_3^L$ which, as for the isotropic turbulence, gives the same scaling with respect to separa...
Three-Dimensional Study of Yield Degradation for Direct-Drive Inertial Confinement Fusion
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.
A multi-dimensional finite volume cell-centered direct ALE solver for hydrodynamics
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.
Two-dimensional simulation of a direct-current microhollow cathode discharge
Kothnur, Prashanth S.; Raja, Laxminarayan L.
2005-02-01
Microhollow cathode discharges (MHCD's) are miniature direct-current discharges that operate at elevated pressures (several tens to hundreds of Torr) with electrode dimensions in the 10-100-μm range. MHCD's have been proposed for a number of applications based on their unique characteristics such as presence of intense excimer radiation and significant gas heating within the submillimeter discharge volume. A two-dimensional, self-consistent fluid model of a helium MHCD in the high-pressure (several hundreds of Torr), high-current (˜1mA) operating regime is presented in this study. Results indicate that the MHCD operates in an abnormal glow discharge mode with charged and excited metastable species with densities of ˜1020m-3, electron temperatures of approximately tens of eV, and gas temperatures of hundreds of Kelvin above room temperature. Significant discharge activity exists outside of the hollow region. The discharge volume and intensity increases with increasing current and becomes more confined with increasing pressures. Most predictions presented in this paper are in qualitative and quantitative agreement with experimental data for MHCD's under similar conditions.
Direct test of defect-mediated laser-induced melting theory for two-dimensional solids.
Chaudhuri, Debasish; Sengupta, Surajit
2006-01-01
We investigate by direct numerical solution of appropriate renormalization flow equations the validity of a recent dislocation unbinding theory for laser-induced freezing and melting in two dimensions. The bare elastic moduli and dislocation fugacities are obtained for three different two-dimensional systems namely, the hard disk, inverse 12th power, and Derjaguin-Landau-Verwey-Overbeek potentials. A restricted Monte Carlo simulation sampling only configurations without dislocations is used to obtain these quantities. These are then used as inputs to the flow equations. Numerical solution of the flow equations then yields the phase diagrams. We conclude that (a) the flow equations need to be correct at least up to third order in defect fugacity to reproduce meaningful results, (b) there is excellent quantitative agreement between our results and earlier conventional Monte Carlo simulations for the hard disk system, and (c) while the qualitative form of the phase diagram is reproduced for systems with soft potentials there is some quantitative discrepancy which we explain.
Chan, Leon; MacDonald, Michael; Chung, Daniel; Hutchins, Nicholas; Ooi, Andrew
2014-11-01
Direct Numerical Simulations (DNS) are conducted at low to medium Reynolds numbers for a turbulent pipe flow with roughness. The roughness, which is comprised of three-dimensional sinusoidal elements, causes a downward shift in the mean velocity profile known as the Hama roughness function ΔU+ . In engineering applications, ΔU+ (which is related to the coefficient of drag Cf) is an important parameter as it is used to quantify the increase in drag and the decrease in efficiency. To have a better understanding of roughness and how it affects the flow, a range of numerical studies were conducted where the roughness height h+, wavelength λ+ and Reynolds number of the flow are varied. For the range of cases simulated, it is found that the roughness average height ka+ (which is proportional to h+) is strongly correlated to the roughness function ΔU+ whereas λ+ has a weaker influence on the flow. Results from simulations of more complicated surfaces comprised of two superimposed modes of different wavelength are also presented. Analysis of the turbulence statistics convincingly supports Townsend's outer-layer hypothesis for all of the cases simulated.
Widbiller, M; Lindner, S R; Buchalla, W; Eidt, A; Hiller, K-A; Schmalz, G; Galler, K M
2016-03-01
Calcium silicate cements are biocompatible dental materials applicable in contact with vital tissue. The novel tricalcium silicate cement Biodentine™ offers properties superior to commonly used mineral trioxide aggregate (MTA). Objective of this study was to evaluate its cytocompatibility and ability to induce differentiation and mineralization in three-dimensional cultures of dental pulp stem cells after direct contact with the material. Test materials included a new tricalcium silicate (Biodentine™, Septodont, Saint-Maur-des-Fossés, France), MTA (ProRoot® MTA, DENSPLY Tulsa Dental Specialities, Johnson City, TN, USA), glass ionomer (Ketac™ Molar Aplicap™, 3M ESPE, Seefeld, Germany), human dentin disks and polystyrene. Magnetic activated cell sorting for to the surface antigen STRO-1 was performed to gain a fraction enriched with mesenchymal stem cells. Samples were allowed to set and dental pulp stem cells in collagen carriers were placed on top. Scanning electron microscopy of tricalcium silicate cement surfaces with and without cells was conducted. Cell viability was measured for 14 days by MTT assay. Alkaline phosphatase activity was evaluated (days 3, 7, and 14) and expression of mineralization-associated genes (COL1A1, ALP, DSPP, and RUNX2) was quantified by real-time quantitative PCR. Nonparametric statistical analysis for cell viability and alkaline phosphatase data was performed to compare different materials as well as time points (Mann-Whitney U test, α = 0.05). Cell viability was highest on tricalcium silicate cement, followed by MTA. Viability on glass ionomer cement and dentin disks was significantly lower. Alkaline phosphatase activity was lower in cells on new tricalcium silicate cement compared to MTA, whereas expression patterns of marker genes were alike. Increased cell viability and similar levels of mineralization-associated gene expression in three-dimensional cell cultures on the novel tricalcium silicate cement and mineral
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.
A Direct Calculation of Critical Exponents of Two-Dimensional Anisotropic Ising Model
XIONG Gang; WANG Xiang-Rong
2006-01-01
Using an exact solution of the one-dimensional quantum transverse-field Ising model, we calculate the critical exponents of the two-dimensional anisotropic classicalIsing model (IM). We verify that the exponents are the same as those of isotropic classical IM. Our approach provides an alternative means of obtaining and verifying these well-known results.
Nasr-Esfahani Masoud
2012-01-01
Full Text Available A rapid and convenient preparation of acyclic imides by the reaction of aliphatic and aromatic nitriles with acyclic carboxylic anhydride in the presence of catalytic amounts of p-toluenesulfonic acid under thermal or ultrasonic conditions is reported. The advantages of this procedure are moderate reaction times, good to excellent yields, use of inexpensive and ecofriendly catalyst. The reaction of nitriles with aliphatic anhydrides proceeds in thermal conditions, while by the use of ultrasound irradiations these reactions get accelerated.
Lee, David; Ge, Yi; Cha, Soyoung Stephen; Ramachandran, Narayanan; Rose, M. Franklin (Technical Monitor)
2001-01-01
Measurement of three-dimensional (3-D) three-component velocity fields is of great importance in both ground and space experiments for understanding materials processing and fluid physics. The experiments in these fields most likely inhibit the application of conventional planar probes for observing 3-D phenomena. Here, we present the investigation results of stereoscopic tracking velocimetry (STV) for measuring 3-D velocity fields, which include diagnostic technology development, experimental velocity measurement, and comparison with analytical and numerical computation. STV is advantageous in system simplicity for building compact hardware and in software efficiency for continual near-real-time monitoring. It has great freedom in illuminating and observing volumetric fields from arbitrary directions. STV is based on stereoscopic observation of particles-Seeded in a flow by CCD sensors. In the approach, part of the individual particle images that provide data points is likely to be lost or cause errors when their images overlap and crisscross each other especially under a high particle density. In order to maximize the valid recovery of data points, neural networks are implemented for these two important processes. For the step of particle overlap decomposition, the back propagation neural network is utilized because of its ability in pattern recognition with pertinent particle image feature parameters. For the step of particle tracking, the Hopfield neural network is employed to find appropriate particle tracks based on global optimization. Our investigation indicates that the neural networks are very efficient and useful for stereoscopically tracking particles. As an initial assessment of the diagnostic technology performance, laminar water jets with and without pulsation are measured. The jet tip velocity profiles are in good agreement with analytical predictions. Finally, for testing in material processing applications, a simple directional solidification
Campos, Victor; Maia, Ana Karolinna; Martins, Nicolas; Sampaio, Rudini Menezes
2011-01-01
In this paper, we obtain polynomial time algorithms to determine the acyclic chromatic number, the star chromatic number, the Thue chromatic number, the harmonious chromatic number and the clique chromatic number of $P_4$-tidy graphs and $(q,q-4)$-graphs, for every fixed $q$. These classes include cographs, $P_4$-sparse and $P_4$-lite graphs. All these coloring problems are known to be NP-hard for general graphs. These algorithms are fixed parameter tractable on the parameter $q(G)$, which is the minimum $q$ such that $G$ is a $(q,q-4)$-graph. We also prove that every connected $(q,q-4)$-graph with at least $q$ vertices is 2-clique-colorable and that every acyclic coloring of a cograph is also nonrepetitive.
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.
Morvan, B.; Tinel, A.; Sainidou, R.; Rembert, P. [Laboratoire Ondes et Milieux Complexes, UMR CNRS 6294, Université du Havre, 75 rue Bellot, 76058 Le Havre (France); Vasseur, J. O.; Hladky-Hennion, A.-C. [Institut d' Electronique, de Micro-électronique et de Nanotechnologie, UMR CNRS 8520, Cité Scientifique, 59652 Villeneuve d' Ascq Cedex (France); Swinteck, N.; Deymier, P. A. [Department of Materials Science and Engineering, University of Arizona, Tucson, Arizona 85721 (United States)
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.
Characterization of E and Z isomers in macrocyclic lactones and acyclic pheromones by NMR spectra
Mahajan, J.R.; Resck, I.S. [Brasilia Univ., DF (Brazil). Dept. de Quimica; Braz Filho, R. [Universidade Estadual do Norte Fluminense (UENF), Campos, RJ (Brazil). Dept. de Produtos Quimicos Naturais; Carvalho, M.G. de [Universidade Federal Rural do Rio de Janeiro, Seropedica, RJ (Brazil). Dept. de Quimica
1995-12-31
A large proportion of pheromones, isolated from a variety of insects, constitutes a big list of diversely functionalized acyclic compounds, which have been synthesized by several routes. Catalytic or chemical methods were examined for the Z to E isomerization and their efficiency checked by {sup 1} H and {sup 13} C NMR spectra. Nuclear magnetic resonance has been used to identify and characterize molecular structure of the compounds, besides chemical shifts was analysed 11 refs., 4 figs., 5 tabs.
Quadratically constrained quadratic programs on acyclic graphs with application to power flow
Bose, Subhonmesh; Low, Steven H; Chandy, K Mani
2012-01-01
This paper proves that non-convex quadratically constrained quadratic programs have an exact semidefinite relaxation when their underlying graph is acyclic, provided the constraint set satisfies a certain technical condition. When the condition is not satisfied, we propose a heuristic to obtain a feasible point starting from a solution of the relaxed problem. These methods are then demonstrated to provide exact solutions to a richer class of optimal power flow problems than previously solved.
Diels−Alder Reactions of Acyclic 2-Azadienes: A Semiempirical Molecular Orbital Study
Teresa M. V. D. Pinho e Melo; Fausto, Rui; Gonsalves, António M. d'A. Rocha
1998-01-01
Molecular orbital calculations (AM1) have been performed to obtain the frontier orbitals' (HOMO and LUMO) energies and polarization of a series of acyclic 2-azadienes. The results are used to rationalize the reactivity of the compounds studied with both electron-rich and electron-deficient dienophiles as well as the observed regioselectivity of the corresponding Diels−Alder reactions. http://dx.doi.org/10.1021/jo980090e
Ajaev; Davis
2000-02-01
Directional solidification of a dilute binary alloy in a Hele-Shaw cell is modeled by a long-wave nonlinear evolution equation with zero flux and contact-angle conditions at the walls. The basic steady-state solution and its linear stability criteria are found analytically, and the nonlinear system is solved numerically. Concave-down (toward the solid) interfaces under physically realistic conditions are found to be more unstable than the planar front. Weakly nonlinear analysis indicates that subcritical bifurcation is promoted, the domain of modulational instability is expanded and transition to three-dimensional patterns is delayed due to the contact-angle condition. In the strongly nonlinear regime fully three-dimensional steady-state solutions are found whose characteristic amplitude is larger than that for the two-dimensional problem. In the subcritical regime secondary bifurcation to stable solutions is promoted.
Kung, Chih-Chien; Lin, Po-Yuan; Xue, Yuhua; Akolkar, Rohan; Dai, Liming; Yu, Xiong; Liu, Chung-Chiun
2014-06-01
A novel composite material of hierarchically structured platinum-ruthenium (PtRu) nanoparticles grown on large surface area three dimensional graphene foam (3D GF) is reported. 3D GF was incorporated with PtRu bimetallic nanoparticles as an electrochemical nanocatalyst for methanol and ethanol oxidation. PtRu/3D GF nanocatalyst showed a higher tolerance to poisoning by CO and exhibited improved catalytic activity for both methanol oxidation reaction (MOR) and ethanol oxidation reaction (EOR). Cyclic voltammetry (CV) results and long-term cycling stability tests demonstrated that GF provided a promising platform for the development of electrochemical nanocatalysts. Specifically, PtRu/3D GF nanocatalyst showed excellent catalytic activity toward MOR and EOR compared with PtRu/Graphene (Commercial graphene), PtRu/C (Vulcan XC-72R carbon), and PtRu alone. The crystal size of PtRu on 3D GF was reduced to 3.5 nm and its active surface area was enhanced to 186.2 m2 g-1. Consequently, the MOR and EOR rates were nearly doubled on PtRu/3D GF compared to those on PtRu/Graphene.
Hens, Marc; Vaidyanathan, Ganesan; Zhao Xiaoguang [Department of Radiology, Duke University Medical Center, Durham, NC 27710 (United States); Bigner, Darell D. [Department of Pathology, Duke University Medical Center, Durham, NC 27710 (United States); Zalutsky, Michael R., E-mail: zalut001@mc.duke.ed [Department of Radiology, Duke University Medical Center, Durham, NC 27710 (United States)
2010-10-15
Introduction: Monoclonal antibody (mAb) L8A4 binds specifically to the epidermal growth factor receptor variant III (EGFRvIII) that is present on gliomas but not on normal tissues, and is internalized rapidly after receptor binding. Because of the short range of its {beta}-emissions, labeling this mAb with {sup 177}Lu would be an attractive approach for the treatment of residual tumor margins remaining after surgical debulking of brain tumors. Materials and Methods: L8A4 mAb was labeled with {sup 177}Lu using the acyclic ligands [(R)-2-amino-3-(4-isothiocyanatophenyl)propyl]-trans-(S,S)-cyclohexane-1, 2-diamine-pentaacetic acid (CHX-A''-DTPA) and 2-(4-isothiocyanatobenzyl)-6-methyldiethylene-triaminepentaacetic acid (1B4M-DTPA), and the macrocyclic ligands S-2-(4-isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane-tetraacetic acid (C-DOTA) and {alpha}-(5-isothiocyanato-2-methoxyphenyl)-1,4,7,10-tetraazacyclododecane-1,4,7, 10-tetraacetic acid (MeO-DOTA). Paired-label tissue distribution experiments were performed in athymic mice bearing subcutaneous EGFRvIII-expressing U87.{Delta}EGFR glioma xenografts over a period of 1 to 8 days to directly compare {sup 177}Lu-labeled L8A4 to L8A4 labeled with {sup 125}I using N-succinimidyl 4-guanidinomethyl-3-[{sup 125}I]iodobenzoate ([{sup 125}I]SGMIB). Results: Except with C-DOTA, tumor uptake for the {sup 177}Lu-labeled mAb was significantly higher than the co-administered radioiodinated preparation; however, this was also the case for spleen, liver, bone and kidneys. Tumor/normal tissue ratios for {sup 177}Lu-1B4M-DTPA-L8A4 and, to an even greater extent, {sup 177}Lu-MeO-DOTA-L8A4 were higher than those for [{sup 125}I]SGMIB-L8A4 in most other tissues. Conclusions: Tumor and normal tissue distribution patterns for this anti-EGFRvIII mAb were dependent on the nature of the bifunctional chelate used for {sup 177}Lu labeling. Optimal results were obtained with 1B4M-DTPA and MeO-DOTA, suggesting no clear advantage
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
Pineda, Inti; Dagdug, Leonardo [Departamento de Física, Universidad Autónoma Metropolitana-Iztapalapa, Apartado Postal 55-534, 09340 México Distrito Federal (Mexico)
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.
M H Jan; G Singh; M Sarkar; G K Das; F A Khan; J Singh; S T Bashir; S Khan; J K Prasad; S Mehrotra; M C Pathak
2014-01-01
Objective:To investigate changes in follicular fluid concentrations of reactive oxygen species (ROS) and total antioxidant capacity(TAC) and degree of oxidative damage to follicular cells, using protein carbonyl(PC) as marker of oxidative stress, were investigated during reproductive acyclicity in buffalo.Methods:Follicular fluid was aspirated from follicles grouped into three classes depending upon their diameter [small(5.0-7.0 mm), medium(7.1-10.0 mm), and large (>10.0 mm)].Progesterone and estradiol were estimated to determine functional status(P:E ratio) of the follicles.Results:Acyclic buffaloes had greater concentrations ofROS(P<0.001) andPC (P=0.0412) and lower concentrations ofTAC(P=0.0280) than cyclic buffaloes.An interesting novel finding was the complete absence of lowP:E functionally active follicles in acyclic buffaloes. Results indicated a pronounced follicular fluid oxidant-antioxidant imbalance and oxidative damage to follicular cells during acyclicity in buffalo.Conclusion:In conclusion, this study provided evidence about role of oxidative stress in pathogenesis of reproductive acyclicity.
Bacterial twitching motility is coordinated by a two-dimensional tug-of-war with directional memory
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.
2015-12-04
technique combining super-continuum generation with multi-dimensional coherent optical spectroscopy, which can realize simultaneous high spectral and...onto a single-element detector. Each mask yields one intensity value on the detector, and by measuring the intensities for a sequence of different...in the 2DFT spectrum. 9 Figure 8. Comparison of 2DFT spectra. Absolute- value 2DFT spectra of (a) IR-144 cyanine dye ( ) and (b) LH2
Two-dimensional map of direction selectivity in cortical visual area MT of Cebus monkey
ANTONIA CINIRA M. DIOGO; Soares, Juliana G. M.; Albright, Thomas D.; RICARDO GATTASS
2002-01-01
We studied the spatial organization of direction of motion in visual area MT of the Cebus apella monkey. We used arrays of 6 (700 µm apart) parallel electrodes in penetrations tangential to the cortical layers to record multi-unit responses to moving bars, at 200 µm steps. We determined the direction selectivity at each recording site. The data from single penetrations showed cyclic and gradual changes in the direction selectivity of clusters of cells, intermixed with abrupt 180º discontinuit...
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.
CHEN Huawei; ZHAO Junwei
2004-01-01
A method of two-dimensional direction of arrival (DOA) estimation for low altitude target, which is based on intensity measurement using a three-dimensional differential pressure acoustic vector-sensor, is presented. With the perfect characteristics of acoustic vector sensor in the low frequency band, accurate DOA estimation is achieved under small array size. The validity of the proposed method was assessed by experiments on the noise signals radiated by a helicopter. The influence of acoustic sensor size, integral time and signal to noise ratio to the accuracy of DOA estimation were investigated, respectively. The performance comparisons demonstrated that it outperformed the traditional time-delay measurement based method for a small acoustic array.
Fangqing Wen
2013-01-01
Full Text Available A low complexity monostatic cross multiple-in multiple-out (MIMO radar scheme is proposed in this paper. The minimum-redundancy linear array (MRLA is introduced in the cross radar to improve the efficiency of the array elements. The two-dimensional direction-of-arrival (DOA estimation problem links to the trilinear model, which automatically pairs the estimated two-dimensional angles, requiring neither eigenvalue decomposition of received signal covariance matrix nor spectral peak searching. The proposed scheme performs better than the uniform linear arrays (ULA configuration under the same conditions, and the proposed algorithm has less computational complexity than that of multiple signal classification (MUSIC algorithm. Simulation results show the effectiveness of our scheme.
A Facile Synthesis of Ethyl 2,4-Dimethoxy-6-perfluoroalkylbenzoates via Acyclic Precursors
CAO,Wei-Guo(曹卫国); SHI,Zhi-Jian(施志坚); FAN,Chun(范纯); SUN,Ru-Shu(孙汝淑)
2004-01-01
The acyclic precursors, methyl 3-perfluoroalkyl-4-carbethoxy-5-methoxy-6-(triphenylphospboranylidene)hexa2,4-dienoates (4) were obtained via the addition reaction of ethyl 3-methoxy-4-(triphenylphosphoranylidene)but-2-enoate (2) with equally molar methyl 2-perfluoroalkynoates (3). Ethyl 2,4-dimethoxy-6-perfluoroalkylbenzoates (5)were synthesized in high yield via an intramolecular elimination of Ph3PO of 4 by heating in anhydrous benzene in a sealed tube. The structure of these compounds was confirmed by IR, 1H, 13C, 2D C-H cosy NMR and mass spectra and elemental analyses. The possible reaction mechanisms were also proposed.
A Practical Approach for Scalable Conjunctive Query Answering on Acyclic {EL}^+ Knowledge Base
Mei, Jing; Liu, Shengping; Xie, Guotong; Kalyanpur, Aditya; Fokoue, Achille; Ni, Yuan; Li, Hanyu; Pan, Yue
Conjunctive query answering for {EL}^{++} ontologies has recently drawn much attention, as the Description Logic {EL}^{++} captures the expressivity of many large ontologies in the biomedical domain and is the foundation for the OWL 2 EL profile. In this paper, we propose a practical approach for conjunctive query answering in a fragment of {EL}^{++}, namely acyclic {EL}^+, that supports role inclusions. This approach can be implemented with low cost by leveraging any existing relational database management system to do the ABox data completion and query answering. We conducted a preliminary experiment to evaluate our approach using a large clinical data set and show our approach is practical.
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
Uranyl-selective electrodes based on acyclic oligoethers with terminal phosphonate groups
Khramov, A.N.; Garifzyanov, A.R.; Toropova, V.F. [Kazan State Univ., Tatarstan (Russian Federation)
1994-10-01
In recent years, a number of attempts have been made to develop ion-selective electrodes sensitive to uranyl ions. The most appropriate ionophores for uranyl-selective electrodes have been found among both acyclic oligoethers (podands) with terminal amide groups and organophosphorous compounds (conventional extracting agents for uranyl salts). However, in the first case, the proposed uranyl-selective electrodes exhibit a linear electrode response in a rather narrow range; in the second case, the electrodes are insufficiently selective. The goal of this work was to examine the possibility of using podands with terminal phosphonate groups as ionophores in uranyl-selective electrodes.
Direct fiber strengthening in three dimensional random-oriented short-fiber composites
Zhu, Y.T.; Blumenthal, W.R.
1995-05-01
A theory for direct fiber strengthening in random-oriented short-fiber composites is developed. It adopts a maximum load composite failure criterion and takes into account the fiber orientation effect on the probability of a fiber being intercepted by a specimen cross-section. The strain and load of short fibers with different inclination angles with respect to the loading direction were first calculated, and their contribution in carrying load toward the composite load direction was integrated to give the total load. The fibers with smaller inclination angles bear greater stress and break first. This load is then transferred to fibers with larger inclination angles. Direct fiber strengthening component of the composite strength was calculated from the maximum total load these short fibers can carry. The present theory predicts a much greater direct short-fiber strengthening than does previous theories, and provides useful information for composite design and strength assessment.
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.
Average site perimeter of directed animals on the two-dimensional lattices
Bacher, Axel
2009-01-01
We introduce new combinatorial (bijective) methods that enable us to compute the average value of three parameters of directed animals of a given area, including the site perimeter. Our results cover directed animals of any one-line source on the square lattice and its bounded variants, and we give counterparts for most of them in the triangular lattices. We thus prove conjectures by Conway and Le Borgne. The techniques used are based on Viennot's correspondence between directed animals and heaps of pieces (or elements of a partially commutative monoid).
Emission of direct-gap band in germanium with Ge-GeSn layers on one-dimensional structure
Huang, Zhong-Mei; Huang, Wei-Qi; Liu, Shi-Rong; Dong, Tai-Ge; Wang, Gang; Wu, Xue-Ke; Qin, Cao-Jian
2016-04-01
In our experiment, it was observed that the emission of direct-gap band in germanium with Ge-GeSn layers on one-dimensional (1D) structure. The results of experiment and calculation demonstrate that the uniaxial tensile strain in the (111) and (110) direction can efficiently transform Ge to a direct bandgap material with the bandgap energy useful for technological application. It is interested that under the tensile strain from Ge-GeSn layers on 1D structure in which the uniaxial strain could be obtained by curved layer (CL) effect, the two bandgaps EΓg and ELg in the (111) direction become nearly equal at 0.83 eV related to the emission of direct-gap band near 1500 nm in the experiments. It is discovered that the red-shift of the peaks from 1500 nm to 1600 nm occurs with change of the uniaxial tensile strain, which proves that the peaks come from the emission of direct-gap band.
Wu, Rengmao; Hua, Hong
2016-01-25
Illumination design used to redistribute the spatial energy distribution of light source is a key technique in lighting applications. However, there is still no effective illumination design method for extended sources, especially for extended non-Lambertian sources. What we present here is to our knowledge the first direct method for extended non-Lambertian sources in three-dimensional (3D) rotational geometry. In this method, both meridional rays and skew rays of the extended source are taken into account to tailor the lens profile in the meridional plane. A set of edge rays and interior rays emitted from the extended source which will take a given direction after the refraction of the aspherical lens are found by the Snell's law, and the output intensity at this direction is then calculated to be the integral of the luminance function of the outgoing rays at this direction. This direct method is effective for both extended non-Lambertian sources and extended Lambertian sources in 3D rotational symmetry, and can directly find a solution to the prescribed design problem without cumbersome iterative illuminance compensation. Two examples are presented to demonstrate the effectiveness of the proposed method in terms of performance and capacity for tackling complex designs.
Tartan, CC; Salter, PS; Wilkinson, TD; Booth, M; Morris, S.; Elston, SJ
2017-01-01
Direct laser writing is a powerful nonlinear fabrication technique that provides high intensities in the focal plane of a sample to engineer multidimensional structures with submicron feature sizes. Dielectrically and optically anisotropic soft matter is of particular interest when considering a host medium in which exotic topological characteristics may be generated. In this manuscript, we adopt a novel approach for direct laser writing of polymeric structures, whereby the photo-sensitive re...
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
K.-P. Heue
2008-11-01
Full Text Available In many investigations of tropospheric chemistry information about the two dimensional distribution of trace gases on a small scale (e.g. tens to hundreds of metres is highly desirable. An airborne instrument based on imaging Differential Optical Absorption Spectroscopy has been built to map the two dimensional distribution of a series of relevant trace gases including NO_{2}, HCHO, C_{2}H_{2}O_{2}, H_{2}O, O_{4}, SO_{2}, and BrO on a scale of 100 m.
Here we report on the first tests of the novel aircraft instrument over the industrialised South African Highveld, where large variations in NO_{2} column densities in the immediate vicinity of several sources e.g. power plants or steel works, were measured. The observed patterns in the trace gas distribution are interpreted with respect to flux estimates, and it is seen that the fine resolution of the measurements allows separate sources in close proximity to one another to be distinguished.
Liu, Yang; Michielssen, Eric
2016-01-01
A butterfly-based fast direct integral equation solver for analyzing high-frequency scattering from two-dimensional objects is presented. The solver leverages a randomized butterfly scheme to compress blocks corresponding to near- and far-field interactions in the discretized forward and inverse electric field integral operators. The observed memory requirements and computational cost of the proposed solver scale as O(Nlog^2N) and O(N^1.5 logN), respectively. The solver is applied to the analysis of scattering from electrically large objects spanning over ten thousand of wavelengths and modeled in terms of five million unknowns.
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.
Zodinpuia Pachuau; R H Duncan Lyngdoh
2004-03-01
The semi-empirical PM3 SCF-MO method is used to investigate the Wagner-Meerwein migration of various groups during the pinacol-pinacolone rearrangement of some acyclic systems. Pinacol first protonates and dehydrates to form a carbocation that undergoes a 1,2-migration to form a protonated ketone, which then deprotonates to yield the pinacolone product. We study the Wagner-Meerwein migration of hydride, methyl, ethyl, isopropyl, t-butyl, phenyl and heterocylic 2-, 3- and 4-pyridyl groups in various acyclic 1,2-diol (pinacol) systems as they rearrange to pinacolones. This 1,2-migration involves a three-centred moiety in the cationic transition state. The migratory aptitude predicted here follows the order: hydride -butyl > isopropyl > ethyl > methyl > phenyl, which accords well with available experimental data and/or chemical intuition, reflecting also on the ability of the group involved to carry positive charge in the transition state. The structure of the migrating group (whether aliphatic or aromatic) within the transition state also supports the stabilising role of delocalisation of positive charge for reaction feasibility. Geometrical and thermodynamic considerations coincide in assigning the following order to relative ``earliness” of the transition state along the reaction pathway: -butyl > isopropyl > phenyl > methyl > 2-pyridyl > 4-pyridyl.
Small, Meagan C.; Aytenfisu, Asaminew H.; Lin, Fang-Yu; He, Xibing; MacKerell, Alexander D.
2017-04-01
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 ( d-allose and 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 d-allose and d-psicose, thereby extending the available biomolecules in the Drude polarizable FF.
Small, Meagan C; Aytenfisu, Asaminew H; Lin, Fang-Yu; He, Xibing; MacKerell, Alexander D
2017-02-11
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 (D-allose and 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 D-allose and D-psicose, thereby extending the available biomolecules in the Drude polarizable FF.
Mitic, S; Khrapak, S A; Morfill, G E; 10.1063/1.4798418
2013-01-01
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 (ICP) 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 $10^5$ 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.
