Two-dimensional NMR spectrometry
International Nuclear Information System (INIS)
Farrar, T.C.
1987-01-01
This article is the second in a two-part series. In part one (ANALYTICAL CHEMISTRY, May 15) the authors discussed one-dimensional nuclear magnetic resonance (NMR) spectra and some relatively advanced nuclear spin gymnastics experiments that provide a capability for selective sensitivity enhancements. In this article and overview and some applications of two-dimensional NMR experiments are presented. These powerful experiments are important complements to the one-dimensional experiments. As in the more sophisticated one-dimensional experiments, the two-dimensional experiments involve three distinct time periods: a preparation period, t 0 ; an evolution period, t 1 ; and a detection period, t 2
Two dimensional solid state NMR
International Nuclear Information System (INIS)
Kentgens, A.P.M.
1987-01-01
This thesis illustrates, by discussing some existing and newly developed 2D solid state experiments, that two-dimensional NMR of solids is a useful and important extension of NMR techniques. Chapter 1 gives an overview of spin interactions and averaging techniques important in solid state NMR. As 2D NMR is already an established technique in solutions, only the basics of two dimensional NMR are presented in chapter 2, with an emphasis on the aspects important for solid spectra. The following chapters discuss the theoretical background and applications of specific 2D solid state experiments. An application of 2D-J resolved NMR, analogous to J-resolved spectroscopy in solutions, to natural rubber is given in chapter 3. In chapter 4 the anisotropic chemical shift is mapped out against the heteronuclear dipolar interaction to obtain information about the orientation of the shielding tensor in poly-(oxymethylene). Chapter 5 concentrates on the study of super-slow molecular motions in polymers using a variant of the 2D exchange experiment developed by us. Finally chapter 6 discusses a new experiment, 2D nutation NMR, which makes it possible to study the quadrupole interaction of half-integer spins. 230 refs.; 48 figs.; 8 tabs
International Nuclear Information System (INIS)
Neumann, J.M.; Macquaire, F.
1991-01-01
This report presents the elementary bases for an initiation to the conformational study of peptides and proteins by using two-dimensional proton NMR experiments. First, some general features of protein structures are summarized. A second chapter is devoted to the basic NMR experiments and to the spectral parameters which provide a structural information. This description is illustrated by NMR spectra of peptides. The third chapter concerns the most standard two-dimensional proton NMR experiments and their use for a conformational study of peptides and proteins. Lastly, an example of NMR structural investigation of a peptide is reported [fr
Development of Two-Dimensional NMR
Indian Academy of Sciences (India)
Home; Journals; Resonance – Journal of Science Education; Volume 20; Issue 11. Development of Two-Dimensional NMR: Strucure Determination of Biomolecules in Solution. Anil Kumar. General Article Volume 20 Issue 11 November 2015 pp 995-1002 ...
Two dimensional NMR studies of polysaccharides
International Nuclear Information System (INIS)
Byrd, R.A.; Egan, W.; Summers, M.F.
1987-01-01
Polysaccharides are very important components in the immune response system. Capsular polysaccharides and lipopolysaccharides occupy cell surface sites of bacteria, play key roles in recognition and some have been used to develop vaccines. Consequently, the ability to determine chemical structures of these systems is vital to an understanding of their immunogenic action. The authors have been utilizing recently developed two-dimensional homonuclear and heteronuclear correlation spectroscopy for unambiguous assignment and structure determination of a number of polysaccharides. In particular, the 1 H-detected heteronuclear correlation experiments are essential to the rapid and sensitive determination of these structures. Linkage sites are determined by independent polarization transfer experiments and multiple quantum correlation experiments. These methods permit the complete structure determination on very small amounts of the polysaccharides. They present the results of a number of structural determinations and discuss the limits of these experiments in terms of their applications to polysaccharides
Two-dimensional NMR spectroscopy. Applications for chemists and biochemists
International Nuclear Information System (INIS)
Croasmun, W.R.; Carlson, R.M.K.
1987-01-01
Two-dimensional nuclear magnetic resonance spectroscopy (2-D NMR) has become a very powerful class of experiments (in the hands of an adept scientist) with broad adaptability to new situations. It is the product of a happy marriage between modern pulse FT-NMR technology, with its large memory and high-speed computers, and the physicists and chemists who love to manipulate spin systems. Basic 2-D experiments are now a standard capability of modern NMR spectrometers, and this timely book intends to make 2-D NMR users of those who are familiar with normal 1-D NMR. The 2-D NMR goal is correlation of the lines of the observed NMR spectrum with other properties of the system. This book deals with applications to high-resolution spectrum analysis, utilizing either coupling between the NMR-active nuclei or chemical exchange to perform the correlation. The coupling can be scalar (through bonds) or direct through space (within 5 A). The coupling may be homonuclear (between like nuclei) or heteronuclear
Two-dimensional NMR studies of allyl palladium complexes of ...
Indian Academy of Sciences (India)
Administrator
h3-Allyl complexes are intermediates in organic synthetic reactions such as allylic alkylation and amination. There is growing interest in understanding the structures of chiral h3-allyl intermediates as this would help to unravel the mechanism of enantioselective C–C bond forming reactions. Two-dimensional NMR study is a.
Two dimensional NMR of liquids and oriented molecules
International Nuclear Information System (INIS)
Gochin, M.
1987-02-01
Chapter 1 discusses the quantum mechanical formalism used for describing the interaction between magnetic dipoles that dictates the appearance of a spectrum. The NMR characteristics of liquids and liquid crystals are stressed. Chapter 2 reviews the theory of multiple quantum and two dimensional NMR. Properties of typical spectra and phase cycling procedures are discussed. Chapter 3 describes a specific application of heteronuclear double quantum coherence to the removal of inhomogeneous broadening in liquids. Pulse sequences have been devised which cancel out any contribution from this inhomogeneity to the final spectrum. An interpretation of various pulse sequences for the case of 13 C and 1 H is given, together with methods of spectral editing by removal or retention of the homo- or heteronuclear J coupling. The technique is applied to a demonstration of high resolution in both frequency and spatial dimensions with a surface coil. In Chapter 4, multiple quantum filtered 2-D spectroscopy is demonstrated as an effective means of studying randomly deuterated molecules dissolved in a nematic liquid crystal. Magnitudes of dipole coupling constants have been determined for benzene and hexane, and their signs and assignments found from high order multiple quantum spectra. For the first time, a realistic impression of the conformation of hexane can be estimated from these results. Chapter 5 is a technical description of the MDB DCHIB-DR11W parallel interface which has been set up to transfer data between the Data General Nova 820 minicomputer, interfaced to the 360 MHz spectrometer, and the Vax 11/730. It covers operation of the boards, physical specifications and installation, and programs for testing and running the interface
Two dimensional NMR of liquids and oriented molecules
Energy Technology Data Exchange (ETDEWEB)
Gochin, M.
1987-02-01
Chapter 1 discusses the quantum mechanical formalism used for describing the interaction between magnetic dipoles that dictates the appearance of a spectrum. The NMR characteristics of liquids and liquid crystals are stressed. Chapter 2 reviews the theory of multiple quantum and two dimensional NMR. Properties of typical spectra and phase cycling procedures are discussed. Chapter 3 describes a specific application of heteronuclear double quantum coherence to the removal of inhomogeneous broadening in liquids. Pulse sequences have been devised which cancel out any contribution from this inhomogeneity to the final spectrum. An interpretation of various pulse sequences for the case of /sup 13/C and /sup 1/H is given, together with methods of spectral editing by removal or retention of the homo- or heteronuclear J coupling. The technique is applied to a demonstration of high resolution in both frequency and spatial dimensions with a surface coil. In Chapter 4, multiple quantum filtered 2-D spectroscopy is demonstrated as an effective means of studying randomly deuterated molecules dissolved in a nematic liquid crystal. Magnitudes of dipole coupling constants have been determined for benzene and hexane, and their signs and assignments found from high order multiple quantum spectra. For the first time, a realistic impression of the conformation of hexane can be estimated from these results. Chapter 5 is a technical description of the MDB DCHIB-DR11W parallel interface which has been set up to transfer data between the Data General Nova 820 minicomputer, interfaced to the 360 MHz spectrometer, and the Vax 11/730. It covers operation of the boards, physical specifications and installation, and programs for testing and running the interface.
Application of CRAFT in two-dimensional NMR data processing.
Krishnamurthy, Krish; Sefler, Andrea M; Russell, David J
2017-03-01
Two-dimensional (2D) data are typically truncated in both dimensions, but invariably and severely so in the indirect dimension. These truncated FIDs and/or interferograms are extensively zero filled, and Fourier transformation of such zero-filled data is always preceded by a rapidly decaying apodization function. Hence, the frequency line width in the spectrum (at least parallel to the evolution dimension) is almost always dominated by the apodization function. Such apodization-driven line broadening in the indirect (t 1 ) dimension leads to the lack of clear resolution of cross peaks in the 2D spectrum. Time-domain analysis (i.e. extraction of frequency, amplitudes, line width, and phase parameters directly from the FID, in this case via Bayesian modeling into a tabular format) of NMR data is another approach for spectral resonance characterization and quantification. The recently published complete reduction to amplitude frequency table (CRAFT) technique converts the raw FID data (i.e. time-domain data) into a table of frequencies, amplitudes, decay rate constants, and phases. CRAFT analyses of time-domain data require minimal or no apodization prior to extraction of the four parameters. We used the CRAFT processing approach for the decimation of the interferograms and compared the results from a variety of 2D spectra against conventional processing with and without linear prediction. The results show that use of the CRAFT technique to decimate the t 1 interferograms yields much narrower spectral line width of the resonances, circumventing the loss of resolution due to apodization. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.
Two-dimensional NMR spectroscopy of 13C methanol at less than 5 μT
Shim, Jeong Hyun; Lee, Seong-Joo; Hwang, Seong-min; Yu, Kwon-Kyu; Kim, Kiwoong
2014-09-01
Two-dimensional (2D) spectroscopy is one of the most significant applications of nuclear magnetic resonance (NMR). Here, we demonstrate that the 2D NMR can be performed even at a low magnetic field of less than 5 μT, which is ten times less than the Earth’s magnetic field. The pulses used in the experiment were composed of circularly polarized fields for coherent as well as wideband excitations. Since the excitation band covers the entire spectral range, the simplest two-pulse sequence delivered the full 2D spectrum. At 5 μT, methanol with 13C enriched up to 99% belongs to a strongly coupled regime, and thus its 2D spectrum exhibits complicated spectral correlations, which can be exploited as a fingerprint in chemical analysis. In addition, we show that, with compressive sensing, the acquisition of the 2D spectrum can be accelerated to take only 45% of the overall duration.
International Nuclear Information System (INIS)
Gesell, Jennifer; Zasloff, Michael; Opella, Stanley J.
1997-01-01
Magainin2 is a 23-residue antibiotic peptide that disrupts the ionic gradient across certain cell membranes. Two-dimensional 1H NMR spectroscopy was used to investigate the structure of the peptide in three of the membrane environments most commonly employed in biophysical studies. Sequence-specific resonance assignments were determined for the peptide in perdeuterated dodecylphosphocholine (DPC) and sodium dodecylsulfate micelles and confirmed for the peptide in 2,2,2-trifluoroethanol solution. The secondary structure is shown to be helical in all of the solvent systems. The NMR data were used as a set of restraints for a simulated annealing protocol that generated a family of three-dimensional structures of the peptide in DPC micelles, which superimposed best between residues 4 and 20. For these residues, the mean pairwise rms difference for the backbone atoms is 0.47 ± 0.10A from the average structure. The calculated peptide structures appear to be curved,with the bend centered at residues Phe12 and Gly13
Two-dimensional NMR spectroscopy strongly enhances soil organic matter composition analysis
Soucemarianadin, Laure; Erhagen, Björn; Öquist, Mats; Nilsson, Mats; Hedenström, Mattias; Schleucher, Jürgen
2016-04-01
Soil organic matter (SOM) is the largest terrestrial carbon pool and strongly affects soil properties. With climate change, understanding SOM processes and turnover and how they could be affected by increasing temperatures becomes critical. This is particularly key for organic soils as they represent a huge carbon pool in very sensitive ecosystems, like boreal ecosystems and peatlands. Nevertheless, characterization of SOM molecular composition, which is essential to elucidate soil carbon processes, is not easily achieved, and further advancements in that area are greatly needed. Solid-state one-dimensional (1D) 13C nuclear magnetic resonance (NMR) spectroscopy is often used to characterize its molecular composition, but only provides data on a few major functional groups, which regroup many different molecular fragments. For instance, in the carbohydrates region, signals of all monosaccharides present in many different polymers overlap. This overlap thwarts attempts to identify molecular moieties, resulting in insufficient information to characterize SOM composition. Here we show that two-dimensional (2D) liquid-state 1H-13C NMR spectra provided much richer data on the composition of boreal plant litter and organic surface soil. The 2D spectra indeed resolved overlaps observed in 1D 13C spectra and displayed signals from hundreds of identifiable molecular groups. For example, in the aromatics region, signals from individual lignin units could be recognized. It was hence possible to follow the fate of specific structural moieties in soils. We observed differences between litter and soil samples, and were able to relate them to the decomposition of identifiable moieties. Sample preparation and data acquisition were both simple and fast. Further, using multivariate data analysis, we aimed at linking the detailed chemical fingerprints of SOM to turnover rates in a soil incubation experiment. With the multivariate models, we were able to identify specific molecular
Solution structures of α-conotoxin G1 determined by two-dimensional NMR spectroscopy
International Nuclear Information System (INIS)
Pardi, A.; Galdes, A.; Florance, J.; Maniconte, D.
1989-01-01
Two-dimensional NMR data have been used to generate solution structures of α-conotoxin G1, a potent peptide antagonist of the acetylcholine receptor. Structural information was obtained in the form of proton-proton internuclear distance constraints, and initial structures were produced with a distance geometry algorithm. Energetically more favorable structures were generated by using the distance geometry structures as input for a constrained energy minimization program. The results of both of these calculations indicate that the overall backbone conformation of the molecule is well-defined by the NMR data whereas the side-chain conformations are generally less well-defined. The main structural features derived from the NMR data were the presence of tight turns centered on residues Pro 5 and Arg 9 . The solution structures are compared with previous proposed models of conotoxin G1, and the NMR data are interpreted in conjunction with chemical modification studies and structural properties of other antagonists of the acetylcholine receptor to gain insight into structure-activity relationships in these peptide toxins
Energy Technology Data Exchange (ETDEWEB)
Walder, Brennan J.; Davis, Michael C.; Grandinetti, Philip J. [Department of Chemistry, Ohio State University, 100 West 18th Avenue, Columbus, Ohio 43210 (United States); Dey, Krishna K. [Department of Physics, Dr. H. S. Gour University, Sagar, Madhya Pradesh 470003 (India); Baltisberger, Jay H. [Division of Natural Science, Mathematics, and Nursing, Berea College, Berea, Kentucky 40403 (United States)
2015-01-07
A new two-dimensional Nuclear Magnetic Resonance (NMR) experiment to separate and correlate the first-order quadrupolar and chemical/paramagnetic shift interactions is described. This experiment, which we call the shifting-d echo experiment, allows a more precise determination of tensor principal components values and their relative orientation. It is designed using the recently introduced symmetry pathway concept. A comparison of the shifting-d experiment with earlier proposed methods is presented and experimentally illustrated in the case of {sup 2}H (I = 1) paramagnetic shift and quadrupolar tensors of CuCl{sub 2}⋅2D{sub 2}O. The benefits of the shifting-d echo experiment over other methods are a factor of two improvement in sensitivity and the suppression of major artifacts. From the 2D lineshape analysis of the shifting-d spectrum, the {sup 2}H quadrupolar coupling parameters are 〈C{sub q}〉 = 118.1 kHz and 〈η{sub q}〉 = 0.88, and the {sup 2}H paramagnetic shift tensor anisotropy parameters are 〈ζ{sub P}〉 = − 152.5 ppm and 〈η{sub P}〉 = 0.91. The orientation of the quadrupolar coupling principal axis system (PAS) relative to the paramagnetic shift anisotropy principal axis system is given by (α,β,γ)=((π)/2 ,(π)/2 ,0). Using a simple ligand hopping model, the tensor parameters in the absence of exchange are estimated. On the basis of this analysis, the instantaneous principal components and orientation of the quadrupolar coupling are found to be in excellent agreement with previous measurements. A new point dipole model for predicting the paramagnetic shift tensor is proposed yielding significantly better agreement than previously used models. In the new model, the dipoles are displaced from nuclei at positions associated with high electron density in the singly occupied molecular orbital predicted from ligand field theory.
Two-dimensional NMR investigations of the dynamic conformations of phospholipids and liquid crystals
Energy Technology Data Exchange (ETDEWEB)
Hong, Mei [Univ. of California, Berkeley, CA (United States). Applied Science and Technology
1996-05-01
Two-dimensional 13C, 1H, and 31P nuclear magnetic resonance (NMR) techniques are developed and used to study molecular structure and dynamics in liquid-crystalline systems, primarily phospholipids and nematic liquid crystals. NMR spectroscopy characterizes molecular conformation in terms of orientations and distances of molecular segments. In anisotropically mobile systems, this is achieved by measuring motionally-averaged nuclear dipolar couplings and chemical shift anisotropies. The short-range couplings yield useful bond order parameters, while the long-range interactions constrain the overall conformation. In this work, techniques for probing proton dipolar local fields are further developed to obtain highlyresolved dipolar couplings between protons and rare spins. By exploiting variable-angle sample spinning techniques, orientation-sensitive NMR spectra are resolved according to sitespecific isotropic chemical shifts. Moreover, the signs and magnitudes of various short-range dipolar couplings are obtained. They are used in novel theoretical analyses that provide information about segmental orientations and their distributions. Such information is obtained in a model-independent fashion or with physically reasonable assumptions. The structural investigation of phospholipids is focused on the dynam
Novel solution conformation of DNA observed in d(GAATTCGAATTC) by two-dimensional NMR spectroscopy
International Nuclear Information System (INIS)
Chary, K.V.R.; Hosur, R.V.; Govil, G.; Zu-kun, T.; Miles, H.T.
1987-01-01
Resonance assignments of nonexchangeable base and sugar protons of the self-complementary dodecanucleotide d(GAATTCGAATTC) have been obtained by using the two-dimensional Fourier transform NMR methods correlated spectroscopy and nuclear Overhauser effect spectroscopy. Conformational details about the sugar pucker, the glycosidic dihedral angle, and the overall secondary structure of the molecule has been derived from the relative intensities of cross peaks in the two-dimensional NMR spectra in aqueous solution. It is observed that d(GAATTCGAATTC) assumes a novel double-helical structure. The solution conformations of the two complementary strands are identical, unlike those observed in a related sequence in the solid state. Most of the five-membered sugar rings adopt an unusual O1'-endo geometry. All the glycosidic dihedral angles are in the anti domain. The AATT segments A2-T5 and A8-T11 show better stacking compared to the rest of the molecule. These features fit into a right-handed DNA model for the above two segments, with the sugar geometries different from the conventional ones. There are important structural variations in the central TCG portion, which is known to show preferences for DNase I activity, and between G1-A2 and G7-A8, which are cleavage points in the EcoRI recognition sequence. The sugar puckers for G1 and G7 are significantly different from the rest of the molecule. Further, in the three segments mentioned above, the sugar phosphate geometry is such that the distances between protons on adjacent nucleotides are much larger than those expected for a right-handed DNA. The authors suggest that such crevices in the DNA structure may act as hot points in initiation of protein recognition
Uniform and selective deuteration in two-dimensional NMR of proteins
International Nuclear Information System (INIS)
LeMaster, D.M.