Parallelised direct numerical simulation of three-dimensional wavy falling films
Juric, Damir; Chergui, Jalel; Kahouadji, Lyes; Matar, Omar; Shin, Seungwon
2015-11-01
We present a computational study of falling liquid films in a three-dimensional inclined rectangular domain using the new massively parallel code, BLUE. Calculations are carried out in order to obtain several wave patterns such as occasional solitary waves, which travel downstream at a constant velocity, or less coherent structures. BLUE uses parallelization algorithms based on MPI and algebraic domain decomposition. The velocity field is solved by a parallel GMRES method for the viscous terms and the pressure by a parallel multigrid method. The method for the treatment of the fluid interfaces and capillary forces uses a parallelized Front Tracking/Level Set technique which defines the interface both by a discontinuous density field as well as by a local triangular Lagrangian mesh. This structure allows the interface to undergo large deformations including the rupture and/or coalescence of fluid interfaces. EPSRC Programme Grant, MEMPHIS, EP/K0039761/1.
A Solver for Massively Parallel Direct Numerical Simulation of Three-Dimensional Multiphase Flows
Shin, S; Juric, D
2014-01-01
We present a new solver for massively parallel simulations of fully three-dimensional multiphase flows. The solver runs on a variety of computer architectures from laptops to supercomputers and on 65536 threads or more (limited only by the availability to us of more threads). The code is wholly written by the authors in Fortran 2003 and uses a domain decomposition strategy for parallelization with MPI. The fluid interface solver is based on a parallel implementation of the LCRM hybrid Front Tracking/Level Set method designed to handle highly deforming interfaces with complex topology changes. We discuss the implementation of this interface method and its particular suitability to distributed processing where all operations are carried out locally on distributed subdomains. We have developed parallel GMRES and Multigrid iterative solvers suited to the linear systems arising from the implicit solution of the fluid velocities and pressure in the presence of strong density and viscosity discontinuities across flu...
Fang, Wen-Zhen; Zhang, Hu; Chen, Li; Tao, Wen-Quan
2015-01-01
In this paper, a multiple-relaxation-time lattice Boltzmann model with an off-diagonal collision matrix was adopted to predict the effective thermal conductivities of the anisotropic heterogeneous materials whose components are also anisotropic. The half lattice division scheme was adopted to deal with the internal boundaries to guarantee the heat flux continuity at the interfaces. Accuracy of the model was confirmed by comparisons with benchmark results and existing simulation data. The present method was then adopted to numerically predict the transverse and longitudinal effective thermal conductivities of three-dimensional (3D) four-directional braided composites. Some corresponding experiments based on the Hot Disk method were conducted to measure their transverse and longitudinal effective thermal conductivities. The predicted data fit the experiment data well. Influences of fiber volume fractions and interior braiding angles on the effective thermal conductivities of 3D four-directional braided composit...
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
Directed self-assembly of spheres into a two-dimensional colloidal crystal by viscoelastic stresses.
Pasquino, Rossana; Snijkers, Frank; Grizzuti, Nino; Vermant, Jan
2010-03-02
Ordering induced by shear flow can be used to direct the assembly of particles in suspensions. Flow-induced ordering is determined by the balance between a range of forces, such as direct interparticle, Brownian, and hydrodynamic forces. The latter are modified when dealing with viscoelastic rather than Newtonian matrices. In particular, 1D stringlike structures of spherical particles have been observed to form along the flow direction in shear thinning viscoelastic fluids, a phenomenon not observed in Newtonian fluids at similar particle volume fractions. Here we report on the formation of freestanding crystalline patches in planes parallel to the shearing surfaces. The novel microstructure is formed when particles are suspended in viscoelastic, wormlike micellar solutions and only when the applied shear rate exceeds a critical value. In spite of the very low volume fraction (less than 0.01), particles arrange themselves in 2D crystalline patches along the flow direction. This is a bulk phenomenon because 2D crystals form throughout the whole gap between plates, with the gap thickness being much larger than the particle size. Shear flow may hence be an easy method to drive particles into crystalline order in suspensions with viscoelastic properties. The crystalline structure reported here could be used to design new materials with special mechanical, optical, thermal, or electric properties.
Detailed Multi-dimensional Modeling of Direct Internal Reforming Solid Oxide Fuel Cells.
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.
Existence of a directional Stokes drift in asymmetrical three-dimensional travelling gravity waves
Iooss, Gérard; Plotnikov, Pavel
2009-09-01
We consider periodic travelling gravity waves at the surface of an infinitely deep perfect fluid. The pattern is non-symmetric with respect to the propagation direction of the waves and we consider a general non-resonant situation. Defining a couple of amplitudes ɛ,ɛ along the basis of wave vectors which satisfy the dispersion relation, following Iooss and Plotnikov (2009), travelling waves exist with an asymptotic expansion in powers of ɛ,ɛ, for nearly all pair of angles made by the basic wave vectors with the critical propagation direction, and for values of the couple (ɛ12,ɛ22) in a subset of the plane, with asymptotic full measure at the origin. We prove the remarkable property that on the free surface, observed in the moving frame, the propagation direction of the waves differs from the asymptotic direction taken by fluid particles, by a small angle which is computed. To cite this article: G. Iooss, P. Plotnikov, C. R. Mecanique 337 (2009).
Feldman, Benjamin E.; Gyenis, Andras; Randeria, Mallika T.; Peterson, Gabriel A.; Aynajian, Pegor; Bauer, Eric D.; Yazdani, Ali
Unconventional superconductors often exhibit anisotropic physical properties that arise from the directional dependence of their order parameters. A prime example is CeCoIn5, a heavy fermion d-wave superconductor with a rich low-temperature phase diagram consisting of competing and coexisting magnetic and superconducting orders. Here we present dilution refrigerator scanning tunneling microscopy of CeCoIn5 cleaved perpendicular to its basal plane. We study superconductivity on the (100) surface, whose normal vector points along the antinode of the superconducting energy gap. The gap magnitude is similar to that observed in the basal plane, with a key difference: it does not exhibit any suppression near step edges. Application of a magnetic field along the [100] direction leads to the formation of anisotropic vortices, and the vortex lattice undergoes a transition at high field before the superconducting state gives way to a pseudogap phase. Our measurements illustrate the directional dependence of the superconducting properties in CeCoIn5, and more generally, demonstrate the utility of imaging d-wave superconductors along their nodal and antinodal directions.
无
2008-01-01
Based on unit cell model,the 3D 4-directional braided composites can be simplified as unidirectional composites with different local axial coordinate system and the compliance matrix of unidirectional composites can be defined utilizing the bridge model.The total stiffness matrix of braided composites can be obtained by the volume average stiffness of unidirectional composites with different local axial coordinate system and the engineering elastic constants of braided composites were computed further.Based on the iso-strain assumption and the bridge model,the stress distribution of fiber bundle and matrix of different unidirectional composites can be determined and the tensile strength of 3D 4-directional braided composites was predicted by means of the Hoffman's failure criterion for the fiber bundle and Mises' failure criterion for the matrix.
Two-dimensional map of direction selectivity in cortical visual area MT of Cebus monkey
ANTONIA CINIRA M. DIOGO
2002-09-01
Full Text Available We studied the spatial organization of direction of motion in visual area MT of the Cebus apella monkey. We used arrays of 6 (700 µm apart parallel electrodes in penetrations tangential to the cortical layers to record multi-unit responses to moving bars, at 200 µm steps. We determined the direction selectivity at each recording site. The data from single penetrations showed cyclic and gradual changes in the direction selectivity of clusters of cells, intermixed with abrupt 180º discontinuities along the electrode track. In order to obtain maps of direction of motion selectivity, we examined the spatial distribution of direction of motion in MT and we applied a method to determine the location of the centers of radial arrangements of direction selectivity. This tangential organization is characterized by slow continuous changes in direction of motion, interrupted by discontinuities. The changes in direction selectivity are organized radially in a pinwheel fashion and in slabs of linear variation. The pinwheel arrangements have 800-1400 µm in diameter. The size of the radial arrangement is comparable to the point image size in area MT at each eccentricity.Estudamos a organização espacial da seletividade ao sentido do movimento na área visual MT do macaco Cebus apella. Utilizamos um arranjo de 6 eletródios paralelos (separados por 700µm em penetrações tangenciais às camadas corticais para registrar, a cada 200µm, a atividade multi-unitária em resposta a barras em movimento. Determinamos a seletividade ao sentido de movimento em cada sítio de registro. Os dados captados por um único eletródio mostraram uma mudança cíclica e gradual na seletividade ao sentido de movimento dos grupos de neurônios registrados ao longo da trajetória do eletródio, interrompida por mudanças abruptas de 180º ocasionando descontinuidades na seletividade ao sentido do movimento. Para obter mapas de seletividade ao sentido do movimento, examinamos a
A semi-direct solver for compressible three-dimensional rotational flow
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.
A semi-direct solver for compressible 3-dimensional rotational flow
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.
Daniel Bartz; Kerr Hatrick; Hesse, Christian W.; Klaus-Robert M\\"uller; Steven Lemm
2011-01-01
Robust and reliable covariance estimates play a decisive role in financial and many other applications. An important class of estimators is based on Factor models. Here, we show by extensive Monte Carlo simulations that covariance matrices derived from the statistical Factor Analysis model exhibit a systematic error, which is similar to the well-known systematic error of the spectrum of the sample covariance matrix. Moreover, we introduce the Directional Variance Adjustment (DVA) algorithm, w...
Directed 2-dimensional organisation of collagen: Role of cross-linking and denaturing agents
Nishtar nishad Fathima; Aruna Dhathathreyan; Thirumalachari Ramasami
2010-11-01
The effect of additives like curcumin and surfactants on the self-assembly of collagen from a simple 2-dimensional system of Langmuir films of the protein at air/solution interface has been attempted in this study using quartz crystal microbalance (QCM) and dynamic surface tensiometer. Though pure curcumin is not surface active, a synergistic effect of collagen with curcumin seems to lead to enhanced surface activity in the protein. In general, the presence of additives, increases the surface activity of collagen even for the lowest concentration and the largest change in surface activity is seen for collagen with sodium dodecyl sulfate (SDS). The results suggest interplay between the unexposed hydrophobic groups, and the opening out and solvation of the more charged or polar groups at the surface leading to aggregation followed by self-assembly. Modulation of aggregation at interface in collagen due to these additives may be an approach that could be explored for possible applications in bio-materials and for delivery of protein-drug complexes.
Guo, Fen; Cao, Dianxue; Du, Mengmeng; Ye, Ke; Wang, Guiling; Zhang, Wenping; Gao, Yinyi; Cheng, Kui
2016-03-01
A novel three-dimensional (3D) porous nickel-cobalt (Ni-Co) film on nickel foam is successfully prepared and further used as an efficient anode for direct urea-hydrogen peroxide fuel cell (DUHPFC). By varying the cobalt/nickel mole ratios into 0%, 20%, 50%, 80% and 100%, the optimized Ni-Co/Ni foam anode with a ratio of 80% is obtained in terms of the best cell performance among five anodes. Effects of the KOH and urea concentrations, the flow rate and operation temperature on the fuel cell performance are investigated. Results show DUHPFC with the 3D Ni-Co/Ni foam anode exhibits a higher performance than those reported direct urea fuel cells. The cell gives an open circuit voltage of 0.83 V and a peak power density as high as 17.4 and 31.5 mW cm-2 at 20 °C and 70 °C, respectively, when operating on 7.0 mol L-1 KOH and 0.5 mol L-1 urea as the fuel at a flow rate of 15 mL min-1. Besides, when the human urine is directly fed as the fuel, direct urine-hydrogen peroxide fuel cell reaches a maximum power density of 7.5 mW cm-2 with an open circuit voltage of 0.80 V at 20 °C, showing a good application prospect in wastewater treatment.
Ouyang, Liliang; Yao, Rui; Mao, Shuangshuang; Chen, Xi; Na, Jie; Sun, Wei
2015-11-04
With the ability to manipulate cells temporarily and spatially into three-dimensional (3D) tissue-like construct, 3D bioprinting technology was used in many studies to facilitate the recreation of complex cell niche and/or to better understand the regulation of stem cell proliferation and differentiation by cellular microenvironment factors. Embryonic stem cells (ESCs) have the capacity to differentiate into any specialized cell type of the animal body, generally via the formation of embryoid body (EB), which mimics the early stages of embryogenesis. In this study, extrusion-based 3D bioprinting technology was utilized for biofabricating ESCs into 3D cell-laden construct. The influence of 3D printing parameters on ESC viability, proliferation, maintenance of pluripotency and the rule of EB formation was systematically studied in this work. Results demonstrated that ESCs were successfully printed with hydrogel into 3D macroporous construct. Upon process optimization, about 90% ESCs remained alive after the process of bioprinting and cell-laden construct formation. ESCs continued proliferating into spheroid EBs in the hydrogel construct, while retaining the protein expression and gene expression of pluripotent markers, like octamer binding transcription factor 4, stage specific embryonic antigen 1 and Nanog. In this novel technology, EBs were formed through cell proliferation instead of aggregation, and the quantity of EBs was tuned by the initial cell density in the 3D bioprinting process. This study introduces the 3D bioprinting of ESCs into a 3D cell-laden hydrogel construct for the first time and showed the production of uniform, pluripotent, high-throughput and size-controllable EBs, which indicated strong potential in ESC large scale expansion, stem cell regulation and fabrication of tissue-like structure and drug screening studies.
Three-dimensional parallel distributed inversion of CSEM data using a direct forward solver
Grayver, A. V.; Streich, R.; Ritter, O.
2013-06-01
For 3-D inversion of controlled-source electromagnetic (CSEM) data, increasing availability of high-performance computers enables us to apply inversion techniques that are theoretically favourable, yet have previously been considered to be computationally too demanding. We present a newly developed parallel distributed 3-D inversion algorithm for interpreting CSEM data in the frequency domain. Our scheme is based on a direct forward solver and uses Gauss-Newton minimization with explicit formation of the Jacobian. This combination is advantageous, because Gauss-Newton minimization converges rapidly, limiting the number of expensive forward modelling cycles. Explicit calculation of the Jacobian allows us to (i) precondition the Gauss-Newton system, which further accelerates convergence, (ii) determine suitable regularization parameters by comparing matrix norms of data- and model-dependent terms in the objective function and (iii) thoroughly analyse data sensitivities and interdependencies. We show that explicit Jacobian formation in combination with direct solvers is likely to require less memory than combinations of direct solvers and implicit Jacobian usage for many moderate-scale CSEM surveys. We demonstrate the excellent convergence properties of the new inversion scheme for several synthetic models. We compare model updates determined by solving either a system of normal equations or, alternatively, a linear least-squares system. We assess the behaviour of three different stabilizing functionals in the framework of our inversion scheme, and demonstrate that implicit regularization resulting from incomplete iterative solution of the model update equations helps stabilize the inversion. We show inversions of models with up to two million unknowns in the forward solution, which clearly demonstrates applicability of our approach to real-world problems.
Investigation on the Thermal Conductivity of 3-Dimensional and 4-Directional Braided Composites
Liu Zhenguo; Zhang Haiguo; Lu Zixing; Li Diansen
2007-01-01
It is vital to choose a factual and reasonable micro-structural model of braided composites for improving the calculating precision of thermal property of 3-D braided composites by finite element method (FEM). On the basis of new microstructure model of braided composites proposed recently, the model of FEM calculation for thermal conductivity of 3-dimennsional and 4-directional braided composites is set up in this paper. The curves of coefficient of effective thermal conductivity versus fiber volume ratio and interior braiding angle are obtained. Furthermore, comparing the results of FEM with the available experimental data, the reasonability and veracity of calculation are confirmed at the same time.
Three-dimensional photonic crystals created by single-step multi-directional plasma etching.
Suzuki, Katsuyoshi; Kitano, Keisuke; Ishizaki, Kenji; Noda, Susumu
2014-07-14
We fabricate 3D photonic nanostructures by simultaneous multi-directional plasma etching. This simple and flexible method is enabled by controlling the ion-sheath in reactive-ion-etching equipment. We realize 3D photonic crystals on single-crystalline silicon wafers and show high reflectance (>95%) and low transmittance (<-15dB) at optical communication wavelengths, suggesting the formation of a complete photonic bandgap. Moreover, our method simply demonstrates Si-based 3D photonic crystals that show the photonic bandgap effect in a shorter wavelength range around 0.6 μm, where further fine structures are required.
Starkov, Pavel; Moore, Jared T; Duquette, Douglas C; Stoltz, Brian M; Marek, Ilan
2017-07-19
We report a divergent and modular protocol for the preparation of acyclic molecular frameworks containing newly created quaternary carbon stereocenters. Central to this approach is a sequence composed of a (1) regioselective and -retentive preparation of allyloxycarbonyl-trapped fully substituted stereodefined amide enolates and of a (2) enantioselective palladium-catalyzed decarboxylative allylic alkylation reaction using a novel bisphosphine ligand.
Direct E-jet printing of three-dimensional fibrous scaffold for tendon tissue engineering.
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 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.
Yilmaz, Cihan; Cetin, Arif E; Goutzamanidis, Georgia; Huang, Jun; Somu, Sivasubramanian; Altug, Hatice; Wei, Dongguang; Busnaina, Ahmed
2014-05-27
Directed assembly of nano building blocks offers a versatile route to the creation of complex nanostructures with unique properties. Bottom-up directed assembly of nanoparticles have been considered as one of the best approaches to fabricate such functional and novel nanostructures. However, there is a dearth of studies on making crystalline, solid, and homogeneous nanostructures. This requires a fundamental understanding of the forces driving the assembly of nanoparticles and precise control of these forces to enable the formation of desired nanostructures. Here, we demonstrate that colloidal nanoparticles can be assembled and simultaneously fused into 3-D solid nanostructures in a single step using externally applied electric field. By understanding the influence of various assembly parameters, we showed the fabrication of 3-D metallic materials with complex geometries such as nanopillars, nanoboxes, and nanorings with feature sizes as small as 25 nm in less than a minute. The fabricated gold nanopillars have a polycrystalline nature, have an electrical resistivity that is lower than or equivalent to electroplated gold, and support strong plasmonic resonances. We also demonstrate that the fabrication process is versatile, as fast as electroplating, and scalable to the millimeter scale. These results indicate that the presented approach will facilitate fabrication of novel 3-D nanomaterials (homogeneous or hybrid) in an aqueous solution at room temperature and pressure, while addressing many of the manufacturing challenges in semiconductor nanoelectronics and nanophotonics.
Note: Fast compact laser shutter using a direct current motor and three-dimensional printing
Zhang, Grace H., E-mail: ghzhang0@mit.edu; Braverman, Boris; Kawasaki, Akio; Vuletić, Vladan [Department of Physics, MIT-Harvard Center for Ultracold Atoms and Research Laboratory of Electronics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)
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.
Direct manufacturing of ultrathin graphite on three-dimensional nanoscale features
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
MAO Xiao-Yu; YAO Di-Bi; ZHAO Ling-Yun; HUANG Yi-Dong; ZHANG Wei; PENG Jiang-De
2008-01-01
We propose an integrative biochemical sensor utilizing the dip in the transmission spectrum of a normal singleline defect photonic crystal(PC)waveguide,which has a contra-directional coupling with another PC waveguide.When the air holes in the PC slab are filled with a liquid analyte with different refractive indices,the dip has a wavelength shift.By detecting the output power variation at a certain fixed wavelength,a sensitivity of 1.2×10-4is feasible.This structure is easy for integration due to its plane waveguide structure and omissible pump source.In addition,high signal to noise ratio can be expected because signal transmits via a normal single-line defect PC waveguide instead of the PC hole area or analyte.
Hybrid optics for three-dimensional microstructuring of polymers via direct laser writing
Burmeister, Frank; Zeitner, Uwe D.; Nolte, Stefan; Tünnermann, Andreas
2012-03-01
We present an immersion hybrid optics specially designed for focusing ultrashort laser pulses into a polymer for direct laser writing via two-photon polymerization. The hybrid optics enables well corrected focusing over a working distance range of 577 μm with a numerical aperture (NA) of 1.33 thereby causing low internal dispersion. We combine the concepts of an aplanatic solid immersion lens (ASIL) for achieving a high NA with the correction of aberrations with a diffractive optical element (DOE). To demonstrate the improvements for volume structuring of the polymer, we compare achievable feature sizes of structures written with our optics and a commercial available oil immersion objective (100x, NA=1.4).
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.
Hazelton, Keith Z. [Yeshiva Univ., New York, NY (United States); Ho, Meng-Chaio [Yeshiva Univ., New York, NY (United States); Cassera, Maria B. [Yeshiva Univ., New York, NY (United States); Clinch, Keith [Industrial Research Ltd., Lower Hutt (New Zealand); Crump, Douglas R. [Industrial Research Ltd., Lower Hutt (New Zealand); Rosario Jr., Irving [Yeshiva Univ., New York, NY (United States); Merino, Emilio F. [Yeshiva Univ., New York, NY (United States); Almo, Steve C. [Yeshiva Univ., New York, NY (United States); Tyler, Peter C. [Industrial Research Ltd., Lower Hutt (New Zealand); Schramm, Vern L. [Yeshiva Univ., New York, NY (United States)
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.
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.
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.
Structure-Activity Relationships of Acyclic Selenopurine Nucleosides as Antiviral Agents
Pramod K. Sahu
2017-07-01
Full Text Available A series of acyclic selenopurine nucleosides 3a–f and 4a–g were synthesized based on the bioisosteric rationale between oxygen and selenium, and then evaluated for antiviral activity. Among the compounds tested, seleno-acyclovir (4a exhibited the most potent anti-herpes simplex virus (HSV-1 (EC50 = 1.47 µM and HSV-2 (EC50 = 6.34 µM activities without cytotoxicity up to 100 µM, while 2,6-diaminopurine derivatives 4e–g exhibited significant anti-human cytomegalovirus (HCMV activity, which is slightly more potent than the guanine derivative 4d, indicating that they might act as prodrugs of seleno-ganciclovir (4d.
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.
Makankin, A M; Peshekhonov, V D; Ritt, S; Vasilyev, S E
2013-01-01
This article presents the results of a study of the longitudinal spatial resolution of 2 m long straw tubes by means of the direct timing method (DTM). The feasibility of achieving a coordinate resolution (r.m.s.) better than 2 cm over full length of the straw is demonstrated. The spatial resolution insignificantly changes when measured by detecting gammas from a Fe-55 gamma ray source or minimum ionizing particles from a Ru-106 source. The use of the same type of FEE for data taking both for measuring the drift time of ionization electrons and propagation of a signal along the anode wire allows one to construct a two-dimensional detector for precision coordinate measurements.
Takaki, Tomohiro; Ohno, Munekazu; Shibuta, Yasushi; Sakane, Shinji; Shimokawabe, Takashi; Aoki, Takayuki
2016-05-01
Selections of growing crystals during directional solidification of a polycrystalline binary alloy were numerically investigated using two-dimensional phase-field simulations. To accelerate the simulations, parallel graphics processing unit (GPU) simulations were performed using the GPU-rich supercomputer TSUBAME2.5 at the Tokyo Institute of Technology. Twenty simulations with a combination of five sets of different seed orientation distributions and four different temperature gradients covering dendritic and cellular growth regions were performed. The unusual grain selection phenomenon, in which the unfavorably oriented grains preferentially grow instead of the favorably oriented grains, was observed frequently. The unusual selection was more remarkable in the cellular structure than in the dendritic structure.
Makankin, A.M.; Myalkovskiy, V.V. [Joint Institute for Nuclear Research (JINR), Dubna (Russian Federation); Peshekhonov, V.D., E-mail: Vladimir.Peshekhonov@sunse.jinr.ru [Joint Institute for Nuclear Research (JINR), Dubna (Russian Federation); Ritt, S. [Paul Scherrer Institute (PSI), Villigen (Switzerland); Vasilyev, S.E. [Joint Institute for Nuclear Research (JINR), Dubna (Russian Federation)
2014-01-21
This article presents the results of a study of the longitudinal spatial resolution by means of the direct timing method (DTM) using 2 m long and 9.53 mm diameter straw tubes. The feasibility of achieving the spatial resolution (r.m.s.) better than 2 cm over full length of the straw is demonstrated. The spatial resolution changes little when measured by detecting gammas from a Fe-55 gamma ray source or minimum ionizing electrons from a Ru-106 source. The use of the same type of front end electronics (FEE) both for measuring the drift time of ionization electrons and propagation time of a signal along the anode wire allows one to construct a detector capable for measuring the two dimensional coordinates of charged particles.
Zhang, Xiaofei; Zhou, Min; Li, Jianfeng
2013-01-01
In this paper, we combine the acoustic vector-sensor array parameter estimation problem with the parallel profiles with linear dependencies (PARALIND) model, which was originally applied to biology and chemistry. Exploiting the PARALIND decomposition approach, we propose a blind coherent two-dimensional direction of arrival (2D-DOA) estimation algorithm for arbitrarily spaced acoustic vector-sensor arrays subject to unknown locations. The proposed algorithm works well to achieve automatically paired azimuth and elevation angles for coherent and incoherent angle estimation of acoustic vector-sensor arrays, as well as the paired correlated matrix of the sources. Our algorithm, in contrast with conventional coherent angle estimation algorithms such as the forward backward spatial smoothing (FBSS) estimation of signal parameters via rotational invariance technique (ESPRIT) algorithm, not only has much better angle estimation performance, even for closely-spaced sources, but is also available for arbitrary arrays. Simulation results verify the effectiveness of our algorithm. PMID:23604030
Three-Dimensional Nanometer Features of Direct Current Electrical Trees in Low-Density Polyethylene.
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.
Direct observation of many-body charge density oscillations in a two-dimensional electron gas
Sessi, Paolo; Silkin, Vyacheslav M.; Nechaev, Ilya A.; Bathon, Thomas; El-Kareh, Lydia; Chulkov, Evgueni V.; Echenique, Pedro M.; Bode, Matthias
2015-10-01
Quantum interference is a striking manifestation of one of the basic concepts of quantum mechanics: the particle-wave duality. A spectacular visualization of this effect is the standing wave pattern produced by elastic scattering of surface electrons around defects, which corresponds to a modulation of the electronic local density of states and can be imaged using a scanning tunnelling microscope. To date, quantum-interference measurements were mainly interpreted in terms of interfering electrons or holes of the underlying band-structure description. Here, by imaging energy-dependent standing-wave patterns at noble metal surfaces, we reveal, in addition to the conventional surface-state band, the existence of an `anomalous' energy band with a well-defined dispersion. Its origin is explained by the presence of a satellite in the structure of the many-body spectral function, which is related to the acoustic surface plasmon. Visualizing the corresponding charge oscillations provides thus direct access to many-body interactions at the atomic scale.
Haberku, Jakub; Scheffold, Frank
2013-01-01
In the present article we substantially expand on our recent study about the fabrication of mesoscale polymeric templates of disordered photonic network materials. 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 $a=3.3\\mu m$ to $a=2\\mu m$, bringing it closer to the technologically relevant fiber-optic communications wavelength range around $\\lambda \\sim 1.5 \\mu m$. We have employed scanning electron microscopy coupled with focused ion beam cutting to look inside the bulk of the samples of different height. 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 question about scalability, finite size effects and geometrical distortions. We also study the effect of the li...
Direct three dimensional observation of the microstructure and chemistry of C3S hydration
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.
Path Partition in Directed Graph – Modeling and Optimization
Issam Abdel Kader
2013-03-01
Full Text Available The concept of graph theory is therefore perfectly suitable to structure a problem in its initial analysis phases since a graph is the most general mathematical object. At the structural level, the nodes represent the objects, the variables… and the arc forms the binary relation of influence among them. Many real problems can be modeled as path partition in directed graph that played particular role in the operation of arranging a set of nodes especially in case of directed acyclic graph (DAG. We encounter such graph in schedule problems, the analysis of language structure, the probability theory, the game theory, compilers…. Moreover managerial problem can be modeled as acyclic graphs, also the potential problem has a suitable solution if and only if the graph is acyclic.
Michaelakis, Antonios; Vidali, Veroniki P; Papachristos, Dimitrios P; Pitsinos, Emmanuel N; Koliopoulos, George; Couladouros, Elias A; Polissiou, Moschos G; Kimbaris, Athanasios C
2014-02-01
Twenty acyclic monoterpenes with different functional groups (acetoxy, hydroxyl, carbonyl and carboxyl) bearing a variable number of carbon double bonds were assayed as repellent and larvicidal agents against the West Nile vector Culex pipiens. Seven of them were derivatives that were synthesized through either hydrogenation or oxidation procedures. All repellent compounds were tested at the dose of 1mgcm(-2) and only neral and geranial were also tested at a 4-fold lower dose (0.25mgcm(-2)). Repellency results revealed that geranial, neral, nerol, citronellol, geranyl acetate and three more derivatives dihydrolinalool (3), dihydrocitronellol (5) and dihydrocitronellyl acetate (6) resulted in no landings. Based on the LC50 values the derivative dihydrocitronellyl acetate (6) was the most active of all, resulting in an LC50 value of 17.9mgL(-1). Linalyl acetate, citronellyl acetate, neryl acetate, geranyl acetate, dihydrocitronellol (5), dihydrocitronellal (7), citronellol, dihydrolinalyl acetate (2), citronellic acid and tetrahydrolinalyl acetate (1) were also toxic with LC50 values ranging from 23 to 45mgL(-1). Factors modulating toxicity have been identified, thus providing information on structural requirements for the selected acyclic monoterpenes. The acetoxy group enhanced toxicity, without being significantly affected by the unsaturation degree. Within esters, reduction of the vinyl group appears to decrease potency. Presence of a hydroxyl or carbonyl group resulted in increased activity but only in correlation to saturation degree. Branched alcohols proved ineffective compared to the corresponding linear isomers. Finally, as it concerns acids, data do not allow generalizations or correlations to be made.
New acyclic secondary metabolites from the biologically active fraction of Albizia lebbeck flowers.
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.
New acyclic secondary metabolites from the biologically active fraction of Albizia lebbeck flowers
Shaza M. Al-Massarani
2017-01-01
Full Text Available 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.
Baskan, O; Speetjens, M F M; Metcalfe, G; Clercx, H J H
2015-10-01
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.
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
Baskan, O.; Clercx, H. J. H [Fluid Dynamics Laboratory, Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven (Netherlands); Speetjens, M. F. M. [Energy Technology Laboratory, Department of Mechanical Engineering, Eindhoven University of Technology, P.O. Box 513, 5600 MB Eindhoven (Netherlands); Metcalfe, G. [Commonwealth Scientific and Industrial Research Organisation, Melbourne, Victoria 3190 (Australia); Swinburne University of Technology, Department of Mechanical Engineering, Hawthorn VIC 3122 (Australia)
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.
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.
Wang, Xuefeng; Ohlin, Christian A; Lu, Qinghua; Hu, Jun
2008-05-01
The extracellular matrix in animal tissues usually provides a three-dimensional structural support to cells in addition to performing various other important functions. In the present study, wavy submicrometer laser-irradiated periodic surface structures (LIPSS) were produced on a smooth polystyrene film by polarized laser irradiation with a wavelength of 266 nm. Rat C6 glioma cells exhibited directional migration and oriented division on laser-irradiated polystyrene, which was parallel to the direction of LIPSS. However, rat C6 glioma cells on smooth polystyrene moved in a three-step invasion cycle, with faster migration speed than that on laser-irradiated polystyrene. In addition, focal adhesions examined by immunostaining focal adhesion kinase in human epithelial carcinoma HeLa cells were punctuated on smooth polystyrene, whereas dash-like on laser-irradiated polystyrene. We hypothesized that LIPSS on laser-irradiated polystyrene acted as an anisotropic and persistent mechanical stimulus to guide cell anisotropic spreading, migration and division through focal adhesions.
Acyclic chromatic indices of K4-minor free graphs%没有K4-图子式的图的无圈边色数
王维凡; 舒巧君
2011-01-01
一个图G的无圈k-边染色是指G的一个正常的不产生双色圈的k-边染色.G的无圈边色数a1(G)定义为使得G有一个无圈k-边染色的最小的整数k.本文完全刻画了最大度不为4的没有K4-图子式的图的无圈边色数.%An acyclic edge coloring of a graph G is a proper edge coloring such that no Dichromatic cycles are produced. The acyclic chromatic index a'(G) of G is the smallest integer k such that G has an acyclic edge coloring using k colors. In this paper, we determine completely the acyclic chromatic indices of K4-minor free graphs with maximum degree not equal to 4.
Ruith, Michael Rudolf
Vortex breakdown of nominally axisymmetric, swirling incompressible jets and wakes issuing into a semi-infinite domain is studied by means of direct numerical simulations, as well as local and global linear stability analyses. From the point of view of specifying conditions at the open boundaries, this class of flows is particularly challenging due to its ability to support traveling waves. Several boundary conditions, ranging from free-slip and various homogeneous Neumann conditions to radiation conditions, are implemented in a staggered grid, finite difference algorithm that solves the unsteady Navier-Stokes equations in cylindrical coordinates by means of a fractional step method. Their advantages and shortcomings are evaluated in detail, and the question of the proper implementation of intermediate step boundary conditions is addressed. The data obtained from a large variety of test simulations points to the radiation condition as the most suitable lateral and outflow boundary condition for both high and low entrainment jets and wakes. A two-parameterc low entrainment velocity profile for which the steady, axisymmetric breakdown is well studied is selected for further investigation. Hence, issues regarding the role of three-dimensionality and unsteadiness with respect to the existence, mode selection, and internal structure of vortex breakdown can be addressed in terms of the two governing parameters and the Reynolds number. Low Reynolds numbers are found to yield flow fields lacking breakdown bubbles or helical breakdown modes even for high swirl. In contrast, highly swirling flows at large Reynolds numbers exhibit bubble, helical or double helical breakdown modes, where the axisymmetric mode is promoted by a jet-like axial velocity profile, while a wake-like profile renders the flow helically unstable and ultimately yields non-axisymmetric breakdown modes. It is shown that a transition from super- to subcritical flow, accurately predicts the parameter
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
DING Wan; WU Jianxu; YAO Yan’an
2015-01-01
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
Venhorst, Andreas; Micklewright, Dominic; Noakes, Timothy D
2017-08-23
The Central Governor Model (CGM) ignited a paradigm shift from concepts of catastrophic failure towards central regulation of exercise performance. However, the CGM has focused on the central integration of afferent feedback in homeostatic control. Accordingly, it neglected the important role of volitional self-regulatory control and the integration of affective components inherently attached to all physiological cues. Another limitation is the large reliance on the Gestalt phenomenon of perceived exertion. Thus, progress towards a comprehensive multidimensional model of perceived fatigability and exercise regulation is needed. Drawing on Gate Control Theory of pain, we propose a three-dimensional framework of centrally regulated and goal-directed exercise behaviour, which differentiates between sensory, affective and cognitive processes shaping the perceptual milieu during exercise. We propose that: (A) perceived mental strain and perceived physical strain are primary determinants of pacing behaviour reflecting sensory-discriminatory processes necessary to align planned behaviour with current physiological state, (B) core affect plays a primary and mediatory role in exercise and performance regulation, and its underlying two dimensions hedonicity and arousal reflect affective-motivational processes triggering approach and avoidance behaviour, and (C) the mindset-shift associated with an action crisis plays a primary role in volitional self-regulatory control reflecting cognitive-evaluative processes between further goal-pursuit and goal-disengagement. The proposed framework has the potential to enrich theory development in centrally regulated and goal-directed exercise behaviour by emphasising the multidimensional dynamic processes underpinning perceived fatigability and provides a practical outline for investigating the complex interplay between the psychophysiological determinants of pacing and performance during prolonged endurance exercise. © Article author
Owens, Edward F; Hosek, Ronald S; Mullin, Linda; Dever, Lydia; Sullivan, Stephanie G B; Russell, Brent S
The purpose of this study was to measure faculty performance of simulated spinal manipulation on a mannequin to help identify teaching standards. We measured 3-dimensional transmitted loads using a force plate mounted in the table. Thrusts were delivered through a compliant, jointed mannequin by faculty members along predefined "listings" as taught in lumbopelvic technique courses. Eleven chiropractic faculty members participated, delivering 9 thrusts at 3 loads (light, moderate, and heavy) along 9 different prone and side-posture listings, totaling 81 thrusts per participant. Single-hand Gonstead-style thrusts had variability in magnitude across participants and loads: light thrusts averaged 365 N (95% confidence interval [CI] 327-402), moderate thrusts 454 N (421-487), and heavy thrusts 682 N (623-740). All faculty members could easily distinguish the loads within their performances, but there was some crossover of load levels between participants. Thrust rates averaged 3.55 N/ms (95% CI 3.29-3.82). The dominant vector of prone thrusts was in the z direction (vertically downward), but side-to-side and inferior-to-superior vector components occurred. Faculty member performance of simulated spinal manipulation indicated that they are able to control the thrust magnitude and rate as well as direction. In this sample, there was significant variability in peak loads between participants, which needs to be considered in student learning standards. These findings may be useful in translating the understanding of force characteristics to the technique teaching lab. Copyright © 2017. Published by Elsevier Inc.
Guang Hua
2015-01-01
Full Text Available A polynomial rooting direction of arrival (DOA algorithm for multiple plane waves incident on an arbitrary array structure that combines the multipolynomial resultants and matrix computations is proposed in this paper. Firstly, a new auxiliary-variable manifold separation technique (AV-MST is used to model the steering vector of arbitrary array structure as the product of a sampling matrix (dependent only on the array structure and two Vandermonde-structured wavefield coefficient vectors (dependent on the wavefield. Then the propagator operator is calculated and used to form a system of bivariate polynomial equations. Finally, the automatically paired azimuth and elevation estimates are derived by polynomial rooting. The presented algorithm employs the concept of auxiliary-variable manifold separation technique which requires no sector by sector array interpolation and thus does not suffer from any mapping errors. In addition, the new algorithm does not need any eigenvalue decomposition of the covariance matrix and exhausted search over the two-dimensional parameter space. Moreover, the algorithm gives automatically paired estimates, thus avoiding the complex pairing procedure. Therefore, the proposed algorithm shows low computational complexity and high robustness performance. Simulation results are shown to validate the effectiveness of the proposed method.
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.
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.
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.
Amatyakul, Puwis; Vachiratienchai, Chatchai; Siripunvaraporn, Weerachai
2017-05-01
An efficient joint two-dimensional direct current resistivity (DCR) and magnetotelluric (MT) inversion, referred to as WSJointInv2D-MT-DCR, was developed with FORTRAN 95 based on the data space Occam's inversion algorithm. Our joint inversion software can be used to invert just the MT data or the DCR data, or invert both data sets simultaneously to get the electrical resistivity structures. Since both MT and DCR surveys yield the same resistivity structures, the two data types enhance each other leading to a better interpretation. Two synthetic and a real field survey are used here to demonstrate that the joint DCR and MT surveys can help constrain each other to reduce the ambiguities occurring when inverting the DCR or MT alone. The DCR data increases the lateral resolution of the near surface structures while the MT data reveals the deeper structures. When the MT apparent resistivity suffers from the static shift, the DCR apparent resistivity can serve as a replacement for the estimation of the static shift factor using the joint inversion. In addition, we also used these examples to show the efficiency of our joint inversion code. With the availability of our new joint inversion software, we expect the number of joint DCR and MT surveys to increase in the future.
Robbins, Joshua; Voth, Thomas
2011-06-01
Material response to dynamic loading is often dominated by microstructure such as grain topology, porosity, inclusions, and defects; however, many models rely on assumptions of homogeneity. We use the probabilistic finite element method (WK Liu, IJNME, 1986) to introduce local uncertainty to account for material heterogeneity. The PFEM uses statistical information about the local material response (i.e., its expectation, coefficient of variation, and autocorrelation) drawn from knowledge of the microstructure, single crystal behavior, and direct numerical simulation (DNS) to determine the expectation and covariance of the system response (velocity, strain, stress, etc). This approach is compared to resolved grain-scale simulations of the equivalent system. The microstructures used for the DNS are produced using Monte Carlo simulations of grain growth, and a sufficient number of realizations are computed to ensure a meaningful comparison. Finally, comments are made regarding the suitability of one-dimensional PFEM for modeling material heterogeneity. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.
Balaban, Alexandru T; Klein, Douglas J; Ortiz, Yenni P
2015-01-01
Diamondoids are hydrocarbons having a carbon scaffold comprised from polymer-like composites of adamantane cages. The present paper describes computed total energies and "SWB-tension" energies (often referred to as "strain" energies) for species having $n$ adamantane or diamantane units sharing pairwise: one carbon atom (spiro-[n]adamantane or spiro-[$n$]diamantane); one C-C bond (one-bond-sharing-[$n$]adamantane or one-bond-sharing-[$n$]diamantane); or one chair-shaped hexagon of carbon atoms (1234-helical-cata-[$n$]diamantanes). Each of the five investigated polymer-like types is considered either as an acyclic or a cyclic chain of adamantane- or diamantane-unit cages. With increasing $n$ values, SWB-tension energies for acyclic aggregates are found to increase linearly, while the net SWB-tension energies of cyclic aggregates often go thru a minimum at a suitable value of $n$. In all five cases, a limiting common energy per unit ($E/n$ ) is found to be approached by both cyclic and acyclic chains as $n\\to \\...
Naether, Uta; Johansson, Magnus
2010-01-01
We address the problem of directional mobility of discrete solitons in two-dimensional rectangular lattices, in the framework of a discrete nonlinear Schr\\"odinger model with saturable on-site nonlinearity. A numerical constrained Newton-Raphson method is used to calculate two-dimensional Peierls-Nabarro energy surfaces, which describe a pseudopotential landscape for the slow mobility of coherent localized excitations, corresponding to continuous phase-space trajectories passing close to stationary modes. Investigating the two-parameter space of the model through independent variations of the nonlinearity constant and the power, we show how parameter regimes and directions of good mobility are connected to existence of smooth surfaces connecting the stationary states. In particular, directions where solutions can move with minimum radiation can be predicted from flatter parts of the surfaces. For such mobile solutions, slight perturbations in the transverse direction yield additional transverse oscillations w...
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
Polarizable empirical force field for acyclic polyalcohols based on the classical Drude oscillator.
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.
A new acyclic diterpene acid and bioactive compounds from Knema glauca.
Rangkaew, Noppadon; Suttisri, Rutt; Moriyasu, Masataka; Kawanishi, Kazuko
2009-05-01
Investigation of the chemical constituents of the fruits of Knema glauca (Myristicaceae) yielded a new acyclic diterpene acid, named glaucaic acid 4, together with four acylphenols, including 1-(2,6-dihydroxyphenyl) tetradecan-1-one 1, malabaricone A 6, dodecanoylphloroglucinol 7 and 1-(2,4,6-trihydroxyphenyl)-9-phenylnonan-1-one 8, two lignans sesamin 2 and asarinin 3, and a flavan, myristinin D 5. In addition, myristinin A 9 and (+/-)-7,4'-dihydroxy-3'-methoxyflavan 10 were isolated from its leaves and stems, respectively. When tested against small-cell lung cancer (NCI-H187), epidermoid carcinoma (KB) and breast cancer (BC) cell lines, compounds 1, 6-8 and 10 displayed weak to moderate cytotoxicity. The acylphenols 6-8 displayed antituberculosis activity against the microbe Mycobacterium tuberculosis with MIC values of 25, 50 and 100 microg/mL, respectively, and antiviral activity against herpes simplex virus type 1, with 7 as the most active compound (IC(50) = 3.05 microg/mL). Malabaricone A 6 was also active against the malarial parasite Plasmodium falciparum with an IC(50) value of 2.78 microg/mL.
Synthesis of modified cyclic and acyclic dextrins and comparison of their complexation ability
Kata Tuza
2014-12-01
Full Text Available We compared the complex forming ability of α-, β- and γ-cyclodextrins (α-CD, β-CD and γ-CD with their open ring analogs. In addition to the native cyclodextrins also modified cyclodextrins and the corresponding maltooligomers, functionalized with neutral 2-hydroxypropyl moieties, were synthesized. A new synthetic route was worked out via bromination, benzylation, deacetylation and debenzylation to obtain the 2-hydroxypropyl maltooligomer counterparts. The complexation properties of non-modified and modified cyclic and acyclic dextrins were studied and compared by photon correlation spectroscopy (PCS and capillary electrophoresis (CE using model guest compounds. In some cases cyclodextrins and their open-ring analogs (acyclodextrins show similar complexation abilities, while with other guests considerably different behavior was observed depending on the molecular dimensions and chemical characteristics of the guests. This was explained by the enhanced flexibility of the non-closed rings. Even the signs of enantiorecognition were observed for the chloropheniramine/hydroxypropyl maltohexaose system. Further studies are planned to help the deeper understanding of the interactions.
Griepink, F.C.; Drijfhout, F.P.; Beek, van T.A.; Visser, H.J.; Groot, de C.P.G.M.
2000-01-01
The amounts and ratios of the four constituents of the sex pheromone gland of the moth Symmetrischema tangolias were measured during a 24-hr dark–light cycle. A new approach was followed that involved the direct introduction of sex pheromone glands into the liner of a two-dimensional gas chromatogra
Yosefy, Chaim; Hung, Judy; Chua, Sarah; Vaturi, Mordehay; Ton-Nu, Thanh-Thao; Handschumacher, Mark D.; Levine, Robert A.
2009-01-01
We tested the hypothesis that vena contracta (VC) cross-sectional area in patients with mitral regurgitation (MR) can be reproducibly measured by real-time three-dimensional echocardiography (RT3DE) and correlates well with volumetric effective regurgitant orifice area (EROA). Earlier MR repair requires accurate noninvasive measures, but VC area is practically difficult to image in 2D views, which are often oblique to it. 3DE can provide an otherwise unobtainable true cross-sectional view. In 45 patients with >mild MR, 44% eccentric, 2D and 3D VC areas were measured and correlated with EROA derived from regurgitant stroke volume. RT3DE VC area correlated and agreed well with EROA for both central and eccentric jets (r2=0.86, SEE=0.02 cm2, difference = 0.04±0.06 cm2, p=NS). For eccentric jets, 2DE overestimated VC width compared with 3DE (p=0.024) and correlated more poorly with EROA (r2=0.61 vs. 0.85, p<0.001), causing clinical misclassification in 45% of patients with eccentric MR. Interobserver variability for 3D VC area was 0.03 cm2 (7.5% of the mean, r=0.95); intraobserver was 0.01 cm2 (2.5%, r=0.97). In conclusion, RT3DE accurately and reproducibly quantifies vena contracta cross-sectional area in patients with both central and eccentric MR. Rapid acquisition and intuitive analysis promote practical clinical application of this central, directly visualized measure and its correlation with outcome. PMID:19766767
Chakravarthy, S.
1978-01-01
An efficient, direct finite difference method is presented for computing sound propagation in non-stepped two-dimensional and axisymmetric ducts of arbitrarily varying cross section without mean flow. The method is not restricted by axial variation of acoustic impedance of the duct wall linings. The non-uniform two-dimensional or axisymmetric duct is conformally mapped numerically into a rectangular or cylindrical computational domain using a new procedure based on a method of fast direct solution of the Cauchy-Riemann equations. The resulting Helmholtz equation in the computational domain is separable. The solution to the governing equation and boundary conditions is expressed as a linear combination of fundamental solutions. The fundamental solutions are computed only once for each duct shape by means of the fast direct cyclic reduction method for the discrete solution of separable elliptic equations. Numerical results for several examples are presented to show the applicability and efficiency of the method.
Wu, Jingbo; Mayorov, Alexander S.; Wood, Christopher D.; Mistry, Divyang; Li, Lianhe; Linfield, Edmund H.; Giles Davies, A.; Cunningham, John E., E-mail: j.e.cunningham@leeds.ac.uk [School of Electronic and Electrical Engineering, University of Leeds, Woodhouse Lane, Leeds LS2 9JT (United Kingdom); Sydoruk, Oleksiy [Optical and Semiconductor Devices Group, Department of Electrical and Electronic Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ (United Kingdom)
2016-02-29
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.
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.
Huizinga, B.J.; Tannenbaum, E.; Kaplan, I.R.
1987-05-01
A series of pyrolysis experiments, utilizing two different immature oil-prone kerogens 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, C/sub 12+/-range n-alkanes and acyclic isoprenoids are mostly destroyed by montmorillonite but undergo only a 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 of 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. 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.
Hogrebe, Nathaniel J; Gooch, Keith J
2016-09-01
Much is unknown about the effects of culture dimensionality on cell behavior due to the lack of biomimetic substrates that are suitable for directly comparing cells grown on two-dimensional (2D) and encapsulated within three-dimensional (3D) matrices of the same stiffness and biochemistry. To overcome this limitation, we used a self-assembling peptide hydrogel system that has tunable stiffness and cell-binding site density as well as a fibrous microarchitecture resembling the structure of collagen. We investigated the effect of culture dimensionality on human mesenchymal stem cell differentiation at different values of matrix stiffness (G' = 0.25, 1.25, 5, and 10 kPa) and a constant RGD (Arg-Gly-Asp) binding site concentration. In the presence of the same soluble induction factors, culture on top of stiff gels facilitated the most efficient osteogenesis, while encapsulation within the same stiff gels resulted in a switch to predominantly terminal chondrogenesis. Adipogenesis dominated at soft conditions, and 3D culture induced better adipogenic differentiation than 2D culture at a given stiffness. Interestingly, initial matrix-induced cell morphology was predictive of these end phenotypes. Furthermore, optimal culture conditions corresponded to each cell type's natural niche within the body, highlighting the importance of incorporating native matrix dimensionality and stiffness into tissue engineering strategies. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 104A: 2356-2368, 2016.
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 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 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.
Lennernaes, Bo (Dept. of Oncology, Sahlgrenska Hospital and Academy, Univ. of Gothenburg, Gothenburg (Sweden)), e-mail: bo.lennernas@telia.com; Castellanos, Enrique; Nilsson, Sten; Levitt, Seymour (Dept. of Oncology/Pathology, Karolinska Univ. Hospital and Institutet, Stockholm (Sweden))
2011-06-15
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
Liqin Jiang
2014-08-01
Full Text Available An efficient and general copper-catalyzed Goldberg reaction at 90–110 °C between aryl bromides and amides providing the desired products in good to excellent yields has been developed using N,N-dimethylglycine as the ligand. The reaction is tolerant toward a wide range of amides and a variety of functional group substituted aryl bromides. In addition, hindered, unreactive aromatic and aliphatic secondary acyclic amides, known to be poor nucleophiles, are efficiently coupled with aryl iodides through this simple and cheap copper/N,N-dimethylglycine catalytic system.
Jubeli, Emile; Maginty, A. B.; Khalique, N. A.;
2016-01-01
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...... 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...
Xian-Yang Qin
Full Text Available BACKGROUND/PURPOSE: Acyclic retinoid (ACR is a promising chemopreventive agent for hepatocellular carcinoma (HCC that selectively inhibits the growth of HCC cells (JHH7 but not normal hepatic cells (Hc. To better understand the molecular basis of the selective anti-cancer effect of ACR, we performed nuclear magnetic resonance (NMR-based and capillary electrophoresis time-of-flight mass spectrometry (CE-TOFMS-based metabolome analyses in JHH7 and Hc cells after treatment with ACR. METHODOLOGY/PRINCIPAL FINDINGS: NMR-based metabolomics revealed a distinct metabolomic profile of JHH7 cells at 18 h after ACR treatment but not at 4 h after ACR treatment. CE-TOFMS analysis identified 88 principal metabolites in JHH7 and Hc cells after 24 h of treatment with ethanol (EtOH or ACR. The abundance of 71 of these metabolites was significantly different between EtOH-treated control JHH7 and Hc cells, and 49 of these metabolites were significantly down-regulated in the ACR-treated JHH7 cells compared to the EtOH-treated JHH7 cells. Of particular interest, the increase in adenosine-5'-triphosphate (ATP, the main cellular energy source, that was observed in the EtOH-treated control JHH7 cells was almost completely suppressed in the ACR-treated JHH7 cells; treatment with ACR restored ATP to the basal levels observed in both EtOH-control and ACR-treated Hc cells (0.72-fold compared to the EtOH control-treated JHH7 cells. Moreover, real-time PCR analyses revealed that ACR significantly increased the expression of pyruvate dehydrogenase kinases 4 (PDK4, a key regulator of ATP production, in JHH7 cells but not in Hc cells (3.06-fold and 1.20-fold compared to the EtOH control, respectively. CONCLUSIONS/SIGNIFICANCE: The results of the present study suggest that ACR may suppress the enhanced energy metabolism of JHH7 cells but not Hc cells; this occurs at least in part via the cancer-selective enhancement of PDK4 expression. The cancer-selective metabolic pathways
Improved Implementation of Point Location in General Two-Dimensional Subdivisions
Hemmer, Michael; Halperin, Dan
2012-01-01
We present a major revamp of the point-location data structure for general two-dimensional subdivisions via randomized incremental construction, implemented in CGAL, the Computational Geometry Algorithms Library. We can now guarantee that the constructed directed acyclic graph G is of linear size and provides logarithmic query time. Via the construction of the Voronoi diagram for a given point set S of size n, this also enables nearest-neighbor queries in guaranteed O(log n) time. Another major innovation is the support of general unbounded subdivisions as well as subdivisions of two-dimensional parametric surfaces such as spheres, tori, cylinders. The implementation is exact, complete, and general; i.e., it can also handle non-linear subdivisions. Like the previous version, the data structure supports modifications of the subdivision, such as insertions and deletions of edges, after the initial preprocessing. A major challenge is to retain the expected O(n log n) preprocessing time while providing the above ...
Nikitenko, Yaroslav
2015-01-01
The directional precision of the sample mean estimator was calculated analytically for the offset exponential and normal distributions in three-dimensional space both for a finite sample and for limiting cases. It was shown that the spherical projection of the sample mean of the shifted exponential distribution has connections with modified Bessel functions and with hypergeometric functions. It was shown explicitly how the distribution of the sample mean of the exponential pdf converges near the mode to the normal distribution. Approximation formulae for the distribution of the sample mean of the shifted exponential distribution and for its directional precision and for the precision of the estimation of the direction of shift of the normal distribution were obtained.
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.
Calero, J.M. [Univ. Industrial de Santander, Bucaramanga (Colombia). Escuela de Fisica; Granada, J.C. [Dept. de Fisica, Univ. del Valle, Cali (Colombia); Silva, E.Z. da [Inst. de Fisica, Univ. Estadual de Campinas (Brazil)
2000-07-01
A nonperturbative method for the evaluation of thermodynamic scaling functions in the critical region of three-dimensional anisotropic type-II superconductors is extended for the case of external magnetic fields with arbitrary angles with respect to the anisotropy axis. The calculations are carried out in the framework of the Ginzburg-Landau theory. Explicit relations are obtained for the angular dependence of the magnetization and specific heat. Our theoretical results are in good agreement with experiments performed in untwinned single crystals of YBa{sub 2}Cu{sub 3}O{sub 7-{delta}}. (orig.)
Zhang, Qi [College of Sciences, Nanjing Tech University, Nanjing 211816 (China); Chen, Xiaojun, E-mail: chenxj_njut@126.com [College of Sciences, Nanjing Tech University, Nanjing 211816 (China); State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009 (China); Tang, Yin [Zhangjiagang Hospital of Traditional Chinese Medicine, Zhangjiagang 215600 (China); Ge, Lingna; Guo, Buhua [College of Sciences, Nanjing Tech University, Nanjing 211816 (China); Yao, Cheng, E-mail: yaochengnjut@163.com [College of Sciences, Nanjing Tech University, Nanjing 211816 (China)
2014-03-01
Highlights: • Three dimensional ordered macroporous magnetic electrode was newly used in electrochemical immunosensor. • The large surface area of macroporous magnetic electrode could improve the immobilized amount of antibody. • Au nanoparticles functionalized SBA-15 was used to immobilize enzyme labeled Ab₂ and enzyme. • Macroporous magnetic electrode and Au nanoparticles composite facilitated the direct electron transfer of enzyme. • The immunoassay avoided adding electron transfer mediator, simplifying the procedure. Abstract: A sandwich-type electrochemical immunosensor for the detection of carbohydrate antigen 19-9 (CA 19-9) antigen based on the immobilization of primary antibody (Ab₁) on three dimensional ordered macroporous magnetic (3DOMM) electrode, and the direct electrochemistry of horseradish peroxidase (HRP) that was used as both the label of secondary antibody (Ab₂) and the blocking reagent. The 3DOMM electrode was fabricated by introducing core–shell Au–SiO₂@Fe₃O₄ nanospheres onto the surface of three dimensional ordered macroporous (3DOM) Au electrode via the application of an external magnet. Au nanoparticles functionalized SBA-15 (Au@SBA-15) was conjugated to the HRP labeled secondary antibody (HRP-Ab₂) through the Au–SH or Au–NH₃⁺ interaction, and HRP was also used as the block reagent. The formation of antigen–antibody complex made the combination of Au@SBA-15 and 3DOMM exhibit remarkable synergistic effects for accelerating direct electron transfer (DET) between HRP and the electrode. Under the optimal conditions, the DET current signal increased proportionally to CA 19-9 concentration in the range of 0.05 to 15.65 U mL⁻¹ with a detection limit of 0.01 U mL⁻¹. Moreover, the immunosensor showed high selectivity, good stability, satisfactory reproducibility and regeneration. Importantly, the developed method was used to assay clinical serum specimens, achieving a good relation with those obtained from
Kiwamoto, R.; Spenkelink, A.; Rietjens, I.M.C.M.; Punt, A.
2015-01-01
Acyclic a,ß-unsaturated aldehydes present in food raise a concern because the a,ß-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 s
Guermond, J. L.
2011-05-04
The purpose of this paper is to validate a new highly parallelizable direction splitting algorithm. The parallelization capabilities of this algorithm are illustrated by providing a highly accurate solution for the start-up flow in a three-dimensional impulsively started lid-driven cavity of aspect ratio 1×1×2 at Reynolds numbers 1000 and 5000. The computations are done in parallel (up to 1024 processors) on adapted grids of up to 2 billion nodes in three space dimensions. Velocity profiles are given at dimensionless times t=4, 8, and 12; at least four digits are expected to be correct at Re=1000. © 2011 John Wiley & Sons, Ltd.
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.
Fahrenberg, Uli
2004-01-01
We introduce a new notion of directed homology for semicubical sets. We show that it respects directed homotopy and is functorial, and that it appears to enjoy some good algebraic properties. Our work has applications to higher-dimensional automata.......We introduce a new notion of directed homology for semicubical sets. We show that it respects directed homotopy and is functorial, and that it appears to enjoy some good algebraic properties. Our work has applications to higher-dimensional automata....
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.
Hakkinen, Kirsi M.; Harunaga, Jill S.; Doyle, Andrew D.
2011-01-01
Interactions between cells and the extracellular matrix are at the core of tissue engineering and biology. However, most studies of these interactions have used traditional two-dimensional (2D) tissue culture, which is less physiological than three-dimensional (3D) tissue culture. In this study, we compared cell behavior in four types of commonly used extracellular matrix under 2D and 3D conditions. Specifically, we quantified parameters of cell adhesion and migration by human foreskin fibroblasts in cell-derived matrix or hydrogels of collagen type I, fibrin, or basement membrane extract (BME). Fibroblasts in 3D were more spindle shaped with fewer lateral protrusions and substantially reduced actin stress fibers than on 2D matrices; cells failed to spread in 3D BME. Cell–matrix adhesion structures were detected in all matrices. Although the shapes of these cell adhesions differed, the total area per cell occupied by cell–matrix adhesions in 2D and 3D was nearly identical. Fibroblasts migrated most rapidly in cell-derived 3D matrix and collagen and migrated minimally in BME, with highest migration directionality in cell-derived matrix. This identification of quantitative differences in cellular responses to different matrix composition and dimensionality should help guide the development of customized 3D tissue culture and matrix scaffolds for tissue engineering. PMID:20929283
Poudineh, Mahla; Mohamadi, Reza M; Sage, Andrew; Mahmoudian, Laili; Sargent, Edward H; Kelley, Shana O
2014-05-21
Biomarkers such as proteins and nucleic acids released from human cells, bacteria, and viruses offer a wealth of information pertinent to diagnosis and treatment ranging from cancer to infectious disease. The release of these molecules from within cells is a crucial step in biomarker analysis. Here we show that purely electric-field-driven lysis can be achieved, inline, within a microfluidic channel; that it can produce highly efficient lysis and biomarker release; and, further, that it can do so with minimal degradation of the released biomarkers. Central to this new technology is the use of three-dimensional sharp-tipped electrodes (3DSTEs) in lysis, which we prove using experiment and finite-element modeling produce the electric field concentration necessary for efficient cell wall rupture.