1990-01-01
This paper reports on the practicality of isotopic labeling, particularly deuteration, that has received considerable impetus from advances in molecular biology, which have allowed ready production of NMR quantities of labeled proteins. Protein expression in Escherichia coli allows use of the considerable metabolic genetics known for the organism in shaping the biosynthetic process to meet the labeling demands of the NMR experiments. In addition to deuteration's common use in spectral assignment problems, it also offers considerable potential for enhancing the quality of the nuclear Overhauser effect (NOE) distance and dihedral angle constraints used for solution structural analysis of proteins. Recent reviews emphasize the sample preparation and spectral benefits of protein deuteration
Directory of Open Access Journals (Sweden)
Young Kee Chae
Full Text Available Escherichia coli has been the most widely used host to produce large amounts of heterologous proteins. However, given an input plasmid DNA, E. coli may produce soluble protein, produce only inclusion bodies, or yield little or no protein at all. Many efforts have been made to surmount these problems, but most of them have involved time-consuming and labor-intensive trial-and-error. We hypothesized that different metabolomic fingerprints might be associated with different protein production outcomes. If so, then it might be possible to change the expression pattern by manipulating the metabolite environment. As a first step in testing this hypothesis, we probed a subset of the intracellular metabolites by partially labeling it with 13C-glucose. We tested 71 genes and identified 17 metabolites by employing the two-dimensional NMR spectroscopy. The statistical analysis showed that there existed the metabolite compositions favoring protein production. We hope that this work would help devise a systematic and predictive approach to the recombinant protein production.
Image Making in Two Dimensional Art; Experiences with Straw and ...
African Journals Online (AJOL)
Image making in art is professionally referred to as bust in Sculpture andPortraiture in Painting. ... havebeen used to achieve these forms of art; like clay cement, marble, stone,different metals and, fibre glass in the three dimensional form; We also have Pencil, Charcoal Pastel and, Acrylic oil-paint in two dimensional form.
Image Making in Two Dimensional Art; Experiences with Straw and ...
African Journals Online (AJOL)
Image making in art is professionally referred to as bust in Sculpture andPortraiture in Painting. It is an art form executed in three dimensional (3D)and two dimensional (2D) formats respectively. Uncountable materials havebeen used to achieve these forms of art; like clay cement, marble, stone,different metals and, fibre ...
International Nuclear Information System (INIS)
Sivadinarayana, C.; Choudhary, V.R.; Ganapathy, S.
1994-01-01
It is shown that considerable sensitivity enhancement is achieved in the 29 Si magic angle sample spinning (MASS) NMR spectra of highly siliceous zeolites by pre treating the material with oxygen. The presence of adsorbed molecular oxygen in zeolite channels promotes an efficient 29 Si spin-lattice relaxation via a paramagnetic interaction between the lattice 29 Si T-site and the adsorbed oxygen on zeolite channels. This affords an efficient 2-D data collection and leads to increased sensitivity. The utility of this method is demonstrated in a two-dimensional COSY-45 NMR experiment of a high silica zeolite ZSM-5. (author). 20 refs., 3 figs., 1 tab
Soucemarianadin, Laure; Erhagen, Björn; Öquist, Mats; Nilsson, Mats; Schleucher, Jürgen
2015-04-01
Soil organic matter (SOM) represents a huge carbon pool, specifically in boreal ecosystems. Warming-induced release of large amounts of CO2 from the soil carbon pool might become a significant exacerbating feedback to global warming, if decomposition rates of boreal soils were more sensitive to increased temperatures. Despite a large number of studies dedicated to the topic, it has proven difficult to elucidate how the organo-chemical composition of SOM influences its decomposition, or its quality as a substrate for microbial metabolism. A great part of this challenge results from our inability to achieve a detailed characterization of the complex composition of SOM on the level of molecular structural moieties. 13C nuclear magnetic resonance (NMR) spectroscopy is a common tool to characterize SOM. However, SOM is a very complex mixture and the chemical shift regions distinguished in the 13C NMR spectra often represent many different molecular fragments. For example, in the carbohydrates region, signals of all monosaccharides present in many different polymers overlap. This overlap thwarts attempts to identify molecular moieties, resulting in insufficient information to characterize SOM composition. We applied two-dimensional (2D) NMR to characterize SOM with highly increased resolution. We directly dissolved finely ground litters and forest floors'fibric and humic horizons'of both coniferous and deciduous boreal forests in dimethyl sulfoxide and analyzed the resulting solution with a 2D 1H-13C NMR experiment. In the 2D planes of these spectra, signals of CH groups can be resolved based on their 13C and 1H chemical shifts, hence the resolving power and information content of these NMR spectra is hugely increased. The 2D spectra indeed resolved overlaps observed in 1D 13C spectra, so that hundreds of distinct CH groups could be observed and many molecular fragments could be identified. For instance, in the aromatics region, signals from individual lignin units could
Determination of structure of oriented samples using two-dimensional solid state NMR techniques
International Nuclear Information System (INIS)
Jin Hong; Harbison, G.S.
1990-01-01
One dimensional and two-dimensional MAS techniques can give detailed information about the structure and dynamics of oriented systems. We describe the application of such techniques to the liquid-crystalline polymer poly(p-phenyleneterphtalimide) (PPTA), and thence deduce the solid-state structure of the material. (author). 9 refs.; 6 figs
Soucemarianadin, Laure; Erhagen, Björn; Öquist, Mats; Nilsson, Mats; Schleucher, Jürgen
2014-05-01
Environmental factors (e.g. temperature and moisture) and the size and composition of soil microbial populations are often considered the main drivers of soil organic matter (SOM) mineralization. Less consideration is given to the role of SOM as a substrate for microbial metabolism and the importance of the organo-chemical composition of SOM on decomposition. In addition, a fraction of the SOM is often considered as recalcitrant to mineralization leading to accumulation of SOM. However, recently the concept of intrinsic recalcitrance of SOM to mineralization has been questioned. The challenge in investigating the role of SOM composition on its mineralization to a large extent stems from the difficulties in obtaining high resolution characterization of a very complex matrix. 13C nuclear magnetic resonance (NMR) spectroscopy is a widely used tool to characterize SOM. However, SOM is a very complex mixture and in the resulting 13C NMR spectra, the identified functional groups may represent different molecular fragments that appear in the same spectral region leading to broad peaks. These overlaps defy attempts to identify molecular moieties, and this makes it impossible to derive information at a resolution needed for evaluating e.g. recalcitrance of SOM. Here we applied a method, developed in wood science for the pulp paper industry, to achieve a better characterization of SOM. We directly dissolved finely ground organic layers of boreal forest floors-litters, fibric and humic horizons of both coniferous and broadleaved stands-in dimethyl sulfoxide and analyzed the resulting solution with a two-dimensional (2D) 1H-13C NMR experiment. We will discuss methodological aspects related to the ability to identify and quantify individual molecular moieties in SOM. We will demonstrate how the spectra resolve signals of CH groups in a 2D plane determined by the 13C and 1H chemical shifts, thereby vastly increasing the resolving power and information content of NMR spectra. The
International Nuclear Information System (INIS)
Brockbank, R.L.; Vogel, H.J.
1990-01-01
The major form of the oligosaccharide of hen phosvitin was studied with two-dimensional 1 H NMR of the intact glycoprotein. Its structure was determined from an analysis of the chemical shifts of the structural reporter groups, and it was further confirmed by comparison to several related model oligosaccharides. The oligosaccharide is N-linked and is present in a 1:1 stoichiometry to the protein. It has a complex type 1 triantennary structure with two NeuAcα2,6Ga1β1,4G1cNAcβ1,2 arms linked to the Man-4 and Man-4' and a third Ga1β1,4G1cNAcβ1, 4 arm attached to the Man-4. the oligosaccharide contains the common core sequence which is present in all N-linked glycoproteins [Manα1,3(Manα1,6)Manβ1,4G1cNAcβ1,4G1cNAcβ1,N]. In the course of this study, we have found that unique spin systems for the G1cNAc and NeuAc are obtained for spectra recorded in 90% H 2 O. Their NH peaks were assigned at low pH, and these assignments proved useful for confirming the identify of cross-peaks in the anomeric region. In addition, the protons of G1cNAc-1 could be correlated to the NH of the asparagine link. The cross-peak patterns determined in phase-sensitive 2D experiments for the H1,H2 protons have a different appearance for each type of monosaccharide, and this information was also used for making first-order assignments. A comparison with model compounds suggests that the solution conformation of the oligosaccharide is not affected by its attachment to the protein
Daniel J. Yelle; Prasad Kaparaju; Christopher G. Hunt; Kolby Hirth; Hoon Kim; John Ralph; Claus Felby
2012-01-01
Solution-state two-dimensional (2D) nuclear magnetic resonance (NMR) spectroscopy of plant cell walls is a powerful tool for characterizing changes in cell wall chemistry during the hydrothermal pretreatment process of wheat straw for second-generation bioethanol production. One-bond 13C-1H NMR correlation spectroscopy, via...
Two-site jumps in dimethyl sulfone studied by one- and two-dimensional 17O NMR spectroscopy
Beerwerth, J.; Storek, M.; Greim, D.; Lueg, J.; Siegel, R.; Cetinkaya, B.; Hiller, W.; Zimmermann, H.; Senker, J.; Böhmer, R.