M. Ramzan
2015-05-01
Full Text Available This paper deals with steady three dimensional boundary layer flow of an incompressible viscoelastic nanofluid flow in the presence of Newtonian heating. An appropriate transformation is employed to convert the highly non linear partial differential equations into ordinary differential equations. Homotopy Analysis method (HAM is used to find series solution of the obtained coupled highly non linear differential equations. The convergence of HAM solutions is discussed via h-curves. Graphical illustrations displaying the influence of emerging parameters on velocity, temperature and concentration profiles are given. It is observed that γ the conjugate parameter for Newtonian heating show increasing behavior on both temperature and concentration profiles. However, the temperature and concentration profiles are increasing and decreasing functions of Brownian motion parameter Nb respectively.
Toda, H. [Department of Production Systems Engineering, Toyohashi University of Technology, 1-1, Hibarigaoka, Tempaku, Toyohashi, Aichi 441-8580 (Japan)], E-mail: toda@pse.tut.ac.jp; Yamamoto, S.; Kobayashi, M. [Department of Production Systems Engineering, Toyohashi University of Technology, 1-1, Hibarigaoka, Tempaku, Toyohashi, Aichi 441-8580 (Japan); Uesugi, K. [Japan Synchrotron Radiation Research Institute, 1-1-1, Kouto, Mikazuki-cho, Sayo-gun, Hyogo 679-5198 (Japan); Zhang, H. [Department of Production Systems Engineering, Toyohashi University of Technology, 1-1, Hibarigaoka, Tempaku, Toyohashi, Aichi 441-8580 (Japan)
2008-12-15
X-ray microtomography has been utilized for the observation of ductile fractures in an aluminum alloy with an Al/Al-Si dual phase structure. A procedure for analyzing a series of tomographic images is proposed for extracting the variation in the local crack-tip opening displacement (CTOD), and its feasibility is confirmed. Complicated crack growth behavior and the formation of uncracked ligaments ahead of a crack tip are observed in the alloy owing to the marked difference in local fracture toughness between the two phases. The proposed technique has provided a quantitative interpretation for such phenomena. It is clarified that a conventional measurement significantly overestimates the CTOD level. The transition behavior in CTOD has been revealed over a certain distance across an interface between the two phases, suggesting the existence of scaling effects that influence the microstructure/fracture relationship. Overall the current method could offer a highly effective way of assessing three-dimensional local fracture behavior.
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.
Czuba, Thaddeus B.; Rokers, Bas; Guillet, Kyle; Huk, Alexander C.; Cormack, Lawrence K.
2013-01-01
Motion aftereffects are historically considered evidence for neuronal populations tuned to specific directions of motion. Despite a wealth of motion aftereffect studies investigating 2D (frontoparallel) motion mechanisms, there is a remarkable dearth of psychophysical evidence for neuronal populations selective for the direction of motion through depth (i.e., tuned to 3D motion). We compared the effects of prolonged viewing of unidirectional motion under dichoptic and monocular conditions and found large 3D motion aftereffects that could not be explained by simple inheritance of 2D monocular aftereffects. These results (1) demonstrate the existence of neurons tuned to 3D motion as distinct from monocular 2D mechanisms, (2) show that distinct 3D direction selectivity arises from both interocular velocity differences and changing disparities over time, and (3) provide a straightforward psychophysical tool for further probing 3D motion mechanisms. PMID:21945967
Wang, Ruikang K [Department of Biomedical Engineering, Oregon Health and Science University, Portland, OR 97237 (United States)
2007-12-07
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.
Graham, Jonathan Pietarila; Mininni, Pablo D; Pouquet, Annick
2005-10-01
We present direct numerical simulations and Lagrangian averaged (also known as alpha model) simulations of forced and free decaying magnetohydrodynamic turbulence in two dimensions. The statistics of sign cancellations of the current at small scales is studied using both the cancellation exponent and the fractal dimension of the structures. The alpha model is found to have the same scaling behavior between positive and negative contributions as the direct numerical simulations. The alpha model is also able to reproduce the time evolution of these quantities in free decaying turbulence. At large Reynolds numbers, an independence of the cancellation exponent with the Reynolds numbers is observed.
Lewis, Nicholas H. C.; Dong, Hui; Oliver, Thomas A. A.; Fleming, Graham R., E-mail: grfleming@lbl.gov [Department of Chemistry, University of California, Berkeley, California 94720 (United States); Physical Biosciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States); Kavli Energy Nanosciences Institute at Berkeley, Berkeley, California 94720 (United States)
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.
Steiger, Sabine; Mazet, Andreas; Sandmann, Gerhard
2003-06-01
The carotenoid 1,2-hydratase CrtC from Rubrivivax gelatinosus has been expressed in Escherichia coli in an active form and purified by affinity chromatography. The enzyme catalyzes the conversion of various acyclic carotenes including 1-hydroxy derivatives. This broad substrate specificity reflects the participation of CrtC in 1'-HO-spheroidene and in spirilloxanthin biosynthesis. Enzyme kinetic studies including the determination of substrate specificity constants indicate that among the alternative biosynthetic routes to 1'-HO-spheroidene the one via spheroidene is the dominating pathway. In contrast to CrtC from Rvi. gelatinosus, the equivalent enzyme from Rhodobacter capsulatus, a closely related bacterium which lacks the biosynthetic branch to spirilloxanthin and accumulates spheroidene instead of substantial amounts of 1'-HO-spheroidene, is extremely poor in converting 1-HO-carotenoids. The individual catalytic properties of both carotenoid 1,2-hydratases reflect the in situ carotenogenic pathways in both purple photosynthetic bacteria.
Kohnen, M.E.L.; Sinninghe Damste, J.S.; Kock-Van Dalen, A.C.; Schouten, S.; Leeuw, J.W. De. (Delft Univ. of Tech. (Netherlands)); Haven, H.L. Ten (Inst. of Petroleum and Organic Geochemistry, Juelich (Germany))
1991-12-01
Homologous series (C{sub 15}-C{sub 24}) of novel 3-n-alkyl-1,2-dithianes and 3-n-alkyl-6-methyl-1,2-dithianes have been identified in immature sediments. The identification of these compounds was based on comparison of mass spectra and chromatographic data with those of synthesized 3-methyl-6-tridecyl-1,2-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 desulfurization. The occurrence of these cyclic di- and trisulfides with linear, acyclic isoprenoid and hopanoid carbon skeletons in thermally immature sediments indicates that inorganic polysulfides are incorporated into functionalized lipids during the early stages of diagenesis.
Tahmina Haque
2015-03-01
Full Text Available This accounts introduces unique characteristics by adopting the acyclic diene metathesis (ADMET polymerization for synthesis of conjugated polymers, poly(arylene vinylenes, known as promising molecular electronics. The method is more suitable than the other methods in terms of atom efficiency affording defect-free, stereo-regular (exclusive trans polymers with well-defined chain ends; the resultant polymers possess better property than those prepared by the conventional methods. The chain ends (vinyl group in the resultant polymer prepared by ruthenium-carbene catalyst(s can be modified by treating with molybdenum-alkylidene complex (olefin metathesis followed by addition of various aldehyde (Wittig type cleavage, affording the end-functionalized polymers exclusively. An introduction of initiating fragment, the other conjugated segment, and one-pot synthesis of end-functionalized block copolymers, star shape polymers can be achieved by adopting this methodology.
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.
Fontana, Y.; Grzela, G.; Bakkers, E.P.A.M.; Gomez Rivas, J.
2012-01-01
Controlling the dispersion and directionality of the emission of nanosources is one of the major goals of nanophotonics research. This control will allow the development of highly efficient nanosources even at the single-photon level. One of the ways to achieve this goal is to couple the emission to
Jiang, Jun; Ren, Shuang; Liu, Min
2015-11-01
To investigate the impact of the Salter innominate osteotomy on the acetabular morphology and direction and the relationship between them in children with developmental dislocation of the hip (DDH) by three-dimensional CT. Between January 2013 and January 2015, 51 patients with unilateral DDH were treated. All patients were females with an average age of 2 years and 5 months (range, one year and 6 months to 5 years). All the patients underwent open reduction of the hip, Salter innominate osteotomy, proximal femoral osteotomy, and hip cast immobilization for treatment. The data of three-dimensional CT before surgery and at 1 week after surgery were measured and collected as follows: the anterior acetabular index (AAI), posterior acetabular index (PAI), axial acetabular index (AxAI), acetabular anteversion angle (AAA) of the acetabulum, and the distances of the forward, outward, and lateral rotation of the distal osteotomy fragments. The differences of AAI, PAI, AxAI, AAA between before and after surgeries were compared and the difference values of the data with significant difference results were calculated. The relationship between the difference values and the distances of three different rotation directions before and after surgeries were tested by Spearman correlation analysis. There were significant differences in the AAI, PAI, and AAA between before and after surgery (P 0.05). There was a significant correlation between the forward rotation and AAA difference (r = 0.841). Salter innominate osteotomy can increase the curvature of the anterior wall of the acetabulum in DDH, but reduce the curvature of the rear wall. At the same time, it can also change the direction of the acetabulum, significantly decrease the acetabular anteversion, but it can not change the depth of the acetabulum. The main factors of the curvature change after Salter innominate osteotomy of DDH is attributable to outward rotation, followed by forward rotation, and the main factor of the
Guerrero, Julien; Oliveira, Hugo; Catros, Sylvain; Siadous, Robin; Derkaoui, Sidi-Mohammed; Bareille, Reine; Letourneur, Didier; Amédée, Joëlle
2015-03-01
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.
Marloes A. Huis
2017-09-01
Full Text Available Women’s empowerment is an important goal in achieving sustainable development worldwide. Offering access to microfinance services to women is one way to increase women’s empowerment. However, empirical evidence provides mixed results with respect to its effectiveness. We reviewed previous research on the impact of microfinance services on different aspects of women’s empowerment. We propose a Three-Dimensional Model of Women’s Empowerment to integrate previous findings and to gain a deeper understanding of women’s empowerment in the field of microfinance services. This model proposes that women’s empowerment can take place on three distinct dimensions: (1 the micro-level, referring to an individuals’ personal beliefs as well as actions, where personal empowerment can be observed (2 the meso-level, referring to beliefs as well as actions in relation to relevant others, where relational empowerment can be observed and (3 the macro-level, referring to outcomes in the broader, societal context where societal empowerment can be observed. Importantly, we propose that time and culture are important factors that influence women’s empowerment. We suggest that the time lag between an intervention and its evaluation may influence when empowerment effects on the different dimensions occur and that the type of intervention influences the sequence in which the three dimensions can be observed. We suggest that cultures may differ with respect to which components of empowerment are considered indicators of empowerment and how women’s position in society may influence the development of women’s empowerment. We propose that a Three-Dimensional Model of Women’s Empowerment should guide future programs in designing, implementing, and evaluating their interventions. As such our analysis offers two main practical implications. First, based on the model we suggest that future research should differentiate between the three dimensions of women
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.
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
N Abani; S Bakshi; R V Ravikrishna
2007-10-01
In this work, three-dimensional fuel–air mixing inside a conventional spark ignition engine cylinder is simulated under direct injection conditions. The motivation is to explore retroﬁtting of conventional engines for direct injection to take advantage of low emissions and high thermal efﬁciency of the direct injection concept. Fuel–air mixing is studied at different loads by developing and applying a model based on the Lagrangian-drop and Eulerian-ﬂuid (LDEF) procedure for modelling the two-phase ﬂow. The Taylor Analogy Breakup (TAB) model for modelling the hollow cone spray and appropriate models for droplet impingement, drag and evaporation are used. Moving boundary algorithm and two-way interaction between both phases are implemented. Fuel injection timing and quantity is varied with load. Results show that near-stoichiometric fuel–air ratio region is observed at different locations depending on the load. The model developed serves to predict the fuel–air mixing spatially and temporally, and hence is a useful tool in design and optimization of direct injection engines with regards to injector and spark plug locations. Simulations over a range of speed and load indicate the need for a novel ignition strategy involving dual spark plugs and also provide guidelines in deciding spark plug locations.
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.
Igawa, Kazuyo; Mochizuki, Manabu; Sugimori, Osamu; Shimizu, Koutaro; Yamazawa, Kenji; Kawaguchi, Hiroshi; Nakamura, Kozo; Takato, Tsuyoshi; Nishimura, Ryouhei; Suzuki, Shigeki; Anzai, Masahiro; Chung, Ung-il; Sasaki, Nobuo
2006-01-01
Rapid prototyping (RP) is a molding technique that builds a three-dimensional (3D) model from computer-aided design (CAD) data. We fabricated new tailor-made bone implants (TIs) from alpha-tricalcium phosphate powder using an RP ink-jet printer based on computed tomography (CT) data, and evaluated their safety and efficacy. CT data of the skulls of seven beagle dogs were obtained and converted to CAD data, and bone defects were virtually made in the skull bilaterally. TIs were designed to fit the defects and were fabricated using the 3D ink-jet printer with six horizontal cylindrical holes running through the implants, designed for possible facilitation of vascular invasion and bone regeneration. As a control, hydroxyapatite implants (HIs) were cut manually from porous hydroxyapatite blocks. Then, craniectomy was performed to create real skull defects, and TIs and HIs were implanted. After implantation, CT was performed regularly, and the animals were euthanized at 24 weeks. No major side effects were observed. CT analysis showed narrowing of the cylindrical holes; bony bridging between the implants and the temporal bone was observed only for TIs. Histological analysis revealed substantial new bone formation inside the cylindrical holes in the TIs, while mainly connective tissues invaded the porous structures in HIs. Bone marrow was observed only in TIs. Osteoclasts were seen to resorb regenerated bone from inside the cylindrical holes and to invade and probably resorb the TIs. These data suggest that TIs are a safe and effective bone substitute, possessing osteoconductivity comparable with that of HIs.
Zhu, Xiaolu; Gojgini, Shiva; Chen, Ting-Hsuan; Fei, Peng; Dong, Siyan; Ho, Chih-Ming; Segura, Tatiana
2017-01-01
Physical scaffolds are useful for supporting cells to form three-dimensional (3D) tissue. However, it is non-trivial to develop a scheme that can robustly guide cells to self-organize into a tissue with the desired 3D spatial structures. To achieve this goal, the rational regulation of cellular self-organization in 3D extracellular matrix (ECM) such as hydrogel is needed. In this study, we integrated the Turing reaction-diffusion mechanism with the self-organization process of cells and produced multicellular 3D structures with the desired configurations in a rational manner. By optimizing the components of the hydrogel and applying exogenous morphogens, a variety of multicellular 3D architectures composed of multipotent vascular mesenchymal cells (VMCs) were formed inside hyaluronic acid (HA) hydrogels. These 3D architectures could mimic the features of trabecular bones and multicellular nodules. Based on the Turing reaction-diffusion instability of morphogens and cells, a theoretical model was proposed to predict the variations observed in 3D multicellular structures in response to exogenous factors. It enabled the feasibility to obtain diverse types of 3D multicellular structures by addition of Noggin and/or BMP2. The morphological consistency between the simulation prediction and experimental results probably revealed a Turing-type mechanism underlying the 3D self-organization of VMCs in HA hydrogels. Our study has provided new ways to create a variety of self-organized 3D multicellular architectures for regenerating biomaterial and tissues in a Turing mechanism-based approach.
Tzanis, Andreas
2013-02-01
The Ground Probing Radar (GPR) is a valuable tool for near surface geological, geotechnical, engineering, environmental, archaeological and other work. GPR images of the subsurface frequently contain geometric information (constant or variable-dip reflections) from various structures such as bedding, cracks, fractures, etc. Such features are frequently the target of the survey; however, they are usually not good reflectors and they are highly localized in time and in space. Their scale is therefore a factor significantly affecting their detectability. At the same time, the GPR method is very sensitive to broadband noise from buried small objects, electromagnetic anthropogenic activity and systemic factors, which frequently blurs the reflections from such targets. This paper introduces a method to de-noise GPR data and extract geometric information from scale-and-dip dependent structural features, based on one-dimensional B-Spline Wavelets, two-dimensional directional B-Spline Wavelet (BSW) Filters and two-dimensional Gabor Filters. A directional BSW Filter is built by sidewise arranging s identical one-dimensional wavelets of length L, tapering the s-parallel direction (span) with a suitable window function and rotating the resulting matrix to the desired orientation. The length L of the wavelet defines the temporal and spatial scale to be isolated and the span determines the length over which to smooth (spatial resolution). The Gabor Filter is generated by multiplying an elliptical Gaussian by a complex plane wave; at any orientation the temporal or spatial scale(s) to be isolated are determined by the wavelength. λ of the plane wave and the spatial resolution by the spatial aspect ratio γ, which specifies the ellipticity of the support of the Gabor function. At any orientation, both types of filter may be tuned at any frequency or spatial wavenumber by varying the length or the wavelength respectively. The filters can be applied directly to two-dimensional
Glombitza, Clemens; Pedersen, Jeanette; Røy, Hans
2014-01-01
Volatile fatty acids (VFAs) are key intermediates in the microbial food web. However, the analysis of low concentrations of VFAs in marine porewater is hampered by interference from high concentrations of inorganic ions. Published methods often use sample pretreatment, including distillation...... or derivatization, to overcome this problem. This is not only labor intensive but also increases the risk of contamination. We have developed an analytical procedure that enables the direct quantification of several VFAs (formate, acetate, propionate, butyrate, valerate, pyruvate, and lactate) in marine porewater...
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.
The direct-to-indirect band gap crossover in two-dimensional van der Waals Indium Selenide crystals
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.
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.
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.
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.
Dong, Xiao-Bin; Kim, Seung-Cheol; Kim, Eun-Soo
2014-07-14
A new three-directional motion compensation-based novel-look-up-table (3DMC-NLUT) based on its shift-invariance and thin-lens properties, is proposed for video hologram generation of three-dimensional (3-D) objects moving with large depth variations in space. The input 3-D video frames are grouped into a set of eight in sequence, where the first and remaining seven frames in each set become the reference frame (RF) and general frames (GFs), respectively. Hence, each 3-D video frame is segmented into a set of depth-sliced object images (DOIs). Then x, y, and z-directional motion vectors are estimated from blocks and DOIs between the RF and each of the GFs, respectively. With these motion vectors, object motions in space are compensated. Then, only the difference images between the 3-directionally motion-compensated RF and each of the GFs are applied to the NLUT for hologram calculation. Experimental results reveal that the average number of calculated object points and the average calculation time of the proposed method have been reduced compared to those of the conventional NLUT, TR-NLUT and MPEG-NLUT by 38.14%, 69.48%, and 67.41% and 35.30%, 66.39%, and 64.46%, respectively.
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
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.
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.
Soják, Ladislav; Addová, Gabriela; Kubinec, Róbert; Kraus, Angelika; Hu, Gengyuan
2002-02-15
Published retention indices of acyclic alkenes C5-C7 on squalane and polydimethylsiloxane as stationary phases were investigated, and reliable retention indices of alkenes from various sources were converted to separation systems used in a laboratory. Retention indices measured on available authentic commercial alkenes and on alkenic fraction of gasoline, published retention indices as well as means of GC-MS were used for verification of calculated retention indices. Retention of some gas chromatographic unseparated isomer pairs was obtained by mass spectrometric deconvolution using a specific single-ion monitoring. On the basis of these retention data, C5-C7 alkenes were identified and analyzed in the gasoline from fluid catalytic cracking. In the gasoline all 59 acyclic C5-C7 isomeric alkenes were determined at significantly different concentration levels.
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.
Weiser, Diána; Bencze, László Csaba; Bánóczi, Gergely; Ender, Ferenc; Kiss, Róbert; Kókai, Eszter; Szilágyi, András; Vértessy, Beáta G; Farkas, Ödön; Paizs, Csaba; Poppe, László
2015-11-01
Phenylalanine ammonia-lyase (PAL), found in many organisms, catalyzes the deamination of l-phenylalanine (Phe) to (E)-cinnamate by the aid of its MIO prosthetic group. By using PAL immobilized on magnetic nanoparticles and fixed in a microfluidic reactor with an in-line UV detector, we demonstrated that PAL can catalyze ammonia elimination from the acyclic propargylglycine (PG) to yield (E)-pent-2-ene-4-ynoate. This highlights new opportunities to extend MIO enzymes towards acyclic substrates. As PG is acyclic, its deamination cannot involve a Friedel-Crafts-type attack at an aromatic ring. The reversibility of the PAL reaction, demonstrated by the ammonia addition to (E)-pent-2-ene-4-ynoate yielding enantiopure l-PG, contradicts the proposed highly exothermic single-step mechanism. Computations with the QM/MM models of the N-MIO intermediates from L-PG and L-Phe in PAL show similar arrangements within the active site, thus supporting a mechanism via the N-MIO intermediate.
Ghani S. A. C.
2017-01-01
Full Text Available Selective laser melting(SLM and direct metal laser sintering(DMLS are preferred additive manufacturing processes in producing complex physical products directly from CAD computer data, nowadays. The advancement of additive manufacturing promotes the design of internally cooled cutting tool for effectively used in removing generated heat in metal machining. Despite the utilisation of SLM and DMLS in a fabrication of internally cooled cutting tool, the level of accuracy of the parts produced remains uncertain. This paper aims at comparing the dimensional accuracy of SLM and DMLS in machining internally cooled cutting tool with a special focus on geometrical dimensions such as hole diameter. The surface roughness produced by the two processes are measured with contact perthometer. To achieve the objectives, geometrical dimensions of identical tool holders for internally cooled cutting tools fabricated by SLM and DMLS have been determined by using digital vernier calliper and various magnification of a portable microscope. In the current study, comparing internally cooled cutting tools made of SLM and DMLS showed that generally the higher degree of accuracy could be obtained with DMLS process. However, the observed differences in surface roughness between SLM and DMLS in this study were not significant. The most obvious finding to emerge from this study is that the additive manufacturing processes selected for fabricating the tool holders for internally cooled cutting tool in this research are capable of producing the desired internal channel shape of internally cooled cutting tool.
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.
Ye, Ke; Guo, Fen; Gao, Yinyi; Zhang, Dongming; Cheng, Kui; Zhang, Wenping; Wang, Guiling; Cao, Dianxue
2015-12-01
A novel three-dimensional carbon- and binder-free nickel nanowire arrays (Ni NAs) electrode is successfully fabricated by a facile galvanostatic electrodeposition method using polycarbonate membrane as the template. The Ni NAs electrode achieves a oxidation current density (divided by the electroactive surface areas of Ni) of 25.1 mA cm-2 in 4 mol L-1 KOH and 0.9 mol L-1 H2O2 at 0.2 V (vs. Ag/AgCl) accompanied with a desirable stability, which is significantly higher than the catalytic activity of H2O2 electro-oxidation achieved previously with precious metals as catalysts. The impressive electrocatalytic performance is largely attributed to the superior 3D open structure and high electronic conductivity, which ensures the high utilization of Ni surfaces and makes the electrode have higher electrochemical activity. The apparent activation energy of H2O2 electro-oxidation on the Ni NAs catalyst is 13.59 kJ mol-1. A direct peroxide-peroxide fuel cell using the Ni NAs as anode exhibits a peak power density of 48.7 mW cm-2 at 20 °C. The electrode displays a great promise as the anode of direct peroxide-peroxide fuel cell due to its low cost, high activity and stability.
Hall, Gunnsteinn; Eliceiri, Kevin W; Campagnola, Paul J
2013-11-01
Second-harmonic generation (SHG) microscopy has intrinsic contrast for imaging fibrillar collagen and has shown great promise for disease characterization and diagnostics. In addition to morphology, additional information is achievable as the initially emitted SHG radiation directionality is related to subresolution fibril size and distribution. We show that by two parameter fittings, both the emission pattern (FSHG/BSHG)creation and the reduced scattering coefficient μs', can be obtained from the best fits between three-dimensional experimental data and Monte Carlo simulations. The improved simulation framework accounts for collection apertures for the detected forward and backward components. We apply the new simulation framework to mouse tail tendon for validation and show that the spectral slope of μs' obtained is similar to that from bulk optical measurements and that the (FSHG/BSHG)creation values are also similar to previous results. Additionally, we find that the SHG emission becomes increasingly forward directed at longer wavelengths, which is consistent with decreased dispersion in refractive index between the laser and SHG wavelengths. As both the spectral slope of μs' and (FSHG/BSHG)creation have been linked to the underlying tissue structure, simultaneously obtaining these parameters on a microscope platform from the same tissue provides a powerful method for tissue characterization.
Hens, Marc; Vaidyanathan, Ganesan; Welsh, Phil [Department of Radiology, Duke University Medical Center, Durham, NC 27710 (United States); Zalutsky, Michael R. [Department of Radiology, Duke University Medical Center, Durham, NC 27710 (United States)], E-mail: zalut001@mc.duke.edu
2009-02-15
Introduction: The monoclonal antibody (mAb) L8A4, reactive with the epidermal growth factor receptor variant III (EGFRvIII), internalizes rapidly in glioma cells after receptor binding. Combining this tumor-specific mAb with the low-energy {beta}-emitter {sup 177}Lu would be an attractive approach for brain tumor radioimmunotherapy, provided that trapping of the radionuclide in tumor cells after mAb intracellular processing could be maximized. Materials and Methods: L8A4 mAb was labeled with {sup 177}Lu using the acyclic ligands [(R)-2-amino-3-(4-isothiocyanatophenyl)propyl]-trans-(S,S) -cyclohexane-1,2-diamine-pentaacetic acid (CHX-A''-DTPA), 2-(4-isothiocyanatobenzyl)-diethylenetriaminepenta-acetic acid (pSCN-Bz-DTPA) and 2-(4-isothiocyanatobenzyl)-6-methyldiethylenetriaminepentaacetic acid (1B4M-DTPA), and the macrocyclic ligands S-2-(4-isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane-tetraacetic acid (C-DOTA) and {alpha}-(5-isothiocyanato-2-methoxyphenyl)-1,4,7,10-tetraazacyclododecane-1,4,7, 10-tetraacetic acid (MeO-DOTA). Paired-label internalization and cellular processing assays were performed on EGFRvIII-expressing U87.{delta}EGFR glioma cells over 24 h to directly compare {sup 177}Lu-labeled L8A4 to L8A4 labeled with {sup 125}I using either iodogen or N-succinimidyl 4-guanidinomethyl-3-[{sup 125}I]iodobenzoate ([{sup 125}I]SGMIB). In order to facilitate comparison of labeling methods, the primary parameter evaluated was the ratio of {sup 177}Lu to {sup 125}I activity retained in U87.{delta}EGFR cells. Results: All chelates demonstrated higher retention of internalized activity compared with mAb labeled using iodogen, with {sup 177}Lu/{sup 125}I ratios of >20 observed for the three DTPA chelates at 24 h. When compared to L8A4 labeled using SGMIB, except for MeO-DOTA, internalized activity for {sup 125}I was higher than {sup 177}Lu from 1-8 h with the opposite behavior observed thereafter. At 24 h, {sup 177}Lu/{sup 125}I ratios were between 1
Plazinski, Wojciech; Plazinska, Anita; Drach, Mateusz
2016-04-14
The molecular properties of aldohexoses and ketohexoses are usually studied in the context of their cyclic, furanose or pyranose structures which is due to the abundance of related tautomeric forms in aqueous solution. We studied the conformational features of a complete series of D-aldohexoses (D-allose, D-altrose, D-glucose, D-mannose, D-gulose, d-idose, D-galactose and D-talose) and D-ketohexoses (D-psicose, D-fructose, D-sorbose and D-tagatose) as well as of L-psicose by using microsecond-timescale molecular dynamics in explicit water and DMSO with the use of enhanced sampling methods. In each of the studied cases the preferred conformation corresponded to an extended chain structure; the less populated conformers included the quasi-cyclic structures, close to furanose rings and common for both aldo- and ketohexoses. The orientational preferences of the aldehyde or ketone groups are correlated with the relative populations of anomers characteristic of cyclic aldo- and ketohexoses, respectively, thus indicating that basic features of anomeric equilibria are preserved even if hexose molecules are not in their cyclic forms. No analogous relationship is observed in the case of other structural characteristics, such as the preferences of acyclic molecules to form either the furanose-or pyranose-like structures or maintaining the chair-like geometry of pseudo-pyranose rings.
Masahito Shimizu
2012-01-01
Full Text Available One of the key features of hepatocellular carcinoma (HCC is the high rate of intrahepatic recurrence that correlates with poor prognosis. Therefore, in order to improve the clinical outcome for patients with HCC, development of a chemopreventive agent that can decrease or delay the incidence of recurrence is a critical issue for urgent investigation. Acyclic retinoid (ACR, a synthetic retinoid, successfully improves HCC patient survival by preventing recurrence and the formation of secondary tumors. A malfunction of the retinoid X receptor-α (RXRα due to phosphorylation by the Ras-MAPK signaling pathway plays a critical role in liver carcinogenesis, and ACR exerts chemopreventive effects on HCC development by inhibiting RXRα phosphorylation. Here, we review the relationship between retinoid signaling abnormalities and liver disease, the mechanisms of how RXRα phosphorylation contributes to liver carcinogenesis, and the detailed effects of ACR on preventing HCC development, especially based on the results of our basic and clinical research. We also outline the concept of "clonal deletion and inhibition" therapy, which is defined as the removal and inhibition of latent malignant clones from the liver before they expand into clinically detectable HCC, because ACR prevents the development of HCC by implementing this concept. Looking toward the future, we discuss "combination chemoprevention" using ACR as a key drug since it can generate a synergistic effect, and may thus be an effective new strategy for the prevention of HCC.
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.