2018-03-01
Polycrystalline dimethyl sulfone is studied using central-transition oxygen-17 exchange NMR. The quadrupolar and chemical shift tensors are determined by combining quantum chemical calculations with line shape analyses of rigid-lattice spectra measured for stationary and rotating samples at several external magnetic fields. Quantum chemical computations predict that the largest principal axes of the chemical shift anisotropy and electrical field gradient tensors enclose an angle of about 73°. This prediction is successfully tested by comparison with absorption spectra recorded at three different external magnetic fields. The experimental one-dimensional motionally narrowed spectra and the two-dimensional exchange spectrum are compatible with model calculations involving jumps of the molecules about their two-fold symmetry axis. This motion is additionally investigated by means of two-time stimulated-echo spectroscopy which allows for a determination of motional correlation functions over a wider temperature range than previously reported using carbon and deuteron NMR. On the basis of suitable second-order quadrupolar frequency distributions, sin-sin stimulated-echo amplitudes are calculated for a two-site model in the limit of vanishing evolution time and compared with experimental findings. The present study thus establishes oxygen-17 NMR as a powerful method that will be particularly useful for the study of solids and liquids devoid of nuclei governed by first-order anisotropies.
International Nuclear Information System (INIS)
Kohda, Daisuke; Sawada, Toshie; Inagaki, Fuyuhiko
1991-01-01
The pH titration shifts for all the nonlabile proton resonances in a 53-residue protein (mouse epidermal growth factor) were measured in the p 2 H range 1.5-9 with two-dimensional (2D) 1 H NMR. The 2D NMR pH titration experiment made it possible to determine the pK values for all the ionizable group which were titrated in the pH range 1.5-9 in the protein. The pK values of the nine ionizable groups (α-amino group, four Asp, two Glu, one His, and α-carboxyl group) were found to be near their normal values. The 2D titration experiment also provided a detailed description of the pH-dependent behavior of the proton chemical shifts and enabled us to characterize the pH-dependent changes of protein conformation. Analysis of the pH-dependent shifts of ca. 200 proton resonances offered evidence of conformational changes in slightly basic pH solution: The deprotonation of the N-terminal α-amino group induced a widespread conformational change over the β-sheet structure in the protein, while the effects of deprotonation of the His22 imidazole group were relatively localized. The authors found that the 2D NMR pH titration experiment is a powerful tool for investigating the structural and dynamic properties of proteins
Two-dimensional cross-section sensitivity and uncertainty analysis of the LBM experience at LOTUS
International Nuclear Information System (INIS)
Davidson, J.W.; Dudziak, D.J.; Pelloni, S.; Stepanek, J.
1989-01-01
In recent years, the LOTUS fusion blanket facility at IGA-EPF in Lausanne provided a series of irradiation experiments with the Lithium Blanket Module (LBM). The LBM has both realistic fusion blanket and materials and configuration. It is approximately an 80-cm cube, and the breeding material is Li 2 . Using as the D-T neutron source the Haefely Neutron Generator (HNG) with an intensity of about 5·10 12 n/s, a series of experiments with the bare LBM as well as with the LBM preceded by Pb, Be and ThO 2 multipliers were carried out. In a recent common Los Alamos/PSI effort, a sensitivity and nuclear data uncertainty path for the modular code system AARE (Advanced Analysis for Reactor Engineering) was developed. This path includes the cross-section code TRAMIX, the one-dimensional finite difference S n -transport code ONEDANT, the two-dimensional finite element S n -transport code TRISM, and the one- and two-dimensional sensitivity and nuclear data uncertainty code SENSIBL. For the nucleonic transport calculations, three 187-neutron-group libraries are presently available: MATXS8A and MATXS8F based on ENDF/B-V evaluations and MAT187 based on JEF/EFF evaluations. COVFILS-2, a 74-group library of neutron cross-sections, scattering matrices and covariances, is the data source for SENSIBL; the 74-group structure of COVFILS-2 is a subset of the Los Alamos 187-group structure. Within the framework of the present work a complete set of forward and adjoint two-dimensional TRISM calculations were performed both for the bare, as well as for the Pb- and Be-preceded, LBM using MATXS8 libraries. Then a two-dimensional sensitivity and uncertainty analysis for all cases was performed
Analysis of the OPERA-15 two-dimensional voiding experiment using the SAS4A code
International Nuclear Information System (INIS)
Briggs, L.L.
1984-01-01
Overall, SAS4A appears to do a good job for simulating the OPERA-15 experiment. For most of the experiment parameters, the code calculations compare quite well with the experimental data. The lack of a multi-dimensional voiding model has the effect of extending the flow coastdown time until voiding starts; otherwise, the code simulates the accident progression satisfactorily. These results indicate a need for further work in this area in the form of a tandem analysis by a two-dimensional flow code and a one-dimensional version of that code to confirm the observations derived from the SAS4A analysis
Two-dimensional nuclear magnetic resonance spectroscopy
International Nuclear Information System (INIS)
Bax, A.; Lerner, L.
1986-01-01
Great spectral simplification can be obtained by spreading the conventional one-dimensional nuclear magnetic resonance (NMR) spectrum in two independent frequency dimensions. This so-called two-dimensional NMR spectroscopy removes spectral overlap, facilitates spectral assignment, and provides a wealth of additional information. For example, conformational information related to interproton distances is available from resonance intensities in certain types of two-dimensional experiments. Another method generates 1 H NMR spectra of a preselected fragment of the molecule, suppressing resonances from other regions and greatly simplifying spectral appearance. Two-dimensional NMR spectroscopy can also be applied to the study of 13 C and 15 N, not only providing valuable connectivity information but also improving sensitivity of 13 C and 15 N detection by up to two orders of magnitude. 45 references, 10 figures
Energy Technology Data Exchange (ETDEWEB)
Huang, Yuqing; Cai, Shuhui; Yang, Yu; Sun, Huijun; Lin, Yanqin, E-mail: linyq@xmu.edu.cn, E-mail: chenz@xmu.edu.cn; Chen, Zhong, E-mail: linyq@xmu.edu.cn, E-mail: chenz@xmu.edu.cn [Department of Electronic Science, Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, State Key Laboratory for Physical Chemistry of Solid Surfaces, Xiamen University, Xiamen 361005 (China); Lin, Yung-Ya [Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095 (United States)
2016-03-14
High spectral resolution in nuclear magnetic resonance (NMR) is a prerequisite for achieving accurate information relevant to molecular structures and composition assignments. The continuous development of superconducting magnets guarantees strong and homogeneous static magnetic fields for satisfactory spectral resolution. However, there exist circumstances, such as measurements on biological tissues and heterogeneous chemical samples, where the field homogeneity is degraded and spectral line broadening seems inevitable. Here we propose an NMR method, named intermolecular zero-quantum coherence J-resolved spectroscopy (iZQC-JRES), to face the challenge of field inhomogeneity and obtain desired high-resolution two-dimensional J-resolved spectra with fast acquisition. Theoretical analyses for this method are given according to the intermolecular multiple-quantum coherence treatment. Experiments on (a) a simple chemical solution and (b) an aqueous solution of mixed metabolites under externally deshimmed fields, and on (c) a table grape sample with intrinsic field inhomogeneity from magnetic susceptibility variations demonstrate the feasibility and applicability of the iZQC-JRES method. The application of this method to inhomogeneous chemical and biological samples, maybe in vivo samples, appears promising.
Laboratory setup and results of experiments on two-dimensional multiphase flow in porous media
International Nuclear Information System (INIS)
McBride, J.F.; Graham, D.N.
1990-10-01
In the event of an accidental release into earth's subsurface of an immiscible organic liquid, such as a petroleum hydrocarbon or chlorinated organic solvent, the spatial and temporal distribution of the organic liquid is of great interest when considering efforts to prevent groundwater contamination or restore contaminated groundwater. An accurate prediction of immiscible organic liquid migration requires the incorporation of relevant physical principles in models of multiphase flow in porous media; these physical principles must be determined from physical experiments. This report presents a series of such experiments performed during the 1970s at the Swiss Federal Institute of Technology (ETH) in Zurich, Switzerland. The experiments were designed to study the transient, two-dimensional displacement of three immiscible fluids in a porous medium. This experimental study appears to be the most detailed published to date. The data obtained from these experiments are suitable for the validation and test calibration of multiphase flow codes. 73 refs., 140 figs
Numerical analysis of biological clogging in two-dimensional sand box experiments
DEFF Research Database (Denmark)
Kildsgaard, J.; Engesgaard, Peter Knudegaard
2001-01-01
Two-dimensional models for biological clogging and sorptive tracer transport were used to study the progress of clogging in a sand box experiment. The sand box had been inoculated with a strip of bacteria and exposed to a continuous injection of nitrate and acetate. Brilliant Blue was regularly...... injected during the clogging experiment and digital images of the tracer movement had been converted to concentration maps using an image analysis. The calibration of the models to the Brilliant Blue observations shows that Brilliant Blue has a solid biomass dependent sorption that is not compliant...... with the assumed linear constant Kd behaviour. It is demonstrated that the dimensionality of sand box experiments in comparison to column experiments results in a much lower reduction in hydraulic conductivity Žfactor of 100. and that the bulk hydraulic conductivity of the sand box decreased only slightly. However...
Metabolic profiling based on two-dimensional J-resolved 1H NMR data and parallel factor analysis
DEFF Research Database (Denmark)
Yilmaz, Ali; Nyberg, Nils T; Jaroszewski, Jerzy W.
2011-01-01
the intensity variances along the chemical shift axis are taken into account. Here, we describe the use of parallel factor analysis (PARAFAC) as a tool to preprocess a set of two-dimensional J-resolved spectra with the aim of keeping the J-coupling information intact. PARAFAC is a mathematical decomposition......-model was done automatically by evaluating amount of explained variance and core consistency values. Score plots showing the distribution of objects in relation to each other, and loading plots in the form of two-dimensional pseudo-spectra with the same appearance as the original J-resolved spectra...