Ruiz, Javier; García, Lucía; Vivanco, Marilín; Sol, Daniel; García-Granda, Santiago
2017-08-08
A variety of half-sandwich iron(ii) complexes with diprotic acyclic diaminocarbene ligands (pADCs) have been obtained by reaction of the cationic complexes [Fe(Cp)(CO)2(CNR)](+) and [Fe(Cp)(CO)(CNR)2](+) with methylamine, and their acid-base behaviour was studied, revealing an easy reversible deprotonation reaction of both N-H moieties of the carbene ligands. The deprotonation process is frequently followed by a nucleophilic attack of the nitrogen atom on a vicinal carbonyl or isocyanide ligand, affording the corresponding metallacycles. Metalation of one or two N-H groups of the pADC ligands can be accomplished by reaction of the carbene complexes with either [AuCl(PPh3)] or [Ru(p-cym)Cl2]2 in the presence of KOH or LiHMDS as deprotonating agents. A number of Fe(ii)/Au(i) and Fe(ii)/Ru(ii) heterometallic complexes have been prepared in this way, some of them formally containing unique metalla-N-heterocyclic carbene ligands.
Linclau, Bruno; Peron, Florent; Bogdan, Elena; Wells, Neil; Wang, Zhong; Compain, Guillaume; Fontenelle, Clement Q; Galland, Nicolas; LeQuestel, Jean-Yves; Graton, Jérôme
2015-01-01
Fluorination is commonly exercised in compound property optimization. However, the influence of fluorination on hydrogen-bond (HB) properties of adjacent functional groups, as well as the HB-accepting capacity of fluorine itself, is still not completely understood. Although the formation of OH⋅⋅⋅F intramolecular HBs (IMHBs) has been established for conformationally restricted fluorohydrins, such interaction in flexible compounds remained questionable. Herein is demonstrated for the first time—and in contrast to earlier reports—the occurrence of OH⋅⋅⋅F IMHBs in acyclic saturated γ-fluorohydrins, even for the parent 3-fluoropropan-1-ol. The relative stereochemistry is shown to have a crucial influence on the corresponding h1JOH⋅⋅⋅F values, as illustrated by syn- and anti-4-fluoropentan-2-ol (6.6 and 1.9Hz). The magnitude of OH⋅⋅⋅F IMHBs and their strong dependence on the overall molecular conformational profile, fluorination motif, and alkyl substitution level, is rationalized by quantum chemical calculations. For a given alkyl chain, the “rule of shielding” applies to OH⋅⋅⋅F IMHB energies. Surprisingly, the predicted OH⋅⋅⋅F IMHB energies are only moderately weaker than these of the corresponding OH⋅⋅⋅OMe. These results provide new insights of the impact of fluorination of aliphatic alcohols, with attractive perspectives for rational drug design. PMID:26494542
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
Sequential Optimization of Paths in Directed Graphs Relative to Different Cost Functions
Abubeker, Jewahir Ali
2011-05-14
This paper is devoted to the consideration of an algorithm for sequential optimization of paths in directed graphs relative to di_erent cost functions. The considered algorithm is based on an extension of dynamic programming which allows to represent the initial set of paths and the set of optimal paths after each application of optimization procedure in the form of a directed acyclic graph.
Vachiratienchai, Chatchai; Siripunvaraporn, Weerachai
2013-02-01
For efficient inversion code, the forward modeling routine, the sensitivity calculation, and the inversion algorithm must be efficient. Here, the hybrid finite difference-finite element algorithm, which is fast and accurate even when the slope of the topography is greater than 45°, is used as the forward modeling routine to calculate the responses. The sensitivity calculation is adapted from the most efficient adjoint Green's function technique. Both of these algorithms are then driven with the data space Occam's inversion. This combination of modules makes it possible to obtain an efficient inversion code based on MATLAB for two-dimensional direct current (DC) resistivity data. To demonstrate its efficiency, numerical experiments with our code and with commercial software are performed on synthetic data and real field data collected in the western part of Thailand where limestone and cavities dominate the region. In general, our code takes substantially longer than the commercial code to run but converges to a solution with a lower misfit. The result shows that the efficiency of our code makes it practical for real field surveys.
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.
Zhiqiang Guo
Full Text Available In this paper, we propose and implement a hybrid model combining two-directional two-dimensional principal component analysis ((2D2PCA 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, (2D2PCA is utilized to reduce the dimension of the data and extract its intrinsic features. Finally, an RBFNN accepts the data processed by (2D2PCA 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.
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.
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.
Zuo, Kesheng; Zhang, Haitao; Qin, Ke; Cui, Jianzhong; Chen, Qingzhang
2016-11-01
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.
Gan, Xiaorong; Zhao, Huimin; Chen, Shuo; Yu, Hongtao; Quan, Xie
2015-06-02
In the present work, three-dimensional porous HxTiS2 nanosheet-polyaniline (PANI) nanocomposites were first synthesized by a two-step method. First, HxTiS2 ultrathin nanosheets were prepared by the lithium intercalation and exfoliation method, followed by the surface polymerization reactions of aniline. The influences of the amount of HxTiS2 nanosheets on the nanocomposite morphology and electrochemical performances of the nanocomposites modified glass carbon electrode (HxTiS2 nanosheet-PANI/GCE) were investigated. The results demonstrated that the incorporation of HxTiS2 nanosheets as a suitable substrate can regulate the growth of PANI, enhance the electrode stability and improve interfacial electron transfer rates. In addition, based on the nanocomposites, we developed a novel electrochemical sensor to directly detect trace Cu(2+), and discovered that the coordination interaction between Cu(2+) cations and the N atoms of the imine moieties in PANI endowed the electrochemical sensor with high selectivity. Because of the synergetic effects of HxTiS2 nanosheets and PANI, the as-prepared electrochemical sensor exhibited highly sensitive and selective assaying of Cu(2+) with a detection limit of 0.7 nM (signal-to-noise ratio (S/N) equal to 3) and a linear range from 25 nM to 5 μM, under optimal conditions.
Durán-Peña, M J; Flores-Giubi, M E; Botubol-Ares, J M; Harwood, L M; Collado, I G; Macías-Sánchez, A J; Hernández-Galán, R
2016-03-01
The reaction of geraniol with different lithium carbenoids generated from n-BuLi and the corresponding dihaloalkane has been evaluated. The reaction occurs in a chemo and stereoselective manner, which is consistent with a directing effect from the oxygen of the allylic moiety. Furthermore, a set of polyenes containing allylic hydroxyl or ether groups were chemoselectively and stereoselectively converted into the corresponding gem-dimethylcyclopropanes in one single step in moderate to good yields mediated by a lithium carbenoid generated in situ by the reaction of n-BuLi and 2,2-dibromopropane.
Gillian V Kupakuwana
Full Text Available 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 (K(d = 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 (K(d = 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.
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.
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.
Speeding up reinforcement learning convergence with acyclic state trajectory%利用无环状态路径加速强化学习收敛
宋炯
2011-01-01
在强化学习过程中,Agent访问1个状态动作转换对只能更新1项值函数,使得学习收敛速度极慢。本文提出了一种利用无环状态路径来加速强化学习收敛速度的方法。通过获得训练情节中每个状态到达目标状态的无环状态路径,使得Agent可以沿最短无环路径逆序地传播当前更新的值函数,实现了Agent访问1个状态动作转换对可以更新1批值函数,从而加快学习收敛速度。从实验对比结果看,该方法可显著地加速学习收敛,缩短学习时间。%In reinforcement learning, only one item value function can be refined when Agent visits one state-action transition, which makes the convergence of learning being very slow. An approach is proposed to speed up reinforcement learning convergence by using acyclic state trajectory. By discovering the acyclic state trajectory of each state to the goal state form training episodes, the value function Agent currently refined can be propagated back along the shortest acyclic state trajectory, which makes a batch of value functions can be refined when Agent visits one state-action transition. So the convergence of reinforcement learning is sped up. From the comparisons of experiment, this approach can significantly speed up learning convergence and shorten learning time.
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.
Kim, Kyung Ah; Herigault, Gwenael; Kim, Myeong-Jin; Chung, Young Eun; Hong, Hye-Suk; Choi, Sun Young
2011-01-01
To compare the image quality of two variants of a three-dimensional (3D) gradient echo sequence (GRE) for hepatic MRI. Thirty-nine patients underwent hepatic MRI on a 3.0 Tesla (T) magnet (Intera Achieva; Philips Medical Systems). The clinical protocol included two variants of a 3D GRE with fat suppression: (i) a "centric" approach, with elliptical centric k-space ordering and (ii) an "enhanced" approach using linear sampling and partial Fourier in both the slice and phase encoding direction. "Centric" and "Enhanced" 3D GRE images were obtained both precontrast (n = 32) and after gadoxetic acid injection (n = 39). Two reviewers jointly reviewed MR images for anatomic sharpness, overall contrast, homogeneity, and absence of artifacts. The liver-to-lesion signal difference ratio (SDR) was measured. Paired sample Wilcoxon test and paired t-tests were used. Enhanced 3D GRE images performed better than centric 3D GRE images with respect to anatomic sharpness (P = 0.0156), overall contrast (P = 0.0195), homogeneity (P < 0.0001), and absence of artifacts (P = 0.0003) on precontrast images. For postcontrast MRI, enhanced 3D GRE images showed better quality in terms of overall contrast (P = 0.0195), homogeneity (P < 0.0001), and absence of artifacts (P = 0.009). Liver-to-lesion SDR on enhanced 3D GRE images (0.48 ± 0.13) was significantly higher than that of conventional 3D GRE images (0.40 ± 0.19, P = 0.0004) on postcontrast images, but not on precontrast images. The enhanced 3D GRE sequence available on our scanner provided better hepatic image quality than the centric variant, without compromising lesion contrast. Copyright © 2010 Wiley-Liss, Inc.
Design of two-dimensional ultrasonic wave wind speed and wind direction sensor%二维超声波风速风向传感器设计
张东明; 曹晓钟; 马尚昌
2015-01-01
Wind speed is an important factor meteorological forecast,accurate forecasting of wind speed,has certain influence on people’s production and living. Two-dimensional ultrasonic wind speed sensor is one of the most important way of wind speed measurement in meteorology and industry,on the basis of traditional ultrasonic wave anemometer,accurately adjust by measuring temperature and humidity of air,compensate influence of environmental factors such as rain and fog,design a 200 kHz ultrasonic anemometer all-weather based on STM32 processor,it is proved through experiment that the device can realize accurate wind speed and wind direction measurement,all-weather measurement error is small.%风是气象预报中的一个重要的要素，准确地预报风速，对人们的生产生活都有一定的影响。二维超声风传感器是气象与工业中最重要的风速测量方式之一，在传统的超声波测风仪器的基础上，通过测量空气温湿度来进行准确的调节，补偿了雨雾等环境因素的影响，设计一种基于STM32处理器的200 kHz全天候超声测风仪，通过实验证明：该装置可以实现全天候精确测量风速风向，测量误差小。
Doménech, Antonio; Navarro, Pilar; Arán, Vicente J; Muro, Beatriz; Montoya, Noemí; García-España, Enrique
2010-06-01
Electrochemical discrimination between dopamine and psychotropic drugs which have in common a skeletal structure of phenethylamine, can be obtained using acyclic receptors L(1) and L(2), containing two terminal 3-alkoxy-5-nitroindazole rings. Upon attachment to graphite electrodes, L(1) and L(2) exhibit a well-defined, essentially reversible solid state electrochemistry in contact with aqueous media, based on electrolyte-assisted reduction processes involving successive cation and anion insertion/binding. As a result, a distinctive, essentially Nernstian electrochemical response is obtained for phenethylammonium ions of methamphetamine (METH), p-methoxyamphetamine (PMA), amphetamine (AMPH), mescaline (MES), homoveratrylamine (HOM), phenethylamine (PEA) and dopamine (DA) in aqueous media.
Al-Masoudi, Najim A; Al-Soud, Yaseen A
2008-09-01
A new series of acyclic C-nucleosides 1',2'-O-isopropylidene-D-ribo-tetritol-1-yl)[1,2,4] triazolo[3,4-b][1,3,4]thiadiazoles bearing arylsulfonamide (5-8) and arylcarboxamide (9-12) residues have been synthesized under microwave irradiation. Thiadiazines 13-15 have been analogously prepared, and upon acid hydrolysis, afforded the free nucleosides 16-18. The new synthesized compounds were assayed against HIV-1 and HIV-2 in MT-4 cells. Compound 7 was also screened against a panel of tumor cell lines consisting of CD4 human T-cells.
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
2015-08-16
SUPPLEMENTARY NOTES 14. ABSTRACT The recent discovery of a two-dimensional electron gas (2DEG) at the interface between insulating perovskite ...3/10/2015 Abstract The recent discovery of a two-dimensional electron gas (2DEG) at the interface between insulating perovskite oxides SrTiO3...associated charge distributions in semiconductor materials, and therefore regarded as the only tool that can completely visualize the spatial
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.
Morfeld, Kari A; Brown, Janine L
2016-04-01
The purpose of the present study was to determine whether excessive body fat and altered metabolic hormone concentrations in the circulation were associated with ovarian acyclicity in the world's largest land mammal, the African elephant. We compared body condition, glucose, insulin and leptin concentrations and the glucose-to-insulin ratio (G:I) between cycling (n=23; normal 14-16 week cycles based on serum progestagens for at least 2 years) and non-cycling (n=23; consistent baseline progestagen concentrations for at least 2 years) females. A validated body condition score (BCS) index (five-point scale; 1=thinnest, 5=fattest) was used to assess the degree of fatness of the study elephants. The mean BCS of non-cycling elephants was higher than that of their cycling counterparts. There were differences in concentrations of serum metabolic biomarkers, with non-cycling elephants in the BCS 5 category having higher leptin and insulin concentrations and a lower G:I ratio than cycling BCS 5 females. Using 'non-cycling' as the outcome variable in regression models, high BCS was a strong predictor of a non-cycling status. This study provides the first evidence that ovarian acyclicity in zoo African elephants is associated with body condition indicative of obesity, as well as elevated, perturbed biomarkers of metabolic status.
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.
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…
Thieme, S; Ryser, Martin; Gentsch, Marcus
2009-01-01
Three-dimensional (3D) bone substitute material should not only serve as scaffold in large bone defects but also attract mesenchymal stem cells, a subset of bone marrow stromal cells (BMSCs) that are able to form new bone tissue. An additional crucial step is to attract BMSCs from the surface int...
Jakobsen, Bo; Lienert, U.; Almer, J.;
2008-01-01
The X-ray diffraction (XRD) method "high angular resolution 3DXRD" is briefly introduced, and results are presented for a single bulk grain in a polycrystalline copper sample deformed in tension. It is found that the three-dimensional reciprocal-space intensity distribution of a 400 reflection...
On the existence of shortest directed networks
Swanepoel, Konrad J
2008-01-01
A directed network connecting a set A to a set B is a digraph containing an a-b path for each a in A and b in B. Vertices in the directed network not in A or B are called Steiner points. We show that in a finitely compact metric space in which geodesics exist, any two finite sets A and B are connected by a shortest directed network. We also bound the number of Steiner points by a function of the sizes of A and B. Previously, such an existence result was known only for the Euclidean plane [M. Alfaro, Pacific J. Math. 167 (1995) 201-214]. The main difficulty is that, unlike the undirected case (Steiner minimal trees), the underlying graphs need not be acyclic. Existence in the undirected case was first shown by E. J. Cockayne [Canad. Math. Bull. 10 (1967) 431-450].
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.
Ayyakkannu Purushothaman
2017-06-01
Full Text Available Objectives: Semecarpus anacardium Linn. is a plant well-known for its antimicrobial, antidiabetic and anti-arthritic properties in the Ayurvedic and Siddha system of medicine. This has prompted the screening of this plant for antibacterial activity. The main aims of this study were to isolate compounds from the plant’s seeds and to evaluate their antibacterial effects on clinical bacterial test strains. Methods: The n-butanolic concentrate of the seed extract was subjected to thin layer chromatography (TLC and repeated silica gel column chromatography followed by elution with various solvents. The compound was identified based on observed spectral (IR, 1H NMR, 13C NMR and high-resolution mass spectrometry data. The well diffusion method was employed to evaluate the antibacterial activities of the isolated acyclic isoprenoid compound (final concentration: 5 - 15 μg/mL on four test bacterial strains, namely, Staphylococcus aureus (MTCC 96, Bacillus cereus
Santella, Joseph B; Gardner, Daniel S; Yao, Wenqing; Shi, Chongsheng; Reddy, Prabhakar; Tebben, Andrew J; DeLucca, George V; Wacker, Dean A; Watson, Paul S; Welch, Patricia K; Wadman, Eric A; Davies, Paul; Solomon, Kimberly A; Graden, Dani M; Yeleswaram, Swamy; Mandlekar, Sandhya; Kariv, Ilona; Decicco, Carl P; Ko, Soo S; Carter, Percy H; Duncia, John V
2008-01-15
Conformational analysis of trans-1,2-disubstituted cyclohexane CCR3 antagonist 2 revealed that the cyclohexane linker could be replaced by an acyclic syn-alpha-methyl-beta-hydroxypropyl linker. Synthesis and biological evaluation of mono- and disubstituted propyl linkers support this conformational correlation. It was also found that the alpha-methyl group to the urea lowered protein binding and that the beta-hydroxyl group lowered affinity for CYP2D6. Ab initio calculations show that the alpha-methyl group governs the spatial orientation of three key functionalities within the molecule. alpha-Methyl-beta-hydroxypropyl urea 31 with a chemotaxis IC(50)=38 pM for eosinophils was chosen to enter clinical development for the treatment of asthma.
Keshavarz, Mohammad Hossein; Saatluo, Bahman Ebrahimi; Hassanzadeh, Ali
2011-01-30
A new method is presented for estimating the gross and net heats of combustion of important classes of energetic compounds including polynitro arene, polynitro heteroarene, acyclic and cyclic nitramine, nitrate ester and nitroaliphatic compounds. Elemental compositions as well as the presence of some specific polar groups and molecular fragments are important parameters in the new model. The novel method can be easily used for any complex organic compounds with at least one nitro, nitramine or nitrate functional groups by which the predictions of their heats of combustion by the available methods are inaccurate or difficult. The predicted results show that this method gives reliable predictions of heats of combustion with respect to group additivity method and computed values based on atom-type electrotopological state indices for several energetic compounds where the models can be applied.
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.
Dörrich, Steffen; Mahler, Christoph; Tacke, Reinhold; Kraft, Philip
2014-11-01
5-Methyl-4-methylidene-6-(trimethylsilyl)hexanal (1b), a sila analog of the acyclic lily-of-the-valley odorant 5,7,7-trimethyl-4-methylideneoctanal (1a), and the Si-containing derivatives 2-6 were prepared in multistep syntheses, starting from Cl3 SiH and Cl2 SiMe2 , respectively. Compounds 1b, 2-6, and their new precursors were characterized by elemental analyses (C, H, N) and NMR spectroscopic studies ((1) H, (13) C, (15) N, and (29) Si). To gain more information about the structureodor correlation in the family of lily-of-the-valley or 'muguet' odorants, C/Si analogs 1a/1b and derivatives 2-6 were evaluated for their olfactory properties.
Kiwamoto, R., E-mail: reiko.kiwamoto@wur.nl; 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.
XIONG Jian-Wen; HU Liang-Bin; ZHANG Zhen-Xi
2006-01-01
@@ Based on the Heisenberg equations of motion for the electron orbital and spin degrees of freedom in two-dimensional electronic systems with both Rashba and Dresselhaus spin-orbit couplings, we show that an ac electric field can cause an ac spin Hall current in such a system. In contrast to some previous theoretical prediction, the spin Hall current will be suppressed completely in the dc limit. We argue that the suppression of dc spin Hall currents in such a system is actually a much natural result of the dynamic spin evolution due to the combined action of a dc external electric field and the intrinsic spin-orbit coupling.
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”.
Ogawa, H.; Matsui, Y.; Kimura, S. [Nissan Motor Co. Ltd. Tokyo (Japan)
1997-10-01
To reduce the exhaust emissions and fuel consumption of direct-injection diesel engines, it is essential to optimize the fuel injection equipment closely related to combustion and emission characteristics. In this study, three-dimensional computation has been applied to investigate the effects of the injection nozzle specifications (e.g., sac volume, round shape at the inlet of the nozzle hole) and needle tip deviation on internal flow characteristics. The computational results revealed that the effects of the nozzle specifications and needle tip deviation with a smaller needle lift on internal flow characteristics and a general approach to optimize the injection nozzle specifications were obtained. 3 refs., 10 figs., 1 tab.
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. © 2011 International Union of Crystallography
Xie, Jingsi; Feng, Xiumei; Hu, Jianqiang; Chen, Xiaohua; Li, Aiqing
2010-01-15
A novel general methodology for protein immobilization and third-generation biosensor construction is demonstrated, which involves Al(3+)-directed polyacrylamide (PAM) self-assembly into an ordered dendriform structure, easily immobilizing enzymes and nanoparticles. Platinum/single-walled carbon nanotube (Pt/SWCNT) heterojunction nanomaterials were for the first time fabricated via an EDTA-directed synthesis strategy. The Pt/SWCNTs were employed as a supporting matrix to explore a novel immobilization and biosensing platform of redox proteins through cooperating Al(3+)-directed PAM self-assembly. Compared with the almost single-layer horseradish peroxidase (HRP)/PAM film electrode, multilayer HRP/PAM/Pt/SWCNT film electrode exhibited a pair of much stronger redox peaks at -0.22 V (vs. Ag/AgCl). Moreover, with advantages of the ordered multilayer HRP/PAM/Pt/SWCNT film, facilitated direct electron transfer of the metalloenzymes with an apparent heterogeneous electron transfer rate constant (k(s)) of 14.94+/-1.36 s(-1) and smaller peak-to-peak separation (DeltaE(p)) of about 37 mV was acquired on the PAM/Pt/SWCNT-based enzyme electrode. The PAM/Pt/SWCNT-based biosensor demonstrated significant electrocatalytic activity for the reduction of hydrogen peroxide with a small apparent Michaelis-Menten constant (87 microM), wide linear range (1-270 microM), very low detection limit (0.08 microM, S/N=3), and high sensitivity (372 mA cm(-2) M(-1)). Together, these indicated that the Al(3+)-directed HRP/PAM/Pt/SWCNT film was one of ideal candidate materials for direct electrochemistry of redox proteins and the construction of the related enzyme biosensors, and may find potential applications in biomedical, food, and environmental analysis and detection.
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.
Rapport med bidrag fra symposiet Nye Dimensioner 24.-26. nov. 2011 samt nye selvstændige bidrag......Rapport med bidrag fra symposiet Nye Dimensioner 24.-26. nov. 2011 samt nye selvstændige bidrag...
Thieme, S; Ryser, Martin; Gentsch, Marcus
2009-01-01
into deeper structures of 3D porous bone substitute scaffolds. Here we show that transient overexpression of CXCR4 in human BMSCs induced by mRNA transfection enhances stromal cell-derived factor-1alpha (SDF-1alpha)-directed chemotactic capacity to invade internal compartments of porous 3D bone substitute...... scaffolds in vitro and in vivo. In vitro native BMCSs invaded up to 500 mum into SDF-1alpha-releasing 3D scaffolds, whereas CXCR4-overexpressing BMSCs invaded up to 800 mum within 5 days. In addition, 60% downregulation of endogenous SDF-1 transcription in BMSCs by endoribonuclease-prepared siRNA before...... CXCR4 mRNA transfection enhanced SDF-1alpha-directed migration of human BMSCs by 50%. Implantation of SDF-1alpha-releasing scaffolds seeded with transiently CXCR4-overexpressing BMSCs resulted in an increase of invasion into internal compartments of the scaffolds in a mouse model. In vivo native BMCS...
Putapatri, Siddamal Reddy; Kanwal, Abhinav; Banerjee, Sanjay K; Kantevari, Srinivas
2014-03-15
Sodium-glucose co-transporter (SGLT) inhibitors are a novel class of therapeutic agents for the treatment of type 2 diabetes by preventing renal glucose reabsorption. In our efforts to identify novel inhibitors of SGLT, we synthesized a series of l-rhamnose derived acyclic C-nucleosides with 1,2,3-triazole core. The key β-ketoester building block 4 prepared from l-rhamnose in five steps, was reacted with various aryl azides to produce the respective 1,2,3-triazole derivatives in excellent yields. Deprotection of acetonide group gave the desired acyclic C-nucleosides 7a-o. All the new compounds were screened for their sodium-glucose co-transporters (SGLT1 and SGLT2) inhibition activity using recently developed cell-based nonradioactive fluorescence glucose uptake assay. Among them, 7m with IC50: 125.9nM emerged as the most potent SGLT2 inhibitor. On the other hand compound 7d exhibited best selectivity for inhibition of SGLT2 (IC50: 149.1nM) over SGLT1 (IC50: 693.2nM). The results presented here demonstrated the utility of acyclic C-nucleosides as novel SGLT inhibitors for future investigations.
Hazra, Saugata; Konrad, Manfred; Lavie, Arnon
2010-01-01
The low toxicity of acyclovir (ACV) is mainly due to the fact that human nucleoside kinases have undetectable phosphorylation rates with this acyclic guanine analog. In contrast, herpes virus thymidine kinase (HSV1-TK) readily activates ACV. We wanted to understand why human deoxycytidine kinase (dCK), which is related to HSV1-TK and phosphorylates deoxyguanosine, does not accept acyclic guanine analogs as substrates. Therefore, we crystallized dCK in complex with ACV at the nucleoside phosphoryl acceptor site, and UDP at the phosphoryl donor site. The structure reveals that while ACV does bind at the dCK active site, it does so adopting a non-productive conformation. Despite binding ACV, the enzyme remains in the open, inactive state. In comparison to ACV binding to HSV1-TK, in dCK the nucleoside base adopts a different orientation related by about a 60 degree rotation. Our analysis suggests that dCK would phosphorylate acyclic guanine analogs if they can induce a similar rotation. PMID:20684612
d'Avila, Maria Paola Santisi
2016-01-01
In this paper, a model of one-directional propagation of three-component seismic waves in a nonlinear multilayered soil profile is coupled with a multi-story multi-span frame model to consider, in a simple way, the soil-structure interaction modelled in a finite element scheme. Modeling the three-component wave propagation enables the effects of a soil multiaxial stress state to be taken into account. These reduce soil strength and increase nonlinear effects, compared with the axial stress state. The simultaneous propagation of three components allows the prediction of the incident direction of seismic loading at the ground surface and the analysis of the behavior of a frame structure shaken by a three-component earthquake. A parametric study is carried out to characterize the changes in the ground motion due to dynamic features of the structure, for different incident wavefield properties and soil nonlinear effects. A seismic response depending on parameters such as the frequency content of soil and structur...
Kim, E-K; Ha, S-G; Lee, J; Park, Y B; Jung, K-Y
2015-01-26
Efficient unconditionally stable FDTD method is developed for the electromagnetic analysis of dispersive media. Toward this purpose, a quadratic complex rational function (QCRF) dispersion model is applied to the alternating-direction-implicit finite-difference time-domain (ADI-FDTD) method. The 3-D update equations of QCRF-ADI-FDTD are derived using Maxwell's curl equations and the constitutive relation. The periodic boundary condition of QCRF-ADI-FDTD is discussed in detail. A 3-D numerical example shows that the time-step size can be increased by the proposed QCRF-ADI-FDTD beyond the Courant-Friedrich-Levy (CFL) number, without numerical instability. It is observed that, for refined computational cells, the computational time of QCRF-ADI-FDTD is reduced to 28.08 % of QCRF-FDTD, while the L2 relative error norm of a field distribution is 6.92 %.
Britton, Paul; Loughran, Jeff
This paper outlines a computational procedure that has been implemented for the direct measurement of finite material strains from digital images taken of a material surface during plane-strain process experiments. The selection of both hardware and software components of the image processing system is presented, and the numerical procedures developed for measuring the 2D material deformations are described. The algorithms are presented with respect to two-roll milling of sugar cane bagasse, a complex fibro-porous material that undergoes large strains during processing to extract the sucrose-rich liquid. Elaborations are made in regard to numerical developments for other forms of experimentation, algorithm calibrations and measurement improvements. Finite 2D strain results are shown for both confined uniaxial compression and two-roll milling experiments.
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.
Dong, Wen-Kui; Zheng, Shan-Shan; Zhang, Jin-Tong; Zhang, Yang; Sun, Yin-Xia
2017-09-01
Heterotrinuclear 3d-4f complexes with a naphthalenediol-based acyclic bis(salamo)-type ligand have been synthesized and structurally characterized. Spectral titrations clearly show that the heterotrinuclear complexes [Zn2(L)La(OAc)3] (1), [Zn2(L)Ce(OAc)3] (2) and [Zn2(L)Dy(OAc)3(CH3OH)]·CH2Cl2 (3) are acquired by the substitution reaction of the obtained homotrinuclear Zn(II) complex with 1 equiv. of Ln(NO3)3 (Ln3 + = La3 +, Ce3 + and Dy3 +). Two Zn(II) ions are penta- and hexa-coordinated with geometries of distorted tetragonal pyramid and octahedron. La(III) ion is deca-coordinated, adopting a distorted bicapped square antiprism geometry. Ce(III) ion is nona-coordinated with geometry of distorted capped square antiprism as well as Dy(III) ion. The different coordination modes of acetate ions in complexes 1, 2 and 3 lead to different coordination numbers of the lanthanide(III) ions. Furthermore, the structures and fluorescence properties have been discussed.
Daniel Lachmann
2010-02-01
Full Text Available The Nile Blue chromophore was incorporated into oligonucleotides using “click” chemistry for the postsynthetic modification of oligonucleotides. These were synthesized using DNA building block 3 bearing an alkyne group and reacted with the azide 4. (R-3-amino-1,2-propanediol was applied as the linker between the phosphodiester bridges. Two sets of DNA duplexes were prepared. One set carried the chromophore in an A-T environment, the second set in a G-C environment. Both were characterized by optical spectroscopy. Sequence-dependent fluorescence quenching was applied as a sensitive tool to compare the stacking interactions with respect to the chirality of the acyclic linker attachment. The results were compared to recent results from duplexes that carried the Nile Blue label in a sequentially and structurally identical context, except for the opposite chirality of the linker ((S-3-amino-1,2-propandiol. Only minor, negligible differences were observed. Melting temperatures, UV–vis absorption spectra together with fluorescence quenching data indicate that Nile Blue stacks perfectly between the adjacent base pairs regardless of whether it has been attached via an S- or R-configured linker. This result was supported by geometrically optimized DNA models.
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.