Hall MHD Modeling of Two-dimensional Reconnection: Application to MRX Experiment
International Nuclear Information System (INIS)
Lukin, V.S.; Jardin, S.C.
2003-01-01
Two-dimensional resistive Hall magnetohydrodynamics (MHD) code is used to investigate the dynamical evolution of driven reconnection in the Magnetic Reconnection Experiment (MRX). The initial conditions and dimensionless parameters of the simulation are set to be similar to the experimental values. We successfully reproduce many features of the time evolution of magnetic configurations for both co- and counter-helicity reconnection in MRX. The Hall effect is shown to be important during the early dynamic X-phase of MRX reconnection, while effectively negligible during the late ''steady-state'' Y-phase, when plasma heating takes place. Based on simple symmetry considerations, an experiment to directly measure the Hall effect in MRX configuration is proposed and numerical evidence for the expected outcome is given
International Nuclear Information System (INIS)
Bersch, Beate; Rossy, Emmanuel; Coves, Jacques; Brutscher, Bernhard
2003-01-01
NMR experiments are presented which allow backbone resonance assignment, secondary structure identification, and in favorable cases also molecular fold topology determination from a series of two-dimensional 1 H- 15 N HSQC-like spectra. The 1 H- 15 N correlation peaks are frequency shifted by an amount ± ω X along the 15 N dimension, where ω X is the C α , C β , or H α frequency of the same or the preceding residue. Because of the low dimensionality (2D) of the experiments, high-resolution spectra are obtained in a short overall experimental time. The whole series of seven experiments can be performed in typically less than one day. This approach significantly reduces experimental time when compared to the standard 3D-based methods. The here presented methodology is thus especially appealing in the context of high-throughput NMR studies of protein structure, dynamics or molecular interfaces
Experiments on melting in classical and quantum two dimensional electron systems
International Nuclear Information System (INIS)
Williams, F.I.B.
1991-01-01
''Two dimensional electron system'' (2DES) here refers to electrons whose dynamics is free in 2 dimensions but blocked in the third. Experiments have been performed in two limiting situations: the classical, low density, limit realised by electrons deposited on a liquid helium surface and the quantum, high density, limit realised by electrons at an interface between two epitaxially matched semiconductors. In the classical system, where T Q c so that the thermodynamic state is determined by the competition between the temperature and the Coulomb interaction, melting is induced either by raising the temperature at constant density or by lowering the density at finite temperature. In the quantum system, it is not possible to lower the density below about 100n W without the Coulomb interaction losing out to the random field representing the extrinsic disorder imposed by the semiconductor host. Instead one has to induce crystallisation with the help of the Lorentz force, by applying a perpendicular magnetic field B [2] . As the quantum magnetic length l c = (Planck constant c/eB) 1/2 is reduced with respect to the interelectronic spacing a, expressed by the filling factor ν 2l c 2 /a 2 , the system exhibits the quantum Hall effect (QHE), first for integer then for fractional values of ν. The fractional quantum Hall effect (FQHE) is a result of Coulomb induced correlation in the quantum liquid, but as ν is decreased still further the correlations are expected to take on long-range crystal-like periodicity accompanied by elastic shear rigidity. Such a state can nonetheless be destroyed by the disordering effect of temperature, giving rise to a phase boundary in a (T, B) plane. The aim of experiment is first to determine the phase diagram and then to help elucidate the mechanism of the melting. (author)
International Nuclear Information System (INIS)
1988-12-01
This bibliography contains citations concerning the enhanced analytical techniques of two-dimensional nuclear magnetic resonance (2-D NMR). Applications to specific molecules, biomolecules, and compounds as well as comparisons of three 2-D NMR techniques: correlated spectroscopy (COSY), nuclear Overhauser (NOSEY), and homonuclear-correlated spectroscopy (HOMCOR). (Contains 190 citations fully indexed and including a title list.)
Energy Technology Data Exchange (ETDEWEB)
Krisnamoorthi, R.; Yuxi Gong; Chanlan Sun Lin (Kansas State Univ., Manhattan (United States)); VanderVelde, D. (Univ. of Kansas, Lawrence (United States))
1992-01-28
The solution structure of reactive-site hydrolyzed Cucurbita maxima trypsin inhibitor III (CMTI-III*) was investigated by two-dimensional proton nuclear magnetic resonance (2D NMR) spectroscopy. CMTI-III*, prepared by reacting CMTI-III with trypsin which cleaved the Arg5-Ile6 peptide bond, had the two fragments held together by a disulfide linkage. Sequence-specific {sup 1}H NMR resonance assignments were made for all the 29 amino acid residues of the protein. The secondary structure of CMTI-III*, as deduced from NOESY cross peaks and identification of slowly exchanging hydrogens, contains two turns, a 3{sub 10}-helix, and a triple-stranded {beta}-sheet. Sequential proton assignments were also made for the virgin inhibitor, CMTI-III, at pH 4.71, 30C. Comparison of backbone hydrogen chemical shifts of CMTI-III and CMTI-III* revealed significant changes for residues located far away from the reactive-site region as well as for those located near it, indicating tertiary structural changes that are transmitted through most of the 29 residues of the inhibitor protein. These chemical shift changes were relatively small compared to changes that occurred upon hydrolysis of the reactive-site peptide bond between Arg 5 and Ile6 in CMTI-III.
International Nuclear Information System (INIS)
Shenderovich, M.D.; Sekatsis, I.P.; Liepin'sh, E.E.; Nikiforovich, G.V.; Papsuevich, O.S.
1986-01-01
An assignment of the 1 H NMR signals of des-Gly 9 -[Arg 8 ]vasopressin in dimethyl sulfoxide has been made by 2D spectroscopy. The SSCCs and temperature coefficients Δδ/Δ T have been obtained for the amide protons and the system of NOE cross-peaks in the two-dimensional NOESY spectrum has been analyzed. The most important information on the spatial structure of des-Gly 9 -[Arg 8 ]vasopressin is given by the low value of the temperature coefficient Δδ/Δ T of the Asn 5 amide proton and the NOE between the α-protons of Cys 1 and Cys 6 . It is assumed that the screening of the NH proton of the Asn 5 residue from the solvent is connected with a β-bend of the backbone in the 2-5 sequence, and the distance between the C/sup α/H atoms of the Cys 1 and Cys 6 residues does not exceed 4 A. Bearing these limitations in mind, a theoretical conformational analysis of the molecule has been made. The group of low-energy conformations of the backbone obtained has been compared with the complete set of NMR characteristics
Krishnamoorthi, R; Lin, C L; VanderVelde, D
1992-06-02
Sequence-specific hydrogen-1 NMR assignments were made to all of the 29 amino acid residues of reactive-site-hydrolyzed Cucurbita maxima trypsin inhibitor I (CMTI-I*) by the application of two-dimensional NMR (2D NMR) techniques, and its secondary structural elements (two tight turns, a 3(10)-helix, and a triple-stranded beta-sheet) were identified on the basis of short-range NOESY cross peaks and deuterium-exchange kinetics. These secondary structural elements are present in the intact inhibitor [Holak, T. A., Gondol, D., Otlewski, J., & Wilusz, T. (1989) J. Mol. Biol. 210, 635-648] and are unaffected by the hydrolysis of the reactive-site peptide bond between Arg5 and Ile6, in accordance with the earlier conclusion reached for CMTI-III* [Krishnamoorthi, R., Gong, Y.-X., Lin, C. S., & VanderVelde, D. (1992) Biochemistry 31, 898-904]. Chemical shifts of backbone hydrogen atoms, peptide NH's, and C alpha H's, of CMTI-I* were compared with those of the intact inhibitor, CMTI-I, and of the reactive-site-hydrolyzed, natural, E9K variant, CMTI-III*. Cleavage of the Arg5-Ile6 peptide bond resulted in changes of chemical shifts of most of the backbone atoms of CMTI-I, in agreement with the earlier results obtained for CMTI-III. Comparison of chemical shifts of backbone hydrogen atoms of CMTI-I* and CMTI-III* revealed no changes, except for residues Glu9 and His25. However, the intact forms of the same two proteins, CMTI-I and CMTI-III, showed small but significant perturbations of chemical shifts of residues that made up the secondary structural elements of the inhibitors.(ABSTRACT TRUNCATED AT 250 WORDS)
International Nuclear Information System (INIS)
Breg, J.N.; Boelens, R.; George, A.V.E.; Kaptein, R.
1989-01-01
The Arc repressor of bacteriophage P22 is a DNA binding protein that does not belong to any of the known classes of such proteins. The authors have undertaken a 1 H NMR study of the protein with the aim of elucidating its three-dimensional structure in solution and its mode of binding of operator DNA. Here the authors present the 1 H nuclear magnetic resonance (NMR) assignments of all backbone protons an most of the side-chain protons of Arc repressor. Elements of secondary structure have been identified on the basis of networks of characteristics sequential and medium-range nuclear Overhauser enhancements (NOEs). Two α-helical regions have been found in the peptide regions 16-29 and 35-45. The ends of the helices could not yet be firmly established and could extend to residue 31 for the first helix and to residue 49 for the second. Immediately before the first helix, between residues 8 and 14, a region is present with β-sheet characteristics dominated by a close proximity of the α-protons of residues 9 and 13. Because of the dimeric nature of the protein there are still two possible ways in which the NOEs in the β-sheet region can be interpreted. While the data presently do not allow an unambiguous choice between these two possibilities, some evidence is discussed that favors the latter (β-sheet between monomers). Since the N-terminal region of Arc is responsible for the sequence-specific recognition of its operator, the findings suggest the existence of a DNA binding motif in which a β-sheet region is present
Krishnamoorthi, R; Gong, Y X; Lin, C L; VanderVelde, D
1992-01-28
The solution structure of reactive-site hydrolyzed Cucurbita maxima trypsin inhibitor III (CMTI-III*) was investigated by two-dimensional proton nuclear magnetic resonance (2D NMR) spectroscopy. CMTI-III*, prepared by reacting CMTI-III with trypsin which cleaved the Arg5-Ile6 peptide bond, had the two fragments held together by a disulfide linkage. Sequence-specific 1H NMR resonance assignments were made for all the 29 amino acid residues of the protein. The secondary structure of CMTI-III*, as deduced from NOESY cross peaks and identification of slowly exchanging hydrogens, contains two turns (residues 8-12 and 24-27), a 3(10)-helix (residues 13-16), and a triple-stranded beta-sheet (residues 8-10, 29-27, and 21-25). This secondary structure is similar to that of CMTI-I [Holak, T. A., Gondol, D., Otlewski, J., & Wilusz, T. (1989) J. Mol. Biol. 210, 635-648], which has a Glu instead of a Lys at position 9. Sequential proton assignments were also made for the virgin inhibitor, CMTI-III, at pH 4.71, 30 degrees C. Comparison of backbone hydrogen chemical shifts of CMTI-III and CMTI-III* revealed significant changes for residues located far away from the reactive-site region as well as for those located near it, indicating tertiary structural changes that are transmitted through most of the 29 residues of the inhibitor protein. Many of these residues are functionally important in that they make contact with atoms of the enzyme in the trypsin-inhibitor complex, as revealed by X-ray crystallography [Bode, W., Greyling, H. J., Huber, R., Otlewski, J., & Wilusz, T. (1989) FEBS Lett. 242, 285-292].(ABSTRACT TRUNCATED AT 250 WORDS)
International Nuclear Information System (INIS)
Nikonowicz, E.; Roongta, V.; Jones, C.R.; Gorenstein, D.G.
1989-01-01
Assignment of the 1H and 31P NMR spectra of an extrahelical adenosine tridecamer oligodeoxyribonucleotide duplex, d(CGCAGAATTCGCG)2, has been made by two-dimensional 1H-1H and heteronuclear 31P-1H correlated spectroscopy. The downfield 31P resonance previously noted by Patel et al. (1982) has been assigned by both 17O labeling of the phosphate as well as a pure absorption phase constant-time heteronuclear 31P-1H correlated spectrum and has been associated with the phosphate on the 3' side of the extrahelical adenosine. JH3'-P coupling constants for each of the phosphates of the tridecamer were obtained from the 1H-31P J-resolved selective proton-flip 2D spectrum. By use of a modified Karplus relationship the C4-C3'-O3-P torsional angles (epsilon) were obtained. There exists a good linear correlation between 31P chemical shifts and the epsilon torsional angle. The 31P chemical shifts and epsilon torsional angles follow the general observation that the more internal the phosphate is located within the oligonucleotide sequence, the more upfield the 31P resonance occurs. Because the extrahelical adenosine significantly distorts the deoxyribose phosphate backbone conformation even several bases distant from the extrahelical adenosine, 31P chemical shifts show complex site- and sequence-specific variations. Modeling and NOESY distance-restrained energy minimization and restrained molecular dynamics suggest that the extrahelical adenosine stacks into the duplex. However, a minor conformation is also observed in the 1H NMR, which could be associated with a structure in which the extrahelical adenosine loops out into solution
International Nuclear Information System (INIS)
Chae, Young Kee; Kim, Seol Hyun; Ellinger, James E.; Markley, John L.
2013-01-01
Saccharomyces cerevisiae, which is a common species of yeast, is by far the most extensively studied model of a eukaryote because although it is one of the simplest eukaryotes, its basic cellular processes resemble those of higher organisms. In addition, yeast is a commercially valuable organism for ethanol production. Since the yeast data can be extrapolated to the important aspects of higher organisms, many researchers have studied yeast metabolism under various conditions. In this report, we analyzed and compared metabolites of Saccharomyces cerevisiae under salt and pH stresses of various strengths by using two-dimensional NMR spectroscopy. A total of 31 metabolites were identified for most of the samples. The levels of many identified metabolites showed gradual or drastic increases or decreases depending on the severity of the stresses involved. The statistical analysis produced a holistic outline: pH stresses were clustered together, but salt stresses were spread out depending on the severity. This work could provide a link between the metabolite profiles and mRNA or protein profiles under representative and well studied stress conditions
Directory of Open Access Journals (Sweden)
Xiaoming Li
Full Text Available While the properties of biochar are closely related to its functional groups, it is unclear under what conditions biochar develops its properties. In this study, two-dimensional (2D (13C nuclear magnetic resonance (NMR correlation spectroscopy was for the first time applied to investigate the development of functional groups and establish their relationship with biochar properties. The results showed that the agricultural biomass carbonized to biochars was a dehydroxylation/dehydrogenation and aromatization process, mainly involving the cleavage of O-alkylated carbons and anomeric O-C-O carbons in addition to the production of fused-ring aromatic structures and aromatic C-O groups. With increasing charring temperature, the mass cleavage of O-alkylated groups and anomeric O-C-O carbons occurred prior to the production of fused-ring aromatic structures. The regression analysis between functional groups and biochar properties (pH and electrical conductivity further demonstrated that the pH and electrical conductivity of rice straw derived biochars were mainly determined by fused-ring aromatic structures and anomeric O-C-O carbons, but the pH of rice bran derived biochars was determined by both fused-ring aromatic structures and aliphatic O-alkylated (HCOH carbons. In summary, this work suggests a novel tool for characterising the development of functional groups in biochars.
An Inversion Recovery NMR Kinetics Experiment
Williams, Travis J.; Kershaw, Allan D.; Li, Vincent; Wu, Xinping
2011-01-01
A convenient laboratory experiment is described in which NMR magnetization transfer by inversion recovery is used to measure the kinetics and thermochemistry of amide bond rotation. The experiment utilizes Varian spectrometers with the VNMRJ 2.3 software, but can be easily adapted to any NMR platform. The procedures and sample data sets in this article will enable instructors to use inversion recovery as a laboratory activity in applied NMR classes and provide research students with a conveni...
International Nuclear Information System (INIS)
Clore, G.M.; Driscoll, P.C.; Wingfield, P.T.; Gronenborn, A.M.
1990-01-01
The backbone dynamics of uniformly 15 N-labeled interleukin-1β are investigated by using two-dimensional inverse detected heteronuclear 15 N- 1 H NMR spectroscopy. 15 N T 1 , T 2 , and NOE data at a spectrometer frequency of 600 MHz are obtained for 90% of the backbone amide groups. The data provide evidence for motions on three time scales. All the residues exhibit very fast motions on a time scale of approx-lt 20-50 ps that can be characterized by a single-order parameter with an average value of 0.82 ± 0.05. Thirty-two residues also display motions on a time scale of 0.5-4 ns, slightly less than the overall rotational correlation time of the protein (8.3 ns). While the simple formulation can account for the 15 N T 1 and T 2 data, it fails to account for the 15 N- 1 H NOE data and yields calculated values for the NOEs that are either too small or negative, whereas the observed NOEs are positive. Another 42 residues are characterized by some sort of motion on the 30-ns-10-ms time scale, which results in 15 N line broadening due to chemical exchange between different conformational substates with distinct 15 N chemical shifts. In general, the motions on both the 0.5-4-ns and 30-ns-10-ms time scales are localized in surface-accessible loops and turns connecting the β-strands, as well as at the beginning and end of strands. Finally, the kinetic and equilibrium properties of a slow conformational equilibrium between a major and a minor species, involving at least 19 residues and located on one contiguous face of the molecule, are characterized by using 1 H- 15 N correlation spectroscopy, 1 H- 15 N heteronuclear multiple quantum coherence-nuclear Overhauser enhancement spectroscopy, and 1 H- 1 H nuclear Overhauser enhancement spectroscopy
International Nuclear Information System (INIS)
Hammond, S.J.; Birdsall, B.; Feeney, J.; Searle, M.S.; Roberts, G.C.K.; Cheung, H.T.A.
1987-01-01
The authors have used two-dimensional (2D) NMR methods to examine complexes of Lactobacillus casei dihydrofolate reductase and methotrexate (MTX) analogues having structural modifications of the benzoyl ring and also the glutamic acid moiety. Assignments of the 1 H signals in the spectra of the various complexes were made by comparison of their 2D spectra with those complexes containing methotrexate where we have previously assigned resonances from 32 of the 162 amino acid residues. In the complexes formed with the dihalomethotrexate analogues, the glutamic acid and pteridine ring moieties were shown to bind to the enzyme in a manner similar to that found in the methotrexate-enzyme complex. Perturbations in 1 H chemical shifts of protons in Phe-49, Leu-54, and Leu-27 and the methotrexate H7 and NMe protons were observed in the different complexes and were accounted for by changes in orientation of the benzoyl ring in the various complexes. Binding of oxidized or reduced coenzyme to the binary complexes did not result in different shifts for Leu-27, Leu-54, or Leu-19 protons, and thus, the orientation of the benzoyl ring of the methotrexate analogues is not perturbed greatly by the presence of either oxidized or reduced coenzyme. In the complex with the γ-monoamide analog, the 1 H signals of assigned residues in the protein had almost identical shifts with the corresponding protons in the methotrexate-enzyme complex for all residues except His-28 and, to a lesser extent, Leu-27. This indicates that while the His-28 interaction with the MTX γ-CO 2 - is no longer present in this complex with the γ-amide, there has not been a major change in the overall structure of the two complexes. This behavior contrasts to that of the α-amide complex where 1 H signals from protons in several amino acid residues are different compared with their values in the complex formed with methotrexate
An Inversion Recovery NMR Kinetics Experiment
Williams, Travis J.; Kershaw, Allan D.; Li, Vincent; Wu, Xinping
2011-01-01
A convenient laboratory experiment is described in which NMR magnetization transfer by inversion recovery is used to measure the kinetics and thermochemistry of amide bond rotation. The experiment utilizes Varian spectrometers with the VNMRJ 2.3 software, but can be easily adapted to any NMR platform. The procedures and sample data sets in this…
Energy Technology Data Exchange (ETDEWEB)
Bingol, Kerem [Environmental; Li, Da-Wei; Zhang, Bo; Brüschweiler, Rafael
2016-12-06
Identification of metabolites in complex mixtures represents a key step in metabolomics. A new strategy is introduced, which is implemented in a new public web server, COLMARm, that permits the co-analysis of up to three 2D NMR spectra, namely 13C-1H HSQC, 1H-1H TOCSY, and 13C-1H HSQC-TOCSY for the comprehensive, accurate, and efficient performance of this task. The highly versatile and interactive nature of COLMARm permits its application to a wide range of metabolomics samples independent of the magnetic field. Database query is performed using the HSQC spectrum and the top metabolite hits are then validated against the TOCSY-type experiment(s) by superimposing the expected cross-peaks on the mixture spectrum. In this way the user can directly accept or reject candidate metabolites by taking advantage of the complementary spectral information offered by these experiments and their different sensitivities. The power of COLMARm is demonstrated for a human serum sample uncovering the existence of 14 metabolites that hitherto were not identified by NMR.