Andrei, G; Topalis, D; De Schutter, T; Snoeck, R
2015-02-01
Acyclic nucleoside phosphonates (ANPs) are well-known for their antiviral properties, three of them being approved for the treatment of human immunodeficiency virus infection (tenofovir), chronic hepatitis B (tenofovir and adefovir) or human cytomegalovirus retinitis (cidofovir). In addition, cidofovir is mostly used off-label for the treatment of infections caused by several DNA viruses other than cytomegalovirus, including papilloma- and polyomaviruses, which do not encode their own DNA polymerases. There is considerable interest in understanding why cidofovir is effective against these small DNA tumor viruses. Considering that papilloma- and polyomaviruses cause diseases associated either with productive infection (characterized by high production of infectious virus) or transformation (where only a limited number of viral proteins are expressed without synthesis of viral particles), it can be envisaged that cidofovir may act as antiviral and/or antiproliferative agent. The aim of this review is to discuss the advances in recent years in understanding the mode of action of ANPs as antiproliferative agents, given the fact that current data suggest that their use can be extended to the treatment of non-viral related malignancies.
Abou-Hussein, A A; Linert, Wolfgang
2015-04-15
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, (1)H-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, (1)H-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.
Approximation Algorithms for Directed Width Parameters
Kintali, Shiva; Kumar, Akash
2011-01-01
Treewidth of an undirected graph measures how close the graph is to being a tree. Several problems that are NP-hard on general graphs are solvable in polynomial time on graphs with bounded treewidth. Motivated by the success of treewidth, several directed analogues of treewidth have been introduced to measure the similarity of a directed graph to a directed acyclic graph (DAG). Directed treewidth, D-width, DAG-width, Kelly-width and directed pathwidth are some such parameters. In this paper, we present the first approximation algorithms for all these five directed width parameters. For directed treewidth and D-width we achieve an approximation factor of O(sqrt{logn}). For DAG-width, Kelly-width and directed pathwidth we achieve an O({\\log}^{3/2}{n}) approximation factor. Our algorithms are constructive, i.e., they construct the decompositions associated with these parameters. The width of these decompositions are within the above mentioned factor of the corresponding optimal width.
黄志川; 吴蒙
2016-01-01
针对无线通信系统物理层安全，提出一种基于多目标优化的相控天线阵三维方向调制技术。研究了基于相控阵的二维方向调制技术，在此基础上，引入俯仰角构建三维方向调制技术，并采用多目标优化的遗传算法，通过第二目标函数将非期望俯仰角上的星座图畸变最大化，保证合法接收者垂直方向上的信息传输安全，同时克服单目标遗传算法产生的调制信号对俯仰角的不敏感性。对算法进行仿真性能分析，并给出了物理层安全中潜在的研究方向。%Aiming at the physical layer security of wireless communication system,a new method of 3D directional modulation technology based on multi-objective optimization is proposed. The two-dimensional direction modulation technology is studied based on phased ar-ray,and on this basis,the pitch angle is introduced to construct the three-dimensional direction modulation technique. The genetic algo-rithm for multi-objective optimization is adopted,and the second objective function is used to maximize the constellation distortion and guarantee the safety of information transmission receiver in a vertical direction,at the same time,overcoming the insensitivity of single ob-jective genetic algorithm to generate a modulated signal of angle of pitch. The simulation performance of the algorithm is analyzed,and the potential research direction of physical layer security is given.
丁勇; 谢兴军; 曾耿华
2012-01-01
针对电子战中敌方雷达的快速定位,设计了一种基于三基线干涉仪的二维瞬时测向系统,解决了在宽频带范围内保证测向视角和精度的难题.给出了系统的工作原理、电路结构以及软件算法,并重点介绍了信号处理组件的设计等关键技术.试验结果表明,该测向系统在X波段全频带内的测向视角达到了±60°,测角精度优于1°.%The two—dimensional instantaneous direction finding system based on three—baseline interferometer technology is designed for locating enemy radar in electronic warfar. The problem of meeting direction finding system ' s angle range and precision in wide wave band is solved. The system' s working principle, circuit structure, as well as sofeware arithmetic are discussed. Some key technique, for example, the design of signal processing unit is introduced especially. The test result indicate that the direction finding system's angle range has reached ±60°, its precision is better than 1 ° in X band.
Akimov Pavel Alekseevich
2012-10-01
Full Text Available The proposed paper covers the operator-related formulation of the eigenvalue problem of analysis of a three-dimensional structure that has piecewise-constant physical and geometrical parameters alongside the so-called basic direction within the framework of a discrete-continual approach (a discrete-continual finite element method, a discrete-continual variation method. Generally, discrete-continual formulations represent contemporary mathematical models that become available for computer implementation. They make it possible for a researcher to consider the boundary effects whenever particular components of the solution represent rapidly varying functions. Another feature of discrete-continual methods is the absence of any limitations imposed on lengths of structures. The three-dimensional problem of elasticity is used as the design model of a structure. In accordance with the so-called method of extended domain, the domain in question is embordered by an extended one of an arbitrary shape. At the stage of numerical implementation, relative key features of discrete-continual methods include convenient mathematical formulas, effective computational patterns and algorithms, simple data processing, etc. The authors present their formulation of the problem in question for an isotropic medium with allowance for supports restrained by elastic elements while standard boundary conditions are also taken into consideration.
Direct Write Assembly of Three-dimensional PZT Woodpile Structure%三维PZT木堆结构的直写成型
蔡坤鹏; 孙竞博; 李勃; 周济
2011-01-01
配制了一种水基锆钛酸铅(PZT)陶瓷浆料,通过直写无模成型的方法制备了直径为微米级的压电木堆结构.流变学测量表明,浆料属于剪切变稀型流体;微观形貌观察和密度测量表明,烧结后的样品已经成瓷,且具有较高的致密度;X射线衍射(XRD)的测试结果表明,烧结后的样品具有三方PbZr0.58Ti0.42O3相;压电常数测试结果显示该结构有较好压电性,且压电常数d33为410pC/N.无模成型技术具有结构可设计性强,成型速度快,成型精度高等优点,为压电材料和器件的设计和应用提供了新的思路.%A novel kind of water based lead zirconate titanate (PZT) ink was developed. Woodpile structures with diameter of micrometer scale were constructed from this ink by using direct write assembly technique. According to the rheological test, the ink shows shear-thinning behavior. Micro-morphology and density test results show that the sintered samples have formed ceramics with high relative density. Measurement of X-ray diffraction (XRD) shows that the main phase of sintered samples is rhombohedral PbZr0.58Ti0.42O3. The value of piezoelectric constant d33 is measured to be 410 pC/N, which shows that the sintered samples exhibit good piezoelectric property. The direct write assembly technique has merits of good designability, rapid forming capability and high precision prototyping, which provide new ideas and methods for the design and application of piezoelectric materials and devices.
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.
Constructing higher dimensional local fields
Morrow, Matthew
2012-01-01
This note is a gentle introduction to higher dimensional local fields, with the motivating problem being the standard geometric "localisation-completion" process by which they can be constructed. A direct proof of the behaviour of this construction, which is the simplest part of the theory of higher dimensional adeles, will hopefully be useful to both specialists and newcomers.
Ganapati, Shweta; Zavalij, Peter Y; Eikermann, Matthias; Isaacs, Lyle
2016-01-28
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.
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.
Ballesteros-Gómez, Ana; de Boer, Jacob; Leonards, Pim E G
2013-10-15
In this study, we assess the applicability of different analytical techniques, namely, direct probe (DP), gas chromatography (GC), and comprehensive two-dimensional gas chromatography (GC × GC) coupled to atmospheric pressure chemical ionization (APCI) with a high resolution (HR)-time-of-flight (TOF)-mass spectrometry (MS) for the analysis of flame retardants and plasticizers in electronic waste and car interiors. APCI-HRTOFMS is a combination scarcely exploited yet with GC or with a direct probe for screening purposes and to the best of our knowledge, never with GC × GC to provide comprehensive information. Because of the increasing number of flame retardants and questions about their environmental fate, there is a need for the development of wider target and untargeted screening techniques to assess human exposure to these compounds. With the use of the APCI source, we took the advantage of using a soft ionization technique that provides mainly molecular ions, in addition to the accuracy of HRMS for identification. The direct probe provided a very easy and inexpensive method for the identification of flame retardants without any sample preparation. This technique seems extremely useful for the screening of solid materials such as electrical devices, electronics and other waste. GC-APCI-HRTOF-MS appeared to be more sensitive compared to liquid chromatography (LC)-APCI/atmospheric pressure photoionization (APPI)-HRTOF-MS for a wider range of flame retardants with absolute detection limits in the range of 0.5-25 pg. A variety of tri- to decabromodiphenyl ethers, phosphorus flame retardants and new flame retardants were found in the samples at levels from microgram per gram to milligram per gram levels.
侯敏; 柳春明; 张海钟; 梁立民; 高全文
2009-01-01
目的 探讨颅面复合体在不同方向的中位前牵引作用下的生物力学变化.方法 采用三维有限元法测量以梨状孔底骨性承力,不同方向中位前牵引的生物力学变化.结果 随牵拉的角度增大,各观察点的矢向位移逐渐减小.垂直向移位由向上逐渐转为向下,前下20°～30°牵引可整体前移上颌,且各骨缝区应力一致,可避免上颌骨的逆时针旋转.结论 以梨状孔底承力骨性前牵引,牵引方向为前下20°～30°时,可有效地前移上颌复合体.%Objective To investigate the biomechanical changes with different directions distraction at midface. Methods An anteriorly directed 500 g force was applied to the floor of apertura piriforms in different directions to the occlusal plane. Three-dimensional finite element analysis was used to evaluate the biomechanical change of craniofacial complex. Results As the force direction was moved downward, the sagittal distraction length of the craniofacial complex decreased and vertical movement changed from upward to downward. The craniofacial complex was moved anteriorly when the downward force was applied about 20～30 degrees to the occlnsal plane. The forces could generate the uniform stress distribution in the craniofacial sutures and avoid counterclockwise rotation of the maxilla. Conclusions The craniofacial complex can be effectively distracted anteriorly when the downward force is applied to the floor of aperture piriforms in direction of 20～30 degrees to the occlusal plane.
Kvaskoff, David; Vosswinkel, Michael; Wentrup, Curt
2011-04-13
This work was undertaken with the aim to obtain direct evidence for the interrelationships between hetarylnitrenes, their ring-expanded cyclic carbodiimide isomers, and ring-opened nitrile ylides. Tetrazolo[1,5-a]quinoxaline 11T and tetrazolo[5.1-c]quinazoline 13T undergo valence tautomerization to the corresponding azides 11A and 13A on mild flash vacuum thermolysis (FVT). Photolysis in Ar matrixes at ca. 15 K affords the triplet nitrenes 12 and 14, identified by ESR, UV, and IR spectroscopy. The nitrenes are converted photochemically to the seven-membered ring carbodiimide 15 followed by the open-chain carbodiimide 22. The 3-methoxy- and 3-chloro-2-quinoxalinylnitrenes 24 yield the ring-expanded carbodiimides 26 very cleanly on matrix photolysis, whereas FVT affords N-cyanobenzimidazoles 28. The ring-opened nitrile ylides 36 and 49 are identified as intermediates in the photolyses of 2-phenyl-4-quinazolinylnitrene 32 and 7-nitro-2-phenyl-4- quinazolinylnitrene 47. In these systems, a photochemically reversible interconversion of the seven-membered ring carbodiimides 35 and 48 and the nitrile ylides 36 and 49 is established. Recyclization of open-chain nitrile ylides is identified as an important mechanism of formation of ring contraction products (N-cyanobenzimidazoles). © 2011 American Chemical Society
Palistrant, M. E., E-mail: mepalistrant@yandex.com; Ursu, V. A. [Academy of Sciences of Moldova, Institute of Applied Physics (Moldova, Republic of)
2013-04-15
A theory of thermodynamic properties of a spin density wave (SDW) in a quasi-two-dimensional system (with a preset impurity concentration x) is constructed. We choose an anisotropic dispersion relation for the electron energy and assume that external magnetic field H has an arbitrary direction relative to magnetic moment M{sub Q}. The system of equations defining order parameters M{sub Q}{sup z}, M{sub Q}{sup {sigma}}, M{sub z}, and M{sup {sigma}} is constructed and transformed with allowance for the Umklapp processes. Special cases when H Double-Vertical-Line M{sub Q} and H Up-Tack M{sub Q} (H{sub Z}H{sup {sigma}} = 0) are considered in detail as well as cases of weak fields H of arbitrary direction. The condition for the transition of the system to the commensurate and incommensurate states of the SDW is analyzed. The concentration dependence of magnetic transition temperature T{sub M} is calculated, and the components of the order parameter for the incommensurate phase are determined. The phase diagram (T,{approx}x) is constructed. The effect of the magnetic field on magnetic transition temperature T{sub M} is analyzed for H{sub Z}H{sup {sigma}} = 0, and longitudinal magnetic susceptibility {chi} Double-Vertical-Line is calculated; this quantity demonstrates the temperature dependence corresponding to a system with a gap for x < x{sub c} and to a gapless state for x > x{sub c}. In the immediate vicinity of the critical impurity concentration (x {approx} x{sub c}), the temperature dependence of the magnetic susceptibility acquires a local maximum. The effect of anisotropy of the electron energy spectrum on the investigated physical quantities is also analyzed.
安太成; 何春; 朱锡海; 顾浩飞; 陈卫国; 熊亚
2001-01-01
Present st udy was to report electrically assisted photocatalyticdegradation of direct sky blue aqueous solution by three-phase three-dimensional electrodes. By illumin ating with 500 W high pressure mercury lamp and initiating with 30 voltage direc t current, a decolorization ratio of higher than 96.8% and COD concentration redu ction of about 66.7% were observed during a period of 30 min in the presence of both photocatalyst and filler electrodes. Compared with these values, the lower decol orization ratios and COD removal obtained by a single application of photochem ical (77.3% and 50.6%) and electrochemical process (88.6% and 62.3%), respective ly. Variety of operating conditions, such as conductivity, cell voltage, pH valu e , initial concentration of substrate, air-flow and concentration of photocataly st， was discussed in detail to ascertain their respective effect on the treatme nt e fficiency. The reaction mechanism also was discussed in the system of electrical ly assisted photocatalytic degradation with three-dimensional electrodes.%以500W高压汞灯为光源，在TiO2光催化剂和电催化剂同时存在下，联合多相三维电极技术与光催化技术，对直接湖蓝5B水溶液进行了电助光催化降解的研究.实验结果表明，浓度为0.5mmol/L的直接湖蓝5B水溶液经30min的光电催化降解，其大环结构可迅速破坏，颜色可迅速褪去，色度去除率高达96.8%，COD去除率可达66.7%.考察了空气流速、光催化剂加入量、底物的初始浓度、电解槽电压、pH值、电导率、以及曝气量等因素对直接湖蓝5B脱色率及COD去除率的影响.
Shams, Hoda Zaki; Mohareb, Rafat Milad; Helal, Maher Helmy; Mahmoud, Amira El-Sayed
2011-07-26
A series of novel polyfunctionalized acyclic and heterocyclic dye precursors and their respective azo (hydrazone) counterpart dyes and dye precursors based on conjugate enaminones and/or enaminonitrile moieties were synthesized. The dyes and their precursors are based on 2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-acetamide, 2-ethoxycarbonyl-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-acetamide or 2-phenylcarbamoyl-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-acetamide systems as precursors. The latter compounds were used to synthesize polyfunctional thiophene-, thiazole-, pyrazole, pyridine-, pyrimidine-, oxazine-, as well as acyclic moieties. The dyes and dye precursors were characterized by elemental analysis and spectral methods. All dyes and their precursors were screened in vitro and evaluated for both their antibacterial and antifungal activities. MIC data of the novel dye systems and their respective precursors showed significant antimicrobial activity against most tested organisms. Some compounds exhibited comparable or even higher efficiency than selected standards. Dyes were applied at 5% depth for disperse dyeing of nylon, acetate and polyester fabrics. Their spectral characteristics and fastness properties were measured and evaluated.
Rafat Milad Mohareb
2011-07-01
Full Text Available A series of novel polyfunctionalized acyclic and heterocyclic dye precursors and their respective azo (hydrazone counterpart dyes and dye precursors based on conjugate enaminones and/or enaminonitrile moieties were synthesized. The dyes and their precursors are based on 2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl-acetamide, 2-ethoxycarbonyl-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl-acetamide or 2-phenylcarbamoyl-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl-acetamide systems as precursors. The latter compounds were used to synthesize polyfunctional thiophene-, thiazole-, pyrazole, pyridine-, pyrimidine-, oxazine-, as well as acyclic moieties. The dyes and dye precursors were characterized by elemental analysis and spectral methods. All dyes and their precursors were screened in vitro and evaluated for both their antibacterial and antifungal activities. MIC data of the novel dye systems and their respective precursors showed significant antimicrobial activity against most tested organisms. Some compounds exhibited comparable or even higher efficiency than selected standards. Dyes were applied at 5% depth for disperse dyeing of nylon, acetate and polyester fabrics. Their spectral characteristics and fastness properties were measured and evaluated.
Liu, Hui, E-mail: liuhui@sust.edu.cn; Guo, Kai; Duan, Congyue; Chen, Xianjin; Zhu, Zhenfeng
2016-07-01
Three-dimensional flower-like Bi{sub 2}WO{sub 6} microspheres (3D-Bi{sub 2}WO{sub 6} MSs) have been synthesized through a simple hydrothermal method. The morphology and structure of 3D-Bi{sub 2}WO{sub 6} MSs were characterized by scanning electron microscopy (SEM) and X-ray diffraction (XRD). The 3D-Bi{sub 2}WO{sub 6} MSs subsequently were used to immobilize horseradish peroxidase (HRP) and fabricate a mediator-free biosensor for the detection of H{sub 2}O{sub 2}. Spectroscopic and electrochemical results reveal that 3D-Bi{sub 2}WO{sub 6} MSs constitute an excellent immobilization matrix with biocompatibility for enzymes. Meanwhile, due to unique morphology of the flower-like microspheres, the direct electron transfer of HRP is facilitated and the prepared biosensors display good performances for the detection of H{sub 2}O{sub 2} with a wide linear range, including two linear sections: 0.5–100 μM (R{sup 2} = 0.9983) and 100–250 μM (R{sup 2} = 0.9981), as well as an extremely low method detection limit of 0.18 μM. - Highlights: • 3D-Bi{sub 2}WO{sub 6} microspheres are used to fabricate a mediator-free biosensor firstly. • The biosensor displays a wide linear range of 0.5–250 μM for H{sub 2}O{sub 2}. • The biosensor exhibits a low detection limit of 0.18 μM for H{sub 2}O{sub 2}.
吴玉厚; 田扬; 孙红; 左家骥
2012-01-01
目的 研究直接甲醇燃料电池阳极电化学反应和传质特性对其性能的重要影响.方法 建立一个直接甲醇燃料电池阳极三维两相流模型,分析电池阳极中甲醇和CO2的分布规律,以及电池温度和甲醇通入流速对电池阳极中甲醇质量浓度和CO2质量浓度分布的影响.结果 分析结果表明沿着流道方向,甲醇质量浓度降低,而CO2质量浓度升高;流场脊下甲醇和CO2的质量浓度低于流道下甲醇和CO2的质量浓度;升高电池温度,电化学反应加快,甲醇质量浓度降低而CO2质量浓度升高;增大甲醇通入流速,CO2质量浓度升高.结论 电池的电化学反应及流场结构决定了传质在电池中的质量浓度分布;电池的电化学反应速率受电池温度与甲醇通入流速的影响.研究结果对优化直接甲醇燃料电池操作参数,提高电池性能具有重要意义.%The paper aims to study the influence on the performance with electrochemical reaction and the mass transfer characteristics in the anode of direct methanol fuel cell. A three-dimensional two-phase flow model for the anode of direct methanol fuel cell is established to analyze the distribution of methanol and CO2 in the anode of fuel cell as well as the effect of fuel cell temperature and methanol inlet velocity on the distribution of methanol and CO2 concentration in anode. The results indicate that the methanol concentration decreases while the CO2 concentration elevated along the channel direction;the mass concentration of methanol and CO2 under the channel is lower than that under the flow ridge;if the fuel cell temperature increases, the electrochemical reaction would be accelerated and methanol concentration would decreased while CO2 concentration elevated; increase of the methanol access velocity would elevated the mass concentration of CO2. It is showed in this paper that the mass concentration distribution of transfer in the cell is determined by cell
Carlsen, Bent Erik; Jensen, Bjarne Chr.; Olesen, Frits Bolonius;
Indholdet af nærværende rapport, er identisk med den indstilling, som pr. 1. september 1977 er afgivet til Dansk Ingeniør-forening, Normstyrelsen, af det i forsommeren 1976 nedsatte udvalg vedrørende brandteknisk dimensionering. Indstillingen, hvis primære formål har været at give Normstyrelsen et...... grundlag for at vurdere, om - og i givet fald hvordan - brandteknisk dimensionering af bærende konstruktioner vil kunne indføres i DIF's konstruktionsnormer, indeholder et skitseforslag til, efter hvilke principper dette vil kunne gøres. Men derudover har udvalget i fire dataoplæg (rapportens bilag 1...
刘蕴贤
2001-01-01
Alternating-direction methods are combined with characteristicfinite element to treat the problem of three-dimensional transient behavior of semiconductor with heat-conduction, whose mathematical model is an initial and boundary problem of nonlinear partial differential equation system. Electric potential equation is approximated by mixed finite element method, concentration equations are ap proximated by alternating-direction characteristic finite element methods,and heatconduction equation is approximated by Galerkin alternating-direction method.Optimal order error estimates in L2 are demonstrated.
Guron, Marta; Wei, Xiaolan; Carroll, Patrick J; Sneddon, Larry G
2010-07-05
The ruthenium-catalyzed metathesis reactions of dialkenyl-substituted ortho- and meta-carboranes provide excellent routes to both cyclic-substituted o-carboranes and new types of main-chain m-carborane polymers. The adjacent positions of the two olefins in the 1,2-(alkenyl)(2)-o-carboranes strongly favor the formation of ring-closed (RCM) products with the reactions of 1,2-(CH(2)=CHCH(2))(2)-1,2-C(2)B(10)H(10) (1), 1,2-(CH(2)=CH(CH(2))(3)CH(2))(2)-1,2-C(2)B(10)H(10) (2), 1,2-(CH(2)=CHSiMe(2))(2)-1,2-C(2)B(10)H(10) (3), 1,2-(CH(2)=CHCH(2)SiMe(2))(2)-1,2-C(2)B(10)H(10) (4), and 1,2-[CH(2)=CH(CH(2))(4)SiMe(2)](2)-1,2-C(2)B(10)H(10) (5) affording 1,2-(-CH(2)CH=CHCH(2)-)-C(2)B(10)H(10) (10), 1,2-[-CH(2)(CH(2))(3)CH=CH(CH(2))(3)CH(2)-]-1,2-C(2)B(10)H(10) (11), 1,2-[-SiMe(2)CH=CHSiMe(2)-]-1,2-C(2)B(10)H(10) (12), 1,2-[-SiMe(2)CH(2)CH=CHCH(2)SMe(2)-]-C(2)B(10)H(10) (13), and 1,2-[-SiMe(2)(CH(2))(4)CH=CH(CH(2))(4)SiMe(2)-]-C(2)B(10)H(10) (14), respectively, in 72-97% yields. On the other hand, the reaction of 1,2-(CH(2)-CHCH(2)OC(=O))(2)-1,2-C(2)B(10)H(10) (6) gave cyclo-[1,2-(1',8'-C(=O)OCH(2)CH=CHCH(2)OC(=O))-1,2-C(2)B(10)H(10)](2) (15a) and polymer 15b resulting from intermolecular metathesis reactions. The nonadjacent positions of the alkenyl groups in the 1,7-(alkenyl)(2)-m-carboranes, 1,7-(CH(2)=CHCH(2))(2)-1,7-C(2)B(10)H(10) (7), 1,7-(CH(2)=CH(CH(2))(3)CH(2))(2)-1,7-C(2)B(10)H(10) (8), and 1,7-(CH(2)=CHCH(2)SiMe(2))(2)-1,7-C(2)B(10)H(10) (9), disfavor the formation of RCM products, and in these cases, acyclic diene metathesis polymerizations (ADMET) produced new types of main chain m-carborane polymers. The structures of 3, 9, 11, 12, 13, and 15a were crystallographically confirmed.
Understanding high-dimensional spaces
Skillicorn, David B
2012-01-01
High-dimensional spaces arise as a way of modelling datasets with many attributes. Such a dataset can be directly represented in a space spanned by its attributes, with each record represented as a point in the space with its position depending on its attribute values. Such spaces are not easy to work with because of their high dimensionality: our intuition about space is not reliable, and measures such as distance do not provide as clear information as we might expect. There are three main areas where complex high dimensionality and large datasets arise naturally: data collected by online ret
McDonald, Stacey L; Wang, Qiu
2014-02-10
A direct approach to important α-amino phosphonic acids and its derivatives has been developed by using copper-catalyzed electrophilic amination of α-phosphonate zincates with O-acyl hydroxylamines. This amination provides the first example of CN bond formation which directly introduces acyclic and cyclic amines to the α-position of phosphonates in one step. The reaction is readily promoted at room temperature with as little as 0.5 mol % of catalyst, and demonstrates high efficiency on a broad substrate scope.
Dimensional Metrology for Microtechnology
Bariani, Paolo
2005-01-01
This ph. D. project was aimed at developing and validating techniques for dimensional metrology of: miniaturized items, microsystem components, and surfaces. In particular the study was focused on techniques based on: AFM-CMM integration and Scanning Electron Microscopy (SEM). Development...... was proposed and the principle demonstrated on software gauges. Simulations of Surface Mapping were done, based on the model developed. Direct performance verification of the Large Range AFM was eventually carried out, and lateral metrology was possible, in the millimeter range, with accuracy in the order...... at high magnifications was, proposed and this has resulted into a patent application. The final part of the thesis is devoted to applications of dimensional metrology to case studies. Three applications are presented, two of them are investigations of surface metrology, while the third is about extraction...
陈中中; 田国强; 苏智剑; 郑伟
2011-01-01
BACKGROUND: The excitation source's design is precondition of detecting the catheter's position in endocardial three-dimensional (3D) mapping by low-frequency electric field.OBJECTIVE: To design an excitation source for endocardial 3D mapping with simple structure and high integration, furthermore,to test the performance of the excitation source through animal experiments.M ETHODS : Three channel different frequencies (28, 30, 32 kHz) sine voltage signals were generated based on the direct digital synthesis (DDS) technology and modularization design through three AD9851 chip controlled by single-chip microcomputer STC89C52. The excitation source's performance is analyzed by acquisition and processing the localization signal in animal right atrium.RESOULTS AND CONCLUSION: The animal experimental results show that three signals' current value can be stable at 1mA and the frequency errors are 0.054％, 0.097％, 0.056％, respectively, furthermore, voltage signals in three directions can be extracted from the mapping catheter's sampling data. The excitation source has little frequency error and higher constant-current performance, and therefore can satisfy the endocardial mapping requirements.%背景:低频电场定位方式下的心内膜三维标测技术中,激励源的设计是探测导管位置的前提.目的:旨在设计一种结构简单、集成度高、专用于心内膜三维标测的激励源,并通过动物实验对激励源性能进行测试分析.方法:基于直接数字合成技术,采用模块化设计,以单片机STC89C52控制三块直接数字合成芯片AD9851为核心,生成三路频率分别为28,30,32 kHz的1 mA正弦恒流信号.施加三路信号于动物体,采集并处理右心房内的定位信号数据,对激励源性能进行评价和分析.结果与结论:动物实验结果表明,三路信号的电流值均可稳定于1 mA,其频率误差分别为0.054%,0.097%及0.056%,同时标测导管采集数据正常,能够分离出3个方向的
Nefzi, Adel; Ostresh, John M; Yu, Yongping; Yu, Jongping; Houghten, Richard A
2004-05-28
Combinatorial chemistry has deeply impacted the drug discovery process by accelerating the synthesis and screening of large numbers of compounds having therapeutic and/or diagnostic potential. These techniques offer unique enhancement in the potential identification of new and/or therapeutic candidates. Our efforts over the past 10 years in the design and diversity-oriented synthesis of low molecular weight acyclic and heterocyclic combinatorial libraries derived from amino acids, peptides, and/or peptidomimetics are described. Employing a "toolbox" of various chemical transformations, including alkylation, oxidation, reduction, acylation, and the use of a variety of multifunctional reagents, the "libraries from libraries" concept has enabled the continued development of an ever-expanding, structurally varied series of organic chemical libraries.
Green, Daniel; /SLAC /Stanford U., Phys. Dept.; Lawrence, Albion; /Brandeis U.; McGreevy, John; /MIT, LNS; Morrison, David R.; /Duke U., CGTP /UC, Santa Barbara; Silverstein,; /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.
Three-dimensional metamaterials
Burckel, David Bruce [Albuquerque, NM
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.
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.
赵东东; 张钱江; 戴世坤; 陈龙伟; 李昆
2015-01-01
从二维线源问题出发，对二维直流电阻率法高效、高精度正反演方法进行研究。在正演数值模拟中，引入直接解法求解器求解线性方程组，既保证了起伏地形条件下有限元法正演数值模拟的计算精度和计算效率，又为反演算法中“拟正演”快速回代求解提供了条件。结合高效、高精度的正演算法，采用高斯牛顿法对电阻率进行反演成像。在弱非均匀介质前提下，基于近似海森矩阵主对角线元素严格占优的特点，采用舍弃海森矩阵非对角线元素的策略，提高整个反演计算的效率。最后，利用合成数据对反演算法的有效性进行检验。结果表明：给出的反演算法稳定、快速，结合偶极−偶极装置和三极装置，能有效地反演出异常体的形状、大小和位置。%Fast and high-precision inversion method for two-dimensional line source problem was studied. In the forward numerical simulation, linear equations solver was applied for direct solution, which not only improved the precision and the speed of numerical simulation of finite element method in the case of rugged topography, but also provided conditions for the “quasi forward” fast back substitution solution in the inversion algorithm. Combined with high efficient simulation method, Gauss-Newton method was adopted for inversion of resistivity. In the case of low inhomogeneity, the main diagonal elements of the approximated Hessen matrix possessed priority than others. Based on this, non-diagonal elements were deleted when Gauss-Newton iterative equations were solved. The whole process of inversion was made more efficient by this scheme. Finally, synthetic data were used to test the validity of the presented inversion method. The results show that the inversion method is stable and fast. Combine with dipole-dipole and pole-dipole arrays, the shape, size and the location of the anomalous body can be reflected
Teleparallel Gravity in Five Dimensional Theories
Geng, Chao-Qiang; Tseng, Huan-Hsin
2014-01-01
We study teleparallel gravity in five-dimensional space-time with particular discussions on Kaluza-Klein (KK) and braneworld theories. We directly perform the dimensional reduction by differential forms. In the braneworld theory, the teleparallel gravity formalism in the Friedmann-Lema\\^{i}tre-Robertson-Walker cosmology is equivalent to GR due to the same Friedmann equation, whereas in the KK case the reduction of our formulation does not recover the effect as GR of 4-dimensional spacetime.