International Nuclear Information System (INIS)
Minnhagen, P.
1983-01-01
The Coulomb-gas model of vortex fluctuations leads to scaling relations for the resistive transition which can be directly tested by experiments. By analyzing published resistance data, it is shown that there is experimental evidence for the Coulomb-gas scaling relation in the absence of a perpendicular magnetic field. It is also shown that there exists some suggestive support for the Coulomb-gas predictions in the presence of a magnetic field
Energy Technology Data Exchange (ETDEWEB)
Koss, K. G.; Petrov, O. F.; Myasnikov, M. I., E-mail: miasnikovmi@mail.ru; Statsenko, K. B.; Vasiliev, M. M. [Russian Academy of Sciences, Joint Institute for High Temperatures (Russian Federation)
2016-07-15
The results of experimental and numerical analysis are presented for phase transitions in strongly nonequilibrium small systems of strongly interacting Brownian particles. The dynamic entropy method is applied to analysis of the state of these systems. Experiments are carried out with kinetic heating of the structures of micron-size particles in a laboratory rf discharge plasma. Three phase states of these small systems are observed: crystalline, liquid, and transient. The mechanism of phase transitions in cluster structures of strongly interacting particles is described.
Harting, Benjamin; Slenzka, Klaus
2012-07-01
To investigate the influence of microgravity environments on photosynthetic organisms we designed a 2 dimensional clinostatexperiment for a suspended cell culture of Chlamydomonas reinhardtii. A novel approach of online measurments concerning relevant parameters important for the clasification of photosynthesis was obtained. To adress the photosynthesis rate we installed and validated an optical mesurement system to monitor the evolution and consumption of dissolved oxygen. Simultaneously a PAM sensor to analyse the flourescence quantum yield of the photochemical reaction was integarted. Thus it was possible to directly classify important parameters of the phototrophic metabolism during clinorotation. The experiment design including well suited light conditions and further biochemical analysis were directly performed for microalgal cell cultures. Changes in the photosynthetic efficiancy of phototrophic cyanobacteria has been observed during parabolic flight campaign but the cause is already not understood. Explenations could be the dependency of gravitaxis by intracellular ionconcentartion or the existance of mechanosensitive ionchannels for example associated in chloroplasts of Chlamydomonas reinhardtii. The purpuse of the microalgal clinostat are studies in a qasi microgravity environment for the process design of future bioregenerative life suport systems in spaceflight missions. First results has indicated the need for special nourishment of the cell culture during microgravity experiments. Further data will be presented during the assembly.
Stordal, Frode; Garcia, Rolando R.
1987-01-01
The 1-1/2-D model of Holton (1986), which is actually a highly truncated two-dimensional model, describes latitudinal variations of tracer mixing ratios in terms of their projections onto second-order Legendre polynomials. The present study extends the work of Holton by including tracers with photochemical production in the stratosphere (O3 and NOy). It also includes latitudinal variations in the photochemical sources and sinks, improving slightly the calculated global mean profiles for the long-lived tracers studied by Holton and improving substantially the latitudinal behavior of ozone. Sensitivity tests of the dynamical parameters in the model are performed, showing that the response of the model to changes in vertical residual meridional winds and horizontal diffusion coefficients is similar to that of a full two-dimensional model. A simple ozone perturbation experiment shows the model's ability to reproduce large-scale latitudinal variations in total ozone column depletions as well as ozone changes in the chemically controlled upper stratosphere.
Two-dimensional structure of mountain wave observed by aircraft during the PYREX experiment
Directory of Open Access Journals (Sweden)
J. L. Attié
Full Text Available This study presents an experimental analysis from aircraft measurements above the Pyrenees chain during the PYREX experiment. The Pyrenees chain, roughly WE oriented, is a major barrier for northerly and southerly airflows. We present a case of southerly flow (15 October 1990 and three successive cases of northerly flows above the Pyrenees (14, 15 and 16 November 1990 documented by two aircraft. The aircraft have described a vertical cross section perpendicular to the Pyrenean ridge. This area is described via the thermodynamical and dynamical fields which have a horizontal resolution of 10 km. Three methods for computing the vertical velocity of the air are presented. The horizontal advection terms which play a role in the budget equations are also evaluated. The altitude turbulence zone of 15 October are shown via turbulent fluxes, turbulent kinetic energy (TKE, dissipation rate of TKE and inertial length-scale. A comparison of results obtained by eddy-correlation and inertial-dissipation method is presented. The experimental results show a warm and dry downdraft for the southerly flow with large values for advection terms. All the mountain wave cases are also shown to present an important dynamical perturbation just above the Pyrenees at upper altitudes.
Kandouci, Chahinaz; Djebbari, Ali
2018-04-01
A new family of two-dimensional optical hybrid code which employs zero cross-correlation (ZCC) codes, constructed by the balanced incomplete block design BIBD, as both time-spreading and wavelength hopping patterns are used in this paper. The obtained codes have both off-peak autocorrelation and cross-correlation values respectively equal to zero and unity. The work in this paper is a computer experiment performed using Optisystem 9.0 software program as a simulator to determine the wavelength hopping/time spreading (WH/TS) OCDMA system performances limitations. Five system parameters were considered in this work: the optical fiber length (transmission distance), the bitrate, the chip spacing and the transmitted power. This paper shows for what sufficient system performance parameters (BER≤10-9, Q≥6) the system can stand for.
International Nuclear Information System (INIS)
Powers, R.; Jones, C.R.; Gorenstein, D.G.
1990-01-01
Assignment of the 1H and 31P resonances of a decamer DNA duplex, d(CGCTTAAGCG)2 was determined by two-dimensional COSY, NOESY and 1H-31P Pure Absorption phase Constant time (PAC) heteronuclear correlation spectroscopy. The solution structure of the decamer was calculated by an iterative hybrid relaxation matrix method combined with NOESY-distance restrained molecular dynamics. The distances from the 2D NOESY spectra were calculated from the relaxation rate matrix which were evaluated from a hybrid NOESY volume matrix comprising elements from the experiment and those calculated from an initial structure. The hybrid matrix-derived distances were then used in a restrained molecular dynamics procedure to obtain a new structure that better approximates the NOESY spectra. The resulting partially refined structure was then used to calculate an improved theoretical NOESY volume matrix which is once again merged with the experimental matrix until refinement is complete. JH3'-P coupling constants for each of the phosphates of the decamer were obtained from 1H-31P J-resolved selective proton flip 2D spectra. By using a modified Karplus relationship the C4'-C3'-O3'-P torsional angles were obtained. Comparison of the 31P chemical shifts and JH3'-P coupling constants of this sequence has allowed a greater insight into the various factors responsible for 31P chemical shift variations in oligonucleotides. It also provides an important probe of the sequence-dependent structural variation of the deoxyribose phosphate backbone of DNA in solution. These correlations are consistent with the hypothesis that changes in local helical structure perturb the deoxyribose phosphate backbone. The variation of the 31P chemical shift, and the degree of this variation from one base step to the next is proposed as a potential probe of local helical conformation within the DNA double helix
Czech Academy of Sciences Publication Activity Database
Czernek, Jiří; Brus, Jiří
2013-01-01
Roč. 586, 24 October (2013), s. 56-60 ISSN 0009-2614 Institutional support: RVO:61389013 Keywords : NMR * shielding * metergoline Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.991, year: 2013
Proton and deuterium NMR experiments in zero field
International Nuclear Information System (INIS)
Millar, J.M.
1986-02-01
High field solid-state NMR lineshapes suffer from inhomogeneous broadening since resonance frequencies are a function of molecular orientation. Time domain zero field NMR is a two-dimensional field-cycling technique which removes this broadening by probing the evolution of the spin system under zero applied field. The simplest version, the sudden transition experiment, induces zero field evolution by the sudden removal of the applied magnetic field. Theory and experimental results of this experiment and several variations using pulsed dc magnetic fuelds to initiate zero field evolution are presented. In particular, the pulsed indirect detection method allows detection of the zero field spectrum of one nuclear spin species via another (usually protons) by utilizing the level crossings which occur upon adiabatic demagnetization to zero field. Experimental examples of proton/deuteron systems are presented which demonstrate the method results in enhanced sensitivity relative to that obtained in sudden transition experiments performed directly on deuterium. High resolution 2 H NQR spectra of a series of benzoic acid derivatives are obtained using the sudden transition and indirect detection methods. Librational oscillations in the water molecules of barium chlorate monohydrate are studied using proton and deuterium ZF experiments. 177 refs., 88 figs., 2 tabs
DEFF Research Database (Denmark)
Castillo, John J.; Torres, Mary H.; Molina, Daniel R.