One-dimensional photonic crystals
Shen, Huaizhong; Wang, Zhanhua; Wu, Yuxin; Yang, Bai
2016-01-01
A one-dimensional photonic crystal (1DPC), which is a periodic nanostructure with a refractive index distribution along one direction, has been widely studied by scientists. In this review, materials and methods for 1DPC fabrication are summarized. Applications are listed, with a special emphasis
A novel two dimensional particle velocity sensor
Pjetri, Olti; Wiegerink, Remco J.; Lammerink, Theo S.; Krijnen, Gijs J.
2013-01-01
In this paper we present a two wire, two-dimensional particle velocity sensor. The miniature sensor of size 1.0x2.5x0.525 mm, consisting of only two crossed wires, shows excellent directional sensitivity in both directions, thus requiring no directivity calibration, and is relatively easy to fabrica
On 2-dimensional topological field theories
Dumitrescu, Florin
2010-01-01
In this paper we give a characterization of 2-dimensional topological field theories over a space $X$ as Frobenius bundles with connections over $LX$, the free loop space of $X$. This is a generalization of the folk theorem stating that 2-dimensional topological field theories (over a point) are described by finite-dimensional commutative Frobenius algebras. In another direction, this result extends the description of 1-dimensional topological field theories over a space $X$ as vector bundles with connections over $X$, cf. \\cite{DST}.
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.
Optimal Function Computation in Directed and Undirected Graphs
Kowshik, Hemant
2011-01-01
We consider the problem of information aggregation in sensor networks, where one is interested in computing a function of the sensor measurements. We allow for block processing and study in-network function computation in directed graphs and undirected graphs. We study how the structure of the function affects the encoding strategies, and the effect of interactive information exchange. We begin by considering a directed graph G = (V, E) on the sensor nodes, where the goal is to determine the optimal encoders on each edge which achieve function computation at the collector node. Our goal is to characterize the rate region in R^{|E|}, i.e., the set of points for which there exist feasible encoders with given rates which achieve zero-error computation for asymptotically large block length. We determine the solution for directed trees, specifying the optimal encoder and decoder for each edge. For general directed acyclic graphs, we provide an outer bound on the rate region by finding the disambiguation requiremen...
Doerr, Nicole
2013-01-01
Direct democracy describes a theory of democracy and a form of collective decision-making in which sovereignty is directly exercised by the people. Democracy is direct if it is characterized by citizens making all decisions together with a maximum of equal participation. Direct democracy can...
Karlo Wittine
2013-10-01
Full Text Available In the present paper, we report on the synthesis, and in vitro antiviral and cytostatic activities of a series of novel imidazole[4,5-e][1,3]diazepine-4,8-dione (compounds 9–11 and acyclic carbamoyl imino-ureido imidazole (compounds 12 and 13 derivatives. These new type of chemical entities showed no significant activity on the broad spectrum of DNA and RNA viruses. Results of antiproliferative assays performed on a panel of selected human tumor cell lines revealed that only compounds 1 and 5 showed moderate and selective cytostatic effect against HeLa cells (IC50 = 24 and 32 µM with no concomitant cytotoxic effects on human normal fibroblasts (BJ. Importantly, an imidazole derivative containing a pyrrolidine moiety linked via an ethylenic spacer (3 showed a selective cytostatic effect toward cervical carcinoma (HeLa cells (IC50 = 9.5 µM with no apparent cytotoxicity on human normal fibroblasts (BJ. This compound can be therefore considered as a potential anti-tumor lead compound for further synthetic structure optimization.
BioJS DAGViewer: A reusable JavaScript component for displaying directed graphs.
Kalderimis, Alexis; Stepan, Radek; Sullivan, Julie; Lyne, Rachel; Lyne, Michael; Micklem, Gos
2014-01-01
The DAGViewer BioJS component is a reusable JavaScript component made available as part of the BioJS project and intended to be used to display graphs of structured data, with a particular emphasis on Directed Acyclic Graphs (DAGs). It enables users to embed representations of graphs of data, such as ontologies or phylogenetic trees, in hyper-text documents (HTML). This component is generic, since it is capable (given the appropriate configuration) of displaying any kind of data that is organised as a graph. The features of this component which are useful for examining and filtering large and complex graphs are described. http://github.com/alexkalderimis/dag-viewer-biojs; http://github.com/biojs/biojs; http://dx.doi.org/10.5281/zenodo.8303.
Houtman, C.; Lamoree, M.; Legler, J.; Brouwer, A. [Vrije Univ., Amsterdam (Netherlands). Inst. for Environmental Studies; Jover, E. [I.I.Q.A.B.-C.S.I.C., Barcelona (Spain). Dept. of Environmental Chemistry; Adahchour, M. [Vrije Univ., Amsterdam (Netherlands). Dept. of Analytical Chemistry and Applied Spectroscopy
2004-09-15
The dioxin responsive (DR-) and estrogen responsive (ER-) CALUX {sup registered} -assays (Chemical Activated Luciferase Gene Expression) are mechanism-based, rapid and extremely sensitive in vitro reporter gene bioassays developed to assess dioxin-like and estrogenic activity. They provide useful information about the total dioxin-like or estrogenic potential of complex mixtures of chemicals in environmental samples. They are especially useful if combined with instrumental analytical approaches, as e.g. in bioassay-directed fractionation. In this approach, bioassays are used to direct fractionation and chemical analysis in order to elucidate compounds responsible for the toxic activity found in a sample. The present study was undertaken to elucidate dioxin-like and estrogenic chemicals in sediment from the harbor of the small town of Zierikzee in the Dutch delta area. Former research had shown high dioxin-like and estrogenic activity in sediment from this location. DR- and ER-CALUX {sup registered} assay were used to direct fractionation and chemical analysis of sediment extract. Active fractions were analyzed with comprehensive multidimensional GC x GC-Time-of-Flight Mass Spectrometry to elucidate responsible compounds.
Yamamoto, S.
2000-11-01
In response to recent nuclear magnetic resonance measurements on a ferrimagnetic chain compound NiCu(C 7H 6N 2O 6)(H 2O) 3·2H 2O [Solid State Commun. 113 (2000) 433], we calculate the nuclear spin-lattice relaxation rate 1/ T1 in terms of a modified spin-wave theory. Emphasizing that the dominant relaxation mechanism arises from the direct (single-magnon) process rather than the Raman (two-magnon) one, we explain the observed temperature and applied-field dependences of 1/ T1. Ferrimagnetic relaxation phenomena are generally discussed and novel ferrimagnets with extremely slow dynamics are predicted.
Beramendi, Virginia; Ellis, Andrew; Kaufman, Bruno
While many books on direct democracy have a regional or national approach, or simply focus on one of the many mechanisms associated with direct democracy, this Handbook delves into a global comparison of direct democracy mechanisms, including referendums, citizens' initiatives, agenda initiatives...... included as a chapter in the Handbook are possible measures for best practices of implementation, designed for those who wish to tailor direct democracy instruments to their specific needs. In order to further complement the best practices, a variety of global case studies detail the practical uses...... of direct democracy mechanisms in specific contexts. These country case studies allow for in depth discussion of particular issues, including signature collection and voter participation, campaign financing, media coverage, national variations in the usage of direct democracy procedures and national lessons...
Beramendi, Virginia; Ellis, Andrew; Kaufman, Bruno
While many books on direct democracy have a regional or national approach, or simply focus on one of the many mechanisms associated with direct democracy, this Handbook delves into a global comparison of direct democracy mechanisms, including referendums, citizens' initiatives, agenda initiatives...... valuable information regarding the binding or non-binding nature of referendums, as well as issues that can be brought forth to a referendum....
Two dimensional fermions in three dimensional YM
Narayanan, R
2010-01-01
Dirac fermions in the fundamental representation of $SU(N)$ live on the surface of a cylinder embedded in $R^3$ and interact with a three dimensional $SU(N)$ Yang Mills vector potential preserving a global chiral symmetry at finite $N$. As the circumference of the cylinder is varied from small to large, the chiral symmetry gets spontaneously broken in the infinite $N$ limit at a typical bulk scale. Replacing three dimensional YM by four dimensional YM introduces non-trivial renormalization effects.
Direct cooled power electronics substrate
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.
Steiger, Sabine; Takaichi, Shinichi; Sandmann, Gerhard
2002-07-17
Acyclic hydroxy carotenoids were produced from lycopene and 3,4-didehydrolycopene in Escherichia coli by combining different carotenogenic genes including the carotene hydratase gene crtC and the carotene 3,4-desaturase gene crtD. The genes originated either from Rhodobacter species or Rubrivivax gelatinosus. It was shown that the product of crtD from Rubrivivax unlike the one from Rhodobacter is able to convert 1-HO-3,4-didehydrolycopene to 1-HO-3,4,3',4'-tetradehydrolycopene (=3,4,3',4'-tetradehydro-1,2-dihydro-psi,psi-caroten-1-ol). Thus, only when the desaturase from Rubrivivax is expressed can this novel carotenoid be obtained. In the presence of crtC from Rubrivivax, another carotenoid 1,1'-(HO)(2)-3,4-didehydrolycopene (=3,4-didehydrolycopene-1,2,1',2'-tetrahydro-psi,psi-caroten-1,1'-diol) not found in a non-transgenic organism before is formed in E. coli. Its accumulation under these conditions and its absence when crtC from Rubrivivax is replaced by the corresponding gene from Rhodobacter is discussed. The function of the different crtC and crtD genes in the pathway leading to the individual carotenoids is outlined. Since 1,1'-(HO)(2)-3,4-didehydrolycopene could not be produced in substantial amounts and 1-HO-3,4,3',4'-tetradehydrolycopene has not been described before, their structural characteristics were determined for the definite assignment of their identity. This included spectral properties, determination of relative molecular mass as well as the number of hydroxy groups by mass spectroscopy and NMR spectroscopy for 1,1'-(HO)(2)-3,4-didehydrolycopene.
Caba, Octavio; Rodríguez-Serrano, Fernando; Díaz-Gavilán, Mónica; Conejo-García, Ana; Ortiz, Raúl; Martínez-Amat, Antonio; Alvarez, Pablo; Gallo, Miguel A; Campos, Joaquín M; Marchal, Juan A; Aránega, Antonia
2012-04-01
Advance in the knowledge of molecular biology has thrown light on many aspects of apoptosis regulation mechanisms. This has allowed a change in anti-cancer therapy trends, from classic cytotoxic strategies to the development of new non-harmful therapies which target the apoptosis response selectively only in tumour cells. We have selected an anthranilic alcohol-derived acyclic 5-fluorouracil O,N-acetal (5) to carry out the anti-cancer studies. This compound shows activity as a potent growth inhibitor of the tumour cell line MCF-7 at a very low concentration. Moreover, when this compound was administered to the non-neoplastic cell line, MCF-10A displayed less toxicity resulting in lower rates of apoptosis. Further studies by microarray hybridization, real-time PCR and western blot showed that when administered to human breast cancer cells, MCF-7, 5 had no activity against classic pro-apoptotic genes such as p53, and even induced the down-regulation of anti-apoptotic genes such as Bcl-2. In contrast, several pro-apoptotic genes related with the endoplasmic reticulum (ER)-stress-induced apoptosis, such as BBC3 and Noxa, appeared up-regulated. These results seem to show that the mechanism of action and selectivity of 5 was via the activation of the ER stress-induced apoptosis. The selective activity of this compound against tumour cells via the ER stress-induced apoptosis supposes a great advantage for future therapeutic use. Copyright Â© 2012 Elsevier Masson SAS. All rights reserved.
6-dimensional brane world model
Kanti, Panagiota; Madden, Richard; Olive, Keith A.
2001-08-15
We consider a 6-dimensional spacetime which is periodic in one of the extra dimensions and compact in the other. The periodic direction is defined by two 4-brane boundaries. Both static and nonstatic exact solutions, in which the internal spacetime has a constant radius of curvature, are derived. In the case of static solutions, the brane tensions must be tuned as in the 5-dimensional Randall-Sundrum model; however, no additional fine-tuning is necessary between the brane tensions and the bulk cosmological constant. By further relaxing the sole fine-tuning of the model, we derive nonstatic solutions, describing de Sitter or anti--de Sitter 4-dimensional spacetimes, that allow for the fixing of the interbrane distance and the accommodation of pairs of positive--negative and positive--positive tension branes. Finally, we consider the stability of the radion field in these configurations by employing small, time-dependent perturbations around the background solutions. In analogy with results drawn in five dimensions, the solutions describing a de Sitter 4-dimensional spacetime turn out to be unstable while those describing an anti--de Sitter geometry are shown to be stable.
Dimensional Enhancement via Supersymmetry
M. G. Faux
2011-01-01
of supersymmetry in one time-like dimension. This is enabled by algebraic criteria, derived, exhibited, and utilized in this paper, which indicate which subset of one-dimensional supersymmetric models describes “shadows” of higher-dimensional models. This formalism delineates that minority of one-dimensional supersymmetric models which can “enhance” to accommodate extra dimensions. As a consistency test, we use our formalism to reproduce well-known conclusions about supersymmetric field theories using one-dimensional reasoning exclusively. And we introduce the notion of “phantoms” which usefully accommodate higher-dimensional gauge invariance in the context of shadow multiplets in supersymmetric quantum mechanics.
Two dimensional fermions in four dimensional YM
Narayanan, R
2009-01-01
Dirac fermions in the fundamental representation of SU(N) live on a two dimensional torus flatly embedded in $R^4$. They interact with a four dimensional SU(N) Yang Mills vector potential preserving a global chiral symmetry at finite $N$. As the size of the torus in units of $\\frac{1}{\\Lambda_{SU(N)}}$ is varied from small to large, the chiral symmetry gets spontaneously broken in the infinite $N$ limit.
Darsø, Lotte; Ibbotson, Piers
2008-01-01
In this article we argue that leaders facing complex challenges can learn from the arts, specifically that leaders can learn by examining how theatre directors direct creativity through creative constraints. We suggest that perceiving creativity as a boundary phenomenon is helpful for directing it....... Like leaders, who are caught in paradoxical situations where they have to manage production and logistics simultaneously with making space for creativity and innovation, theatre directors need to find the delicate balance between on one hand renewal of perceptions, acting and interaction...... and on the other hand getting ready for the opening night. We conclude that the art of directing creativity is linked to developing competencies of conscious presence, attention and vigilance, whereas the craft of directing creativity concerns communication, framing and choice....
Raffa, Robert B; Tallarida, Ronald J
2010-01-01
The chapters of this book summarize much of what has been done and reported regarding cancer chemotherapy-related cognitive impairment. In this chapter, we point out some future directions for investigation.
Higher dimensional discrete Cheeger inequalities
Anna Gundert
2015-01-01
Full Text Available For graphs there exists a strong connection between spectral and combinatorial expansion properties. This is expressed, e.g., by the discrete Cheeger inequality, the lower bound of which states that $\\lambda(G \\leq h(G$, where $\\lambda(G$ is the second smallest eigenvalue of the Laplacian of a graph $G$ and $h(G$ is the Cheeger constant measuring the edge expansion of $G$. We are interested in generalizations of expansion properties to finite simplicial complexes of higher dimension (or uniform hypergraphs. Whereas higher dimensional Laplacians were introduced already in 1945 by Eckmann, the generalization of edge expansion to simplicial complexes is not straightforward. Recently, a topologically motivated notion analogous to edge expansion that is based on $\\mathbb{Z}_2$-cohomology was introduced by Gromov and independently by Linial, Meshulam and Wallach. It is known that for this generalization there is no direct higher dimensional analogue of the lower bound of the Cheeger inequality. A different, combinatorially motivated generalization of the Cheeger constant, denoted by $h(X$, was studied by Parzanchevski, Rosenthal and Tessler. They showed that indeed $\\lambda(X \\leq h(X$, where $\\lambda(X$ is the smallest non-trivial eigenvalue of the ($(k-1$-dimensional upper Laplacian, for the case of $k$-dimensional simplicial complexes $X$ with complete $(k-1$-skeleton. Whether this inequality also holds for $k$-dimensional complexes with non-com\\-plete$(k-1$-skeleton has been an open question.We give two proofs of the inequality for arbitrary complexes. The proofs differ strongly in the methods and structures employed,and each allows for a different kind of additional strengthening of the original result.
Simple Two-Dimensional Corrections for One-Dimensional Pulse Tube Models
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.
Uniform Deterministic Discrete Method for Three Dimensional Systems
无
1997-01-01
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 numercal accuracy.
Direction sensitive neutron detector
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.
Baeuchle, Bjoern [Frankfurt Institute for Advanced Studies (FIAS), Ruth-Moufang-Str. 1, D-60438 Frankfurt am Main (Germany); Bleicher, Marcus; Grimm, Andreas [Frankfurt Institute for Advanced Studies (FIAS), Ruth-Moufang-Str. 1, D-60438 Frankfurt am Main (Germany); Frankfurt Univ. (Germany). Inst. fuer Theoretische Physik
2013-07-01
Photons, as all electromagnetic probes, can give direct access to the hot and dense phase of a heavy-ion reaction. We show calculations of direct photon emission at SiS100- and SiS-300 energies with the UrQMD-hybrid model. UrQMD is a full microscopic+macroscopic transport/fluid-dynamics hybrid model with hadron- and string-driven equilibration phase, a full (3+1)-dimensional fluiddynamic hot and dense phase and a hadronic after-burner. Unequilibrated matter at high rapidity is preserved during the fluid phase. A strong emphasis is set on the impact of viscosity and Equation of State at zero and non-zero baryon density to the spectra and flow patterns of thermal and non-thermal photons in A+A-collisions at the colliding systems relevant for FAIR.
Quantum centrality testing on directed graphs via P T -symmetric quantum walks
Izaac, J. A.; Wang, J. B.; Abbott, P. C.; Ma, X. S.
2017-09-01
Various quantum-walk-based algorithms have been proposed to analyze and rank the centrality of graph vertices. However, issues arise when working with directed graphs: the resulting non-Hermitian Hamiltonian leads to nonunitary dynamics, and the total probability of the quantum walker is no longer conserved. In this paper, we discuss a method for simulating directed graphs using P T -symmetric quantum walks, allowing probability-conserving nonunitary evolution. This method is equivalent to mapping the directed graph to an undirected, yet weighted, complete graph over the same vertex set, and can be extended to cover interdependent networks of directed graphs. Previous work has shown centrality measures based on the continuous-time quantum walk provide an eigenvectorlike quantum centrality; using the P T -symmetric framework, we extend these centrality algorithms to directed graphs with a significantly reduced Hilbert space compared to previous proposals. In certain cases, this centrality measure provides an advantage over classical algorithms used in network analysis, for example, by breaking vertex rank degeneracy. Finally, we perform a statistical analysis over ensembles of random graphs, and show strong agreement with the classical PageRank measure on directed acyclic graphs.
Clustering high dimensional data
Assent, Ira
2012-01-01
High-dimensional data, i.e., data described by a large number of attributes, pose specific challenges to clustering. The so-called ‘curse of dimensionality’, coined originally to describe the general increase in complexity of various computational problems as dimensionality increases, is known...... to render traditional clustering algorithms ineffective. The curse of dimensionality, among other effects, means that with increasing number of dimensions, a loss of meaningful differentiation between similar and dissimilar objects is observed. As high-dimensional objects appear almost alike, new approaches...
Karttunen, L
1996-01-01
This paper introduces to the finite-state calculus a family of directed replace operators. In contrast to the simple replace expression, UPPER -> LOWER, defined in Karttunen (ACL-95), the new directed version, UPPER @-> LOWER, yields an unambiguous transducer if the lower language consists of a single string. It transduces the input string from left to right, making only the longest possible replacement at each point. A new type of replacement expression, UPPER @-> PREFIX ... SUFFIX, yields a transducer that inserts text around strings that are instances of UPPER. The symbol ... denotes the matching part of the input which itself remains unchanged. PREFIX and SUFFIX are regular expressions describing the insertions. Expressions of the type UPPER @-> PREFIX ... SUFFIX may be used to compose a deterministic parser for a ``local grammar'' in the sense of Gross (1989). Other useful applications of directed replacement include tokenization and filtering of text streams.
Emprendimiento sostenible, significado y dimensiones
Rodríguez Moreno, Diana Cristina
2016-01-01
El emprendimiento sostenible es un tema poco explorado, se ha identificado una baja información teórica y empírica especialmente en idioma español, por esta razón este trabajo presenta una revisión de literatura acerca del emprendimiento sostenible, el objetivo es comprender su significado y dimensiones. Para responder a este objetivo se realizó una revisión de literatura, la selección de documentos fue realizada usando Scopus, después se obtuvieron los documentos en science direct. (Ebsco, T...
Emprendimiento sostenible, significado y dimensiones
Rodríguez Moreno, Diana Cristina
2016-01-01
El emprendimiento sostenible es un tema poco explorado, se ha identificado una baja información teórica y empírica especialmente en idioma español, por esta razón este trabajo presenta una revisión de literatura acerca del emprendimiento sostenible, el objetivo es comprender su significado y dimensiones. Para responder a este objetivo se realizó una revisión de literatura, la selección de documentos fue realizada usando Scopus, después se obtuvieron los documentos en science direct. (Ebsco, T...
Darsø, Lotte; Ibbotson, Piers
2008-01-01
In this article we argue that leaders facing complex challenges can learn from the arts, specifically that leaders can learn by examining how theatre directors direct creativity through creative constraints. We suggest that perceiving creativity as a boundary phenomenon is helpful for directing it....... Like leaders, who are caught in paradoxical situations where they have to manage production and logistics simultaneously with making space for creativity and innovation, theatre directors need to find the delicate balance between on one hand renewal of perceptions, acting and interaction...
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.
Theoretical prospects for directional WIMP detection
O'Hare, Ciaran A J
2015-01-01
Direct detection of dark matter with directional sensitivity is a promising concept for improving the search for weakly interacting massive particles. With information on the direction of WIMP induced nuclear recoils one has access to the full 3-dimensional velocity distribution of the local dark matter halo and thus a potential avenue for studying WIMP astrophysics. Furthermore the unique angular signature of the WIMP recoil distribution provides a crucial discriminant from neutrinos which currently represent the ultimate background to direct detection experiments.
Synthesis and Anion Recognition of Acyclic Ferrocene-Based Imidazole Receptors%双核开链茂铁咪唑受体的合成与阴离子识别研究
卓继斌; 晏希泉; 王小雪; 谢莉莉; 袁耀锋
2015-01-01
The design and synthesis of artificial receptors capable of binding and sensing anions have been widely explored in the field of host-guest chemistry. Herein, a series of acyclic ferrocene-based imidazolium receptors3a~3e were designed and synthesized. All the receptors were prepared by reactions of 1-(ferrocenylmethylene)imidazole1 with corresponding dibro-mides in solvent under refluxing, followed by anion exchanges with NH4PF6. The structures of all the products were deter-mined by IR,1H NMR,13C NMR, MS and elemental analysis. The crystal structure3e was confirmed by X-ray crystallog-raphy, and it was clear that molecules were linked by C—H…F hydrogen bonds interactions. The interaction between these receptors and various anions was studied by electrochemicalmeasurements and1H NMR spectroscopy. The receptors3a~3e were proven to be highly selective and sensitive to F-.1H NMR titrations demonstrated that the receptors and anions form 1∶1 complex, and the receptors displayed a strong (C—H)+…X- in anion recognition. Receptor3c was the most effective re-ceptor to bind with fluoride ion compared to the others.%通过二茂铁甲基咪唑1与不同的二溴代烷反应合成了一系列双核开链的茂铁咪唑受体3a～3e,化合物3e的晶体结构表明分子间有着强的C—H…F氢键作用。利用电化学和核磁共振氢谱考察了受体3a～3e对不同常见阴离子的识别能力。电化学滴定实验表明受体3a～3e在乙腈溶液中均能很好地识别F－。核磁滴定证实了受体与不同阴离子之间氢键作用及参与类型。 Job曲线表明受体分子与阴离子间形成1∶1型的配合物,通过络合常数(Ka)的对比表明受体3c对氟离子的选择性识别能力最好。
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
Čičić Muris
2002-01-01
Full Text Available Direct Marketing (DM is usually treated as unworthy activity, with actions at the edge of legality and activities minded cheating. Despite obvious problems regarding ethics and privacy threat, DM with its size, importance and role in a concept of integrated marketing communication deserves respect and sufficient analysis and review
ON CONVERGENCE RATE OF APPROXIMATION FOR TWO-DIMENSIONAL BASKAKOV OPERATORS
Feng Guo
2003-01-01
In this paper, we study the convergence rate of two-dimensional Baskakov operators with Jacobiweights making use of multivariate decompose skills and results of one-dimensional Baskakov operators, and obtain the direct approximationtheorem.
Markov chain Monte Carlo methods in directed graphical models
Højbjerre, Malene
Directed graphical models present data possessing a complex dependence structure, and MCMC methods are computer-intensive simulation techniques to approximate high-dimensional intractable integrals, which emerge in such models with incomplete data. MCMC computations in directed graphical models...
Facial three-dimensional morphometry.
Ferrario, V F; Sforza, C; Poggio, C E; Serrao, G
1996-01-01
Three-dimensional facial morphometry was investigated in a sample of 40 men and 40 women, with a new noninvasive computerized method. Subjects ranged in age between 19 and 32 years, had sound dentitions, and no craniocervical disorders. For each subject, 16 cutaneous facial landmarks were automatically collected by a system consisting of two infrared camera coupled device (CCD) cameras, real time hardware for the recognition of markers, and software for the three-dimensional reconstruction of landmarks' x, y, z coordinates. From these landmarks, 15 linear and 10 angular measurements, and four linear distance ratios were computed and averaged for sex. For all angular values, both samples showed a narrow variability and no significant gender differences were demonstrated. Conversely, all the linear measurements were significantly higher in men than in women. The highest intersample variability was observed for the measurements of facial height (prevalent vertical dimension), and the lowest for the measurements of facial depth (prevalent horizontal dimension). The proportions of upper and lower face height relative to the anterior face height showed a significant sex difference. Mean values were in good agreement with literature data collected with traditional methods. The described method allowed the direct and noninvasive calculation of three-dimensional linear and angular measurements that would be usefully applied in clinics as a supplement to the classic x-ray cephalometric analyses.
Naimi, Ashley I; Kaufman, Jay S; MacLehose, Richard F
2014-10-01
Recent methodological innovation is giving rise to an increasing number of applied papers in medical and epidemiological journals in which natural direct and indirect effects are estimated. However, there is a longstanding debate on whether such effects are relevant targets of inference in population health. In light of the repeated calls for a more pragmatic and consequential epidemiology, we review three issues often raised in this debate: (i) the use of composite cross-world counterfactuals and the need for cross-world independence assumptions; (ii) interventional vs non-interventional identifiability; and (iii) the interpretational ambiguity of natural direct and indirect effect estimates. We use potential outcomes notation and directed acyclic graphs to explain 'cross-world' assumptions, illustrate implications of this assumption via regression models and discuss ensuing issues of interpretation. We argue that the debate on the relevance of natural direct and indirect effects rests on whether one takes as a target of inference the mathematical object per se, or the change in the world that the mathematical object represents. We further note that public health questions may be better served by estimating controlled direct effects.
Three dimensional strained semiconductors
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.
Dimensional Enhancement via Supersymmetry
Faux, M G; Landweber, G D
2009-01-01
We explain how the representation theory associated with supersymmetry in diverse dimensions is encoded within the representation theory of supersymmetry in one time-like dimension. This is enabled by algebraic criteria, derived, exhibited, and utilized in this paper, which indicate which subset of one-dimensional supersymmetric models describe "shadows" of higher-dimensional models. This formalism delineates that minority of one-dimensional supersymmetric models which can "enhance" to accommodate extra dimensions. As a consistency test, we use our formalism to reproduce well-known conclusions about supersymmetric field theories using one-dimensional reasoning exclusively. And we introduce the notion of "phantoms" which usefully accommodate higher-dimensional gauge invariance in the context of shadow multiplets in supersymmetric quantum mechanics.
Dimensionality reduction of collective motion by principal manifolds
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.
Two-Dimensional Toda-Heisenberg Lattice
Vadim E. Vekslerchik
2013-06-01
Full Text Available We consider a nonlinear model that is a combination of the anisotropic two-dimensional classical Heisenberg and Toda-like lattices. In the framework of the Hirota direct approach, we present the field equations of this model as a bilinear system, which is closely related to the Ablowitz-Ladik hierarchy, and derive its N-soliton solutions.
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.
1999-01-01
YANG Yang is he director of China Television PlayCenter.Before the arrival of the series Holding Hands,she filmed television plays reflecting women and marriage.Examples of her work include Niu Yuqin and Her Trees and theMidnight Trolley.The artistry and sympathy towards women inthese programmes make it obvious that they were directed by awoman.Holding Hands especially cements this connection.
Synthetic Spectrum Methods for Three-Dimensional Supernova Models
Thomas, R C
2003-01-01
Current observations stimulate the production of fully three-dimensional explosion models, which in turn motivates three-dimensional spectrum synthesis for supernova atmospheres. We briefly discuss techniques adapted to address the latter problem, and consider some fundamentals of line formation in supernovae without recourse to spherical symmetry. Direct and detailed extensions of the technique are discussed, and future work is outlined.