2012-01-01
A conjugate between single-walled carbon nanotubes, chitosan and folic acid has been prepared. It was characterized by diffusion ordered two-dimensional hydrogen-1 nuclear magnetic resonance and hydrogen-1 nuclear magnetic resonance spectroscopy which revealed the presence of a conjugate that was......A conjugate between single-walled carbon nanotubes, chitosan and folic acid has been prepared. It was characterized by diffusion ordered two-dimensional hydrogen-1 nuclear magnetic resonance and hydrogen-1 nuclear magnetic resonance spectroscopy which revealed the presence of a conjugate...... that was generated by the linkage between the carboxyl moiety of the folic acid and the amino group of the chitosan, which in turn was non-covalently bound to the single-walled carbon nanotubes. The obtained diffusion coefficient values demonstrated that free folic acid diffused more rapidly than the folic acid...... conjugated to single-walled carbon nanotubes-chitosan. The values of the proton signal of hydrogen-1 nuclear magnetic resonance spectroscopy and two-dimensional hydrogen-1 nuclear magnetic resonance spectroscopy further confirmed that the folic acid was conjugated to the chitosan, wrapping the single...
Directory of Open Access Journals (Sweden)
Hiroyuki Kono
2017-12-01
Full Text Available This article contains two-dimensional (2D NMR experimental data, obtained by the Bruker BioSpin 500Â MHz NMR spectrometer (Germany which can used for the determination of primary structures of schizophyllan from Schizophyllum commune (SPG and a water-soluble Î²-(1â3, 1â6-glucan from Aureobasidium pullulans. Data include analyzed the 2D NMR spectra of these Î²-glucans, which are related to the subject of an article in Carbohydrate Polymers, entitled âNMR spectroscopic structural characterization of a water-soluble Î²-(1â3, 1â6-glucan from A. pullulansâ (Kono et al., 2017 [1]. Data can help to assign the 1H and 13C chemical shifts of the structurally complex polysaccharides. Keywords: NMR, Î²-(1â3, 1â6-glucan, Aureobasidium pullulans, Schizophyllan, Spectral data
Czech Academy of Sciences Publication Activity Database
Czernek, Jiří; Brus, Jiří
2014-01-01
Roč. 608, 21 July (2014), s. 334-339 ISSN 0009-2614 R&D Projects: GA ČR(CZ) GA14-03636S Institutional support: RVO:61389013 Keywords : NMR * DFT * covariance Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.897, year: 2014
International Nuclear Information System (INIS)
Davidson, J.W.; Dudziak, D.J.; Pelloni, S.; Stepanek, J.
1988-01-01
In a recent common Los Alamos/PSI effort, a sensitivity and nuclear data uncertainty path for the modular code system AARE (Advanced Analysis for Reactor Engineering) was developed. This path includes the cross-section code TRAMIX, the one-dimensional finite difference S/sub N/-transport code ONEDANT, the two-dimensional finite element S/sub N/-transport code TRISM, and the one- and two-dimensional sensitivity and nuclear data uncertainty code SENSIBL. Within the framework of the present work a complete set of forward and adjoint two-dimensional TRISM calculations were performed both for the bare, as well as for the Pb- and Be-preceeded, LBM using MATXS8 libraries. Then a two-dimensional sensitivity and uncertainty analysis for all cases was performed. The goal of this analysis was the determination of the uncertainties of a calculated tritium production per source neutron from lithium along the central Li 2 O rod in the LBM. Considered were the contributions from 1 H, 6 Li, 7 Li, 9 Be, /sup nat/C, 14 N, 16 O, 23 Na, 27 Al, /sup nat/Si, /sup nat/Cr, /sup nat/Fe, /sup nat/Ni, and /sup nat/Pb. 22 refs., 1 fig., 3 tabs
Sakhratov, Yu. A.; Kweon, J. J.; Choi, E. S.; Zhou, H. D.; Svistov, L. E.; Reyes, A. P.
2018-03-01
The magnetic phase diagram of CuCrO2 was studied with an alternative method of simultaneous Cu NMR and electric polarization techniques with the primary goal of demonstrating that, regardless of cooling history of the sample, the magnetic phase with specific helmet-shaped NMR spectra associated with interplanar disorder possesses electric polarization. Our result unequivocally confirms the assumption of Sakhratov et al. [Phys. Rev. B 94, 094410 (2016), 10.1103/PhysRevB.94.094410] that the high-field low-temperature phase is in fact a three-dimensional (3D) polar phase characterized by a 3D magnetic order with tensor order parameter. In comparison with the results obtained in pulsed fields, a modified phase diagram is introduced defining the upper boundary of the first-order transition from the 3D spiral to the 3D polar phase.
International Nuclear Information System (INIS)
Anon.
1991-01-01
This chapter addresses the extension of previous work in one-dimensional (linear) error theory to two-dimensional error analysis. The topics of the chapter include the definition of two-dimensional error, the probability ellipse, the probability circle, elliptical (circular) error evaluation, the application to position accuracy, and the use of control systems (points) in measurements
Arias-Pérez, M. S.; Alejo, A.; Gálvez, E.; Pérez, S. M.; Santos, M. J.
1995-04-01
Ethyl 3-methyl-9-oxo-3-azabicyclo[3.3.1]nonane-1-carboxylate has been studied by 1H, 13C and 2D NMR spectroscopy in order to establish its conformational behaviour. The combined use of COSY and 1H- 13C correlation spectra helped in the unambiguous and complete assignment of the bicyclic carbon and proton resonances. It is found that the piperidone ring displays a slightly fattened chair conformation with the N-methyl group in the equatorial position, while a twist-chair form seems to be favoured for the cyclohexanone one. Two preferred orientations migth be proposed for the ethoxycarbonyl moiety.
Energy Technology Data Exchange (ETDEWEB)
Fan, T.W.M.; Higashi, R.M.; Lane, A.N.
2000-05-01
A California forest soil used for contaminant bioavailability studies was extracted for humic substances (HS) and then treated with 4,5-dihydroxy-1,3-benzene disulfonate (Tiron) to remove exchangeable metal ions. This yielded HS that was readily water-soluble at neutral pH without residual Tiron contamination, and the gel electrophoretic pattern was very similar to an international reference HS. The improved solubility facilitated analysis of HS by solution-state 1-D and 2-D {sup 1}H, {sup 13}C, {sup 31}P, and {sup 13}C-{sup 1}H NMR. The amino acids Gly, Ala, Leu, lle, Val, Asp, Ser, Thr, Glu, and Pro were identified in intact HS as peptidic from scalar coupling in TOCSY and dipolar interactions in NOESY and then confirmed by acid digestion of HS with 2-D {sup 1}H NMR and GCMS analysis. The presence of peptides was also corroborated by FT-IR and pyrolysis-GCMS results. Carbohydrates containing {alpha}- and {beta}-pyranoses, methoxy-phenylpropanyl structures, phosphate mono/diesters, polyphosphates, plus phosphatidic acid esters were also evident. Furthermore, the {sup 1}H NOESY, TOCSY, and HSQC together indicated that the peptidic side chains were mobile, whereas aromatic groups were relatively rigid. Thus the peptidic moieties may be more readily accessible to aqueous contaminants than aromatic groups.
International Nuclear Information System (INIS)
Gupta, G.; Sarma, M.H.; Sarma, R.H.
1987-01-01
A hairpin structure contains two conformationally distinct domains: a double-helical stem with Watson-Crick base pairs and a single-stranded loop that connects the two arms of the stem. By extensive 1D and 2D 500-MHz 1 H NMR studies in H 2 O and D 2 O, it has been demonstrated that the DNA oligomers d(CGCCGCAGC) and d(CGCCGTAGC) form hairpin structures under conditions of low concentration, 0.5 mM in DNA strand, and low salt (20 mM NaCl, pH 7). From examination of the nuclear Overhauser effect (NOE) between base protons H8/H6 and sugar protons H1' and H2'/H2'', it was concluded that in D(CGCCGCAGC) and d(CGCCCTAGC) all the nine nucleotides display average (C2'-endo,anti) geometry. The NMR data in conjunction with molecular model building and solvent accessibility studies were used to derive a working model for the hairpins
International Nuclear Information System (INIS)
Powers, R.; Olsen, R.K.; Gorenstein, D.G.
1989-01-01
Assignment of the 1H and 31P NMR spectra of a decamer oligodeoxyribonucleotide duplex, d(CCCGATCGGG), and its quinoxaline ([MeCys3, MeCys7]TANDEM) drug duplex complex has been made by two-dimensional 1H-1H and heteronuclear 31P-1H correlated spectroscopy. The 31P chemical shifts of this 10 base pair oligonucleotide follow the general observation that the more internal the phosphate is located within the oligonucleotide sequence, the more upfield the 31P resonance occurs. While the 31P chemical shifts show sequence-specific variations, they also do not generally follow the Calladine rules previously demonstrated. 31P NMR also provides a convenient monitor of the phosphate ester backbone conformational changes upon binding of the drug to the duplex. Although the quinoxaline drug, [MeCys3, MeCys7]TANDEM, is generally expected to bind to duplex DNA by bis-intercalation, only small 31P chemical shift changes are observed upon binding the drug to duplex d(CCCGATCGGG). Additionally, only small perturbations in the 1H NMR and UV spectra are observed upon binding the drug to the decamer, although association of the drug stabilizes the duplex form relative to the other states. These results are consistent with a non-intercalative mode of association of the drug. Modeling and molecular mechanics energy minimization demonstrate that a novel