Dimensional comparison theory.
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.
Three-dimensional direct particle simulation on the Connection Machine
Dagum, Leonardo
1991-01-01
This paper presents the algorithms necessary for an efficient data parallel implementation of a 3D particle simulation. In particular, a general master/slave algorithm and a fast sorting algorithm are described and the use of these algorithms in a particle simulation is outlined. A particle simulation using these algorithms has been implemented on a 32768 processor Connection Machine that is capable of simulating over 30 million particles at an average rate of 2.4-microsec/particle/step. Results are presented from the simulation of flow over an Aeroassisted Flight Experiment geometry at 100 km altitude.
Three Dimensional Optical Metamaterials via Direct Laser Writing
2013-03-01
one can consider long-lasting irradiation with constant in time point-like source. For simplicity, we take the spherically symmetric Gaussian source...such a balanced state the quencher number density distribution is maintained constant in time : . Examples of such calculated distributions are shown
Learning Discriminative Bayesian Networks from High-Dimensional Continuous Neuroimaging Data.
Zhou, Luping; Wang, Lei; Liu, Lingqiao; Ogunbona, Philip; Shen, Dinggang
2016-11-01
Due to its causal semantics, Bayesian networks (BN) have been widely employed to discover the underlying data relationship in exploratory studies, such as brain research. Despite its success in modeling the probability distribution of variables, BN is naturally a generative model, which is not necessarily discriminative. This may cause the ignorance of subtle but critical network changes that are of investigation values across populations. In this paper, we propose to improve the discriminative power of BN models for continuous variables from two different perspectives. This brings two general discriminative learning frameworks for Gaussian Bayesian networks (GBN). In the first framework, we employ Fisher kernel to bridge the generative models of GBN and the discriminative classifiers of SVMs, and convert the GBN parameter learning to Fisher kernel learning via minimizing a generalization error bound of SVMs. In the second framework, we employ the max-margin criterion and build it directly upon GBN models to explicitly optimize the classification performance of the GBNs. The advantages and disadvantages of the two frameworks are discussed and experimentally compared. Both of them demonstrate strong power in learning discriminative parameters of GBNs for neuroimaging based brain network analysis, as well as maintaining reasonable representation capacity. The contributions of this paper also include a new Directed Acyclic Graph (DAG) constraint with theoretical guarantee to ensure the graph validity of GBN.
Dimensional regularization is generic
Fujikawa, Kazuo
2016-01-01
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 $\\lambda\\phi^{4}$ 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 $\\lambda\\phi^{4}$ theory without encountering the quadratic divergence. We thus suggest that the dimensional regularization is generic in a bottom-up approach starting with a successful low-energy theory. We also define a modified version of t...
Experimental higher dimensional entanglement
Richart, Daniel L.; Wieczorek, Witlef; Weinfurter, Harald [MPI fuer Quantenoptik, Hans Kopfermannstr. 1, 85748 Garching (Germany); Ludwig-Maximilians-Universitaet, Schellingstr. 4, D-80797 Muenchen (Germany)
2009-07-01
Higher dimensional states (qudits) allow to implement quantum communication schemes of increasing complexity, as e.g. superdense coding. Similarly, qudits allow further research into the fundaments of quantum theory. Here we report on first steps towards the implementation of states with correlated photon pairs in a 2 x 8 dimensional Hilbert space. To this end the photon pairs are prepared in the energy-time basis, as initially proposed in: Using unbalanced interferometers, information can be encoded in the different arrival times of the photon pairs, early and late, as was experimentally realized in. Here, we extend this scheme by proposing and characterizing a scalable multiple time delay interferometer. This interferometer system allows an exponential increase in the dimensionality of the entangled state with only a linear increase in the optical components used. Using the proposed interferometer system, first experimental tests on a two-dimensional state yielded a violation of a Bell inequality by four standard deviations.
Future direction of direct writing
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.
Towards two-dimensional search engines
Ermann, Leonardo; Chepelianskii, Alexei D.; Shepelyansky, Dima L.
2011-01-01
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 that paves the way for development of two-dimensional search engines of new type. Statistical properties of inf...
Primary 3-dimensional culture of mouse hepatocytes
无
2000-01-01
Complex 3-dimensional structures with good functions have been obtained under the primary mixcoculture of mouse hepatocytes with mouse liver fibroblasts without serum. Albumin secretion is kept above 10 μg/106 cells and urea synthesis reaches 25 μg/106 on the 7th day of culture. Avoiding serum affection, liver fibroblasts' effects on hepatocytes' viability, functions and 3-dimensional structure forming in primary serum-free culture have been studied. Important effects of the mesenchyma, especially the direct adherence of fibroblasts to hepatocytes, are shown.
... advance directive; Do-not-resuscitate - advance directive; Durable power of attorney - advance care directive; POA - advance care directive; Health care agent - advance care directive; Health care proxy - ...
A sparse grid based method for generative dimensionality reduction of high-dimensional data
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.
吴尽昭; 侯晖; 李绍荣
2009-01-01
The forthcoming semantic Web evolving from the current World Wide Web is designed to define the semantics of information and services on the web, thereby endowing the web with intelligence to automatically reason about the web contents. Description logics (DLs) play a substantial role in the semantic Web, since they underlie the W3C-recommended Web ontology language (OWL), which is derived from ontology research in artificial intelligence (AI) in order to achieve the goal of the semantic Web. However, the knowledge and data in the Semantic Web are large-scale, dispersive, multi-authored, and therefore usually inconsistent. It is reasonable and imperative to develop practical reasoning techniques for inconsistent ontologies. This paper proposes a new type of paraconsistent description logics based on Hunter's quasi-classical logic (QCL), which are termed as quasi-classical description logics (QCDLs). QCDLs avoid logical explosion. A semantic tableau calculus is constructed in QCDLs for the reasoning on the knowledge bases with acyclic TBox. Furthermore, a sound, complete and decidable consequence relation based on the calculus is defined. These enable a complete framework for paraconsistent reasoning in the Semantic Web. A comparison with other key paraconsistent description logics is also given. It is shown that QCDLs possess more expressive semantics and stronger reasoning capability, and that its connectives behave classically at the object level.%源自当今互联网的语义网研究的目的是定义信息语义和网络服务,因此需要赋予网络智能以便能够自动对网络内容进行推理.各种描述逻辑(DLs)在语义网的研究中扮演着重要角色,构成了W3C推荐的网络本体语言(OWL)的基础,而OWL源于为达到语义网目标的人工智能(AI)本体论研究.语义网的知识和数据量巨大、分散、来源众多且因此通常不具有协调性.因此,必须开发针对非协调本体的实用的推理技术.该文基
On the four-dimensional formulation of dimensionally regulated amplitudes
Fazio, A.R. [Universidad Nacional de Colombia, Departamento de Fisica, Bogota (Colombia); Mastrolia, P. [Universita di Padova, Dipartimento di Fisica e Astronomia, Padua (Italy); Max-Planck-Institut fuer Physik, Munich (Germany); INFN, Padova (Italy); Mirabella, E. [Max-Planck-Institut fuer Physik, Munich (Germany); Torres Bobadilla, W.J. [Universidad Nacional de Colombia, Departamento de Fisica, Bogota (Colombia); Universita di Padova, Dipartimento di Fisica e Astronomia, Padua (Italy); INFN, Padova (Italy)
2014-12-01
Elaborating on the four-dimensional helicity scheme, we propose a pure four-dimensional formulation (FDF) of the d-dimensional regularization of one-loop scattering amplitudes. In our formulation particles propagating inside the loop are represented by massive internal states regulating the divergences. The latter obey Feynman rules containing multiplicative selection rules which automatically account for the effects of the extra-dimensional regulating terms of the amplitude. We present explicit representations of the polarization and helicity states of the four-dimensional particles propagating in the loop. They allow for a complete, four-dimensional, unitarity-based construction of d-dimensional amplitudes. Generalized unitarity within the FDF does not require any higher-dimensional extension of the Clifford and the spinor algebra. Finally we show how the FDF allows for the recursive construction of d-dimensional one-loop integrands, generalizing the four-dimensional open-loop approach. (orig.)
董瑞; 王旭霞; 张文娟; 李静; 郑德华; 张君
2013-01-01
目的 用三维有限元方法分析前牵引颏部反作用力对颌骨尤其是颞下颌关节应力及位移的影响,为前牵引的临床应用提供参考.方法 选择1名健康男性青年志愿者作为研究对象,对其头部行CT扫描,并借助Mimics等专用软件,建立完整的颅颌面三维有限元模型.根据前牵引矫治器反作用力原理,直接在颏部中央的最下方施加与(牙合)平面成后上22°～49°(每隔3°取1个角度)的载荷,大小为5N,测定颌骨尤其是颞下颌关节的应力及位移变化.结果 在不同角度施加相同载荷时,上颌骨产生接触应力,加载角度由22°增大到40°时,颞下颌关节窝内应力逐渐下降,加载角度由40°增大至49°时,颞下颌关节窝内应力略有增大;下颌骨同样产生接触应力,髁突头应力随加载角度增大而减小(由0.405 MPa减小至0.037 MPa),髁突颈部随加载角度的增大呈先降后增的趋势.载荷与(牙合)平面呈后上40°时颞下颌关节区受力最小(0.018 ～0.327 MPa).三维有限元模型上各节点X轴位移均为正值,且随加载角度增大而减小;Y轴位移出现负值,从40°开始变为正值,即载荷加载角度小于40°时下颌骨发生后下旋转.载荷与(牙合)平面呈40°时颞下颌关节区位移值较小(0.0005 ～0.0081 mm).结论 前牵引矫治作用于颏部的反作用力在与(牙合)平面成后上40°时传导至颞下颌关节区的应力值和位移值均较小,有利于关节组织的健康.%Objective To analyze the influence of different reactive force direction of protractions on temporomandibular joint (TMJ) by establishing a three-dimensional finite element model (FEM) of craniomaxillofacial complex.Methods The CT image of the head of a healthy young male volunteer was obtained.With the help of Mimics software,we established a three-dimensional finite element model of craniomaxillofacial complex which included TMJ.The force pattern of maxillary protraction appliance
Three-dimensional analysis of craniofacial bones using three-dimensional computer tomography
Ono, Ichiro; Ohura, Takehiko; Kimura, Chu (Hokkaido Univ., Sapporo (Japan). School of Medicine) (and others)
1989-08-01
Three-dimensional computer tomography (3DCT) was performed in patients with various diseases to visualize stereoscopically the deformity of the craniofacial bones. The data obtained were analyzed by the 3DCT analyzing system. A new coordinate system was established using the median sagittal plane of the face (a plane passing through sella, nasion and basion) on the three-dimensional image. Three-dimensional profilograms were prepared for detailed analysis of the deformation of craniofacial bones for cleft lip and palate, mandibular prognathia and hemifacial microsomia. For patients, asymmetry in the frontal view and twist-formed complicated deformities were observed, as well as deformity of profiles in the anteroposterior and up-and-down directions. A newly developed technique allows three-dimensional visualization of changes in craniofacial deformity. It would aid in determining surgical strategy, including crani-facial surgery and maxillo-facial surgery, and in evaluating surgical outcome. (N.K.).
Three-Dimensional Complex Variables
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.
Two-Dimensional NMR Lineshape Analysis
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.
Localized shear generates three-dimensional transport
Smith, Lachlan D.; Rudman, Murray; Lester, Daniel R.; Metcalfe, Guy
2017-04-01
Understanding the mechanisms that control three-dimensional (3D) fluid transport is central to many processes, including mixing, chemical reaction, and biological activity. Here a novel mechanism for 3D transport is uncovered where fluid particles are kicked between streamlines near a localized shear, which occurs in many flows and materials. This results in 3D transport similar to Resonance Induced Dispersion (RID); however, this new mechanism is more rapid and mutually incompatible with RID. We explore its governing impact with both an abstract 2-action flow and a model fluid flow. We show that transitions from one-dimensional (1D) to two-dimensional (2D) and 2D to 3D transport occur based on the relative magnitudes of streamline jumps in two transverse directions.
Multi-Dimensional Recurrent Neural Networks
Graves, Alex; Schmidhuber, Juergen
2007-01-01
Recurrent neural networks (RNNs) have proved effective at one dimensional sequence learning tasks, such as speech and online handwriting recognition. Some of the properties that make RNNs suitable for such tasks, for example robustness to input warping, and the ability to access contextual information, are also desirable in multidimensional domains. However, there has so far been no direct way of applying RNNs to data with more than one spatio-temporal dimension. This paper introduces multi-dimensional recurrent neural networks (MDRNNs), thereby extending the potential applicability of RNNs to vision, video processing, medical imaging and many other areas, while avoiding the scaling problems that have plagued other multi-dimensional models. Experimental results are provided for two image segmentation tasks.
Finite dimensional quadratic Lie superalgebras
Jarvis, Peter; Yates, Luke
2010-01-01
We consider a special class of Z_2-graded, polynomial algebras of degree 2, which we call quadratic Lie superalgebras. Starting from the formal definition, we discuss the generalised Jacobi relations in the context of the Koszul property, and give a proof of the PBW basis theorem. We give several concrete examples of quadratic Lie superalgebras for low dimensional cases, and discuss aspects of their structure constants for the `type I' class. Based on the factorisation of the enveloping algebra, we derive the Kac module construction for typical and atypical modules, and a related direct construction of irreducible modules due to Gould. We investigate the method for one specific case, the quadratic generalisation gl_2(n/1) of the Lie superalgebra sl(n/1). We formulate the general atypicality conditions at level 1, and present an analysis of zero-and one-step atypical modules for a certain family of Kac modules.
Skupsky, S.
2003-10-01
Direct drive offers the potential of higher target gain on the National Ignition Facility (NIF) than x-ray drive: The initial direct-drive target design had a 1-D gain of 45 and consisted primarily of a pure cryogenic DT shell. Using the expected levels of target and laser nonuniformities for the NIF, two-dimensional (2-D) hydrodynamic simulations predicted target gains around 30.(P.W. McKenty et al.), Phys. Plasmas 8, 2315 (2001). More-recent designs have shown that higher target gains could be obtained by replacing a portion of the DT shell with ``wetted'' CH foam and by using adiabat shaping: (1) Higher-Z material (C) in the foam increases laser absorption by about 40% (from 60% absorption to 85%).(S. Skupsky et al.), in Inertial Fusion Sciences and Applications 2001, edited by K. Tanaka et al. (Elsevier, Paris, 2002), p. 240. (2) Adiabat shaping allows the main portion of the fuel to be placed on a lower adiabat without compromising target stability.(V.N. Goncharov et al.), Phys. Plasmas 10, 1906 (2003). These direct-drive concepts can be tested on the NIF, long before that facility is converted to a direct-drive (spherically symmetric) irradiation configuration. Using the NIF x-ray-drive beam configuration, some of the near-polar beams could be pointed to better illuminate the target's equator. These more-oblique, equatorial beams will have lower absorption and reduced drive efficiency than the polar beams. One strategy to compensate for the difference in polar and equatorial drive is to reduce the irradiation at the poles and employ different pulse shapes to accommodate the time-dependent variations in drive and absorption. This concept of polar direct drive (PDD) has been studied using the 2-D hydrocode DRACO to determine the requirements for achieving ignition and moderate target gain for the NIF. Experiments on the OMEGA laser will examine the effects of oblique irradiation on target drive. Results of simulations for different direct-drive target designs
Bruce, Duncan W; O'Hare, Dermot
2010-01-01
With physical properties that often may not be described by the transposition of physical laws from 3D space across to 2D or even 1D space, low-dimensional solids exhibit a high degree of anisotropy in the spatial distribution of their chemical bonds. This means that they can demonstrate new phenomena such as charge-density waves and can display nanoparticulate (0D), fibrous (1D) and lamellar (2D) morphologies. Low-Dimensional Solids presents some of the most recent research into the synthesis and properties of these solids and covers: Metal Oxide Nanoparticles; Inorganic Nanotubes and Nanowir
Dimensional Metrology for Microtechnology
Bariani, Paolo
2005-01-01
of the (large) CMM positioning errors. A geometrical (three dimensional) model, for the Large range AFM was produced and calibration issues discussed following the three dimensional approach. Furthermore, a novel measuring procedure, based on two images, for eliminating the effects of vertical drift...... of one percent, with this instrument. Uncertainty is dominated by residual non linearity after off line correction. SEM based stereo-photogrammetry was also studied. A commercially available software package was purchased. The working hypothesis for the package in use was eucentric tilting. This is only...
Three-dimensional photovoltaics
Myers, Bryan; Bernardi, Marco; Grossman, Jeffrey C.
2010-03-01
The concept of three-dimensional (3D) photovoltaics is explored computationally using a genetic algorithm to optimize the energy production in a day for arbitrarily shaped 3D solar cells confined to a given area footprint and total volume. Our simulations demonstrate that the performance of 3D photovoltaic structures scales linearly with height, leading to volumetric energy conversion, and provides power fairly evenly throughout the day. Furthermore, we show that optimal 3D shapes are not simple box-like shapes, and that design attributes such as reflectivity can be optimized in new ways using three-dimensionality.
康英伟; 李俊; 曹广益; 屠恒勇; 李箭; 杨杰
2009-01-01
This article aims to investigate the transient behavior of a planar direct intemal reibrming solid oxide fucl ccll(DIR-SOFC)comprehensively..A one.dimensional dynamic model of a planar DIR-SOFC is first developed based on mass and energy balances,and electrochemicaI principles.Further,a solution strategY is presented to solve the model,and the InternationaI Energy Agency(IEA)benchmark test is used to validate the model.Then,through model-based simulations,the steady-state performance of a co-flow planar DIR-SOFC under specified initial operating conditions and its dynam ic response to introduced operating paramcter disturbances are studlcd.The dynamic responses of important SOFC variables,such as cell temperature,current density,and cell voltage are all investigated when the SOFC is subjected to the step-changes in various operating parameters including both the load current and the inlet fuel and air flow rates.The results indicate that the rapid dynamics of the current density and the cell voltage arc mainly influenced by the gas composition,particularly the H2 molar fraction in anodc gas channels,while their slow dynamics are both dominated by the SOLID(including the PEN and interconnects)temperature.As the load current increases.the SOLID temperature and the maximum SOLlD temperature gradient both increase,and thereby,the eell breakdown is apt to occur because of excessive thermal stresses.Changing the lnlet fuel flow rate might lcad to the change in the anode gas composition and the consequent change in thc currcnt dcnsity distribution and eell voltage.The inlet air flow rate has a great impact on the cell temperature distribution along the cell,and thus,is a suitable manipulated variable to control the cell temperature.
Dimensionality influence on passive scalar transport
Iovieno, M; Ducasse, L; Tordella, D, E-mail: michele.iovieno@polito.it [Dipartimento di Ingegneria Aeronautica e Spaziale, Politecnico di Torino (Italy)
2011-12-22
We numerically investigate the advection of a passive scalar through an interface placed inside a decaying shearless turbulent mixing layer. We consider the system in both two and three dimensions. The dimensionality produces a different time scaling of the diffusion, which is faster in the two-dimensional case. Two intermittent fronts are generated at the margins of the mixing layer. During the decay these fronts present a sort of propagation in both the direction of the scalar flow and the opposite direction. In two dimensions, the propagation of the fronts exhibits a significant asymmetry with respect to the initial position of the interface and is deeper for the front merged in the high energy side of the mixing. In three dimensions, the two fronts remain nearly symmetrically placed. Results concerning the scalar spectra exponents are also presented.
Dimensionality Reduction Mappings
Bunte, Kerstin; Biehl, Michael; Hammer, Barbara
2011-01-01
A wealth of powerful dimensionality reduction methods has been established which can be used for data visualization and preprocessing. These are accompanied by formal evaluation schemes, which allow a quantitative evaluation along general principles and which even lead to further visualization schem
Larsen, Mihail
De fire dimensioner er en humanistisk håndbog beregnet især på studerende og vejledere inden for humaniora, men kan også læses af andre med interesse for, hvad humanistisk forskning er og kan. Den er blevet til over et langt livs engageret forskning, uddannelse og formidling på Roskilde Universitet...... og udgør på den måde også et bidrag til universitetets historie, som jeg var med til at grundlægge. De fire dimensioner sætter mennesket i centrum. Men det er et centrum, der peger ud over sig selv; et centrum, hvorfra verden anskues, erfares og forstås. Alle mennesker har en forhistorie og en...... fremtid, og udstrakt mellem disse punkter i tiden tænker og handler de i rummet. Den menneskelige tilværelse omfatter alle fire dimensioner. De fire dimensioner udgør derfor også et forsvar for en almen dannelse, der gennemtrænger og kommer kulturelt til udtryk i vores historie, viden, praksis og kunst....
Larsen, Mihail
De fire dimensioner er en humanistisk håndbog beregnet især på studerende og vejledere inden for humaniora, men kan også læses af andre med interesse for, hvad humanistisk forskning er og kan. Den er blevet til over et langt livs engageret forskning, uddannelse og formidling på Roskilde Universitet...... og udgør på den måde også et bidrag til universitetets historie, som jeg var med til at grundlægge. De fire dimensioner sætter mennesket i centrum. Men det er et centrum, der peger ud over sig selv; et centrum, hvorfra verden anskues, erfares og forstås. Alle mennesker har en forhistorie og en...... fremtid, og udstrakt mellem disse punkter i tiden tænker og handler de i rummet. Den menneskelige tilværelse omfatter alle fire dimensioner. De fire dimensioner udgør derfor også et forsvar for en almen dannelse, der gennemtrænger og kommer kulturelt til udtryk i vores historie, viden, praksis og kunst....
张永刚; 张扬; 张丽娟
2014-01-01
直接铜盐蓝2R具有典型的染料分子所具备的偶氮键发色基团及羟基、氨基等助色基团。实验以活性氧化铝为载体硝酸铜溶液为前躯体，通过浸渍焙烧法制得催化性能良好的CuO/γ-Al2O3颗粒，以此作为三维电极体系内填充粒子。通过自制三维电极反应器采用间歇的实验方式处理不同浓度的直接铜盐蓝2R染料废水，对反应后废水进行UV-Vis，FTIR，COD，氨氮和色度测定以反映处理效果。FTIR前后对比结果表明，反应使得苯环和萘环上的C-N断裂，形成了磺酸基和羟基1，4取代的萘环结构，偶氮结构连接的苯环醚的中间产物。 UV-Vis结果显示反应后的溶液紫外特征吸收峰消失，表明体系对该染料脱色效果明显。%Direct copper blue 2R has the typical chromophoric group of dye such as azo linkage and auxochrome group such as hydroxy and amino. Electrocatalytic oxidation of direct copper blue 2R was investigated in the presence of copper oxide supported on γ-Al2O3 as particle electrodes which was made by method of Impregnation Calcination. The particles were filled in the three-dimensional electrode system. Batch-type study was carried on the homemade reactor to degradation kinds of concentration. The FTIR results indicated the C-N bond of benzene ring and naphthalene nucleus was broken, which formed intermediate products structure of Naphthalene ring 1, 4 replaced by sulfonic acid group and hydroxy connected the azo. The UV-Vis results indicated the characteristics of ultraviolet absorption peak of organics disappeared which meant dyes decolorizing effect of this system was obvious.
Three-Dimensional Printing in Orthopedic Surgery.
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.
Three-Dimensional Ocean Noise Modeling
2015-03-01
particular attention paid to the case of Gaussian canyon . The solution to the three-dimensional wave equation in Cartesian co-ordinates can be written...in terms of a modal decomposition, carried out in the vertical and across- canyon horizontal directions. Work Completed 1. Nx2D and 3D Noise PE...azimuth in the Hudson Canyon [Figure 2). Additionally, the PE-reciprocity noise model was used to estimate the size, speed and distance from the
Three-dimensional modes of a symmetric nonlinear plane waveguide
Akhmediev, N. N.; Nabiev, R. F.; Popov, Yu. M.
1989-01-01
The three-dimensional problem of a symmetric nonlinear plane waveguide, which consist of a linear medium layer surrounded by nonlinear media, is investigated. The stationary solution of this problem is a mode whose field is falling to zero at infinity in all directions perpendicular to the propagation direction. The even, odd and assymetrical solutions of the problem are obtained.
Three-dimensional volume containing multiple two-dimensional information patterns
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.
Two-dimensional behavior of three-dimensional magnetohydrodynamic flow with a strong guiding field.
Alexakis, Alexandros
2011-11-01
The magnetohydrodynamic (MHD) equations in the presence of a guiding magnetic field are investigated by means of direct numerical simulations. The basis of the investigation consists of nine runs forced at the small scales. The results demonstrate that for a large enough uniform magnetic field the large scale flow behaves as a two-dimensional (2D) (non-MHD) fluid exhibiting an inverse cascade of energy in the direction perpendicular to the magnetic field, while the small scales behave like a three-dimensional (3D) MHD fluid cascading the energy forwards. The amplitude of the inverse cascade is sensitive to the magnetic field amplitude, the domain size, the forcing mechanism, and the forcing scale. All these dependences are demonstrated by the varying parameters of the simulations. Furthermore, in the case that the system is forced anisotropically in the small parallel scales an inverse cascade in the parallel direction is observed that is feeding the 2D modes k(//)=0.
Dimensional characteristics of low-dimensional structures
Blood, Peter
2000-07-01
The purpose of this paper is to examine the dimensional aspects of the optical properties of quantum well and dot systems, without assuming that the carriers are localized to the geometrical extent of the confining potential. We show that optical absorption normal to the plane of a well cannot be expressed as an absorption coefficient but should be specified as a fraction of light transmitted or absorbed per well. The modal gain for light propagating along the plane of a well does not scale with well width and the variation of the material gain inversely proportional to the well width is a consequence of the definition of the confinement factor and has no independent physical significance. Optical absorption by quantum dots should be expressed as a cross section per dot. The radiative recombination rate is correctly expressed in terms of a 2D recombination coefficient and use of an equivalent 3D coefficient introduces an artificial dependence on well width which can lead to errors in the comparison of quantum well systems.
Two-dimensional optical spectroscopy
Cho, Minhaeng
2009-01-01
Discusses the principles and applications of two-dimensional vibrational and optical spectroscopy techniques. This book provides an account of basic theory required for an understanding of two-dimensional vibrational and electronic spectroscopy.
Dimensionally regulated pentagon integrals
Bern, Z; Kosower, D A
1994-01-01
We present methods for evaluating the Feynman parameter integrals associated with the pentagon diagram in 4-2 epsilon dimensions, along with explicit results for the integrals with all masses vanishing or with one non-vanishing external mass. The scalar pentagon integral can be expressed as a linear combination of box integrals, up to O(epsilon) corrections, a result which is the dimensionally-regulated version of a D=4 result of Melrose, and of van Neerven and Vermaseren. We obtain and solve differential equations for various dimensionally-regulated box integrals with massless internal lines, which appear in one-loop n-point calculations in QCD. We give a procedure for constructing the tensor pentagon integrals needed in gauge theory, again through O(epsilon^0).
Kerstein, A.R. [Sandia National Lab., Livermore, CA (United States)
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.
Dimensional analysis for engineers
Simon, Volker; Gomaa, Hassan
2017-01-01
This monograph provides the fundamentals of dimensional analysis and illustrates the method by numerous examples for a wide spectrum of applications in engineering. The book covers thoroughly the fundamental definitions and the Buckingham theorem, as well as the choice of the system of basic units. The authors also include a presentation of model theory and similarity solutions. The target audience primarily comprises researchers and practitioners but the book may also be suitable as a textbook at university level.
Gold nanocrystals with DNA-directed morphologies
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.
3 - Dimensional Body Measurement Technology
ZHOU Xu-dong; LI Yan-mei
2002-01-01
3 - dimensional body measurement technology, the basis of developing high technology in industry, accelerates digital development of aplparel industry. This paper briefly introduces the history of 3 - dimensional body measurement technology, and recounts the principle and primary structure of some types of 3 - dimensional automatic body measurement system. With this understanding, it discusses prospect of 3- dimensional CAD and virtual technology used in apparel industry.
Friederike Helm
2016-05-01
Full Text Available Dimensional comparison theory (DCT defines dimensional comparisons as intraindividual comparisons that a person draws between his or her own achievements in two domains or subjects. DCT assumes that dimensional comparisons influence students’ academic self-concepts, causing stronger self-concept differences between subjects perceived as dissimilar, such as math and English, than between subjects perceived as more similar, like math and physics. However, there have been no experimental studies testing the causal effect of perceived subject similarity on domain-specific self-concepts. In the present research, three experimental studies analyzed the effects of experimentally induced higher or lower perceived subject similarity on academic self-concept differences: Study 1 (N = 351, with math and German; Study 2a (N = 148, with math and physics; and Study 2b (N = 161, with English and German, show that, in line with expectations, induced lower perceived subject similarity led to stronger self-concept differences than did higher perceived similarity. Some implications of the results for DCT are discussed.
Method of dimensionality reduction in contact mechanics and friction
Popov, Valentin L
2015-01-01
This book describes for the first time a simulation method for the fast calculation of contact properties and friction between rough surfaces in a complete form. In contrast to existing simulation methods, the method of dimensionality reduction (MDR) is based on the exact mapping of various types of three-dimensional contact problems onto contacts of one-dimensional foundations. Within the confines of MDR, not only are three dimensional systems reduced to one-dimensional, but also the resulting degrees of freedom are independent from another. Therefore, MDR results in an enormous reduction of the development time for the numerical implementation of contact problems as well as the direct computation time and can ultimately assume a similar role in tribology as FEM has in structure mechanics or CFD methods, in hydrodynamics. Furthermore, it substantially simplifies analytical calculation and presents a sort of “pocket book edition” of the entirety contact mechanics. Measurements of the rheology of bodies in...
Strongly Zero-Dimensional Locales
KOU Hui; LUO Mao Kang
2002-01-01
New kinds of strongly zero-dimensional locales are introduced and characterized, whichare different from Johnstone's, and almost all the topological properties for strongly zero-dimensionalspaces have the pointless localic forms. Particularly, the Stone-Cech compactification of a stronglyzero-dimensional locale is stongly zero-dimensional.
One-Dimensionality and Whiteness
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…
One-Dimensionality and Whiteness
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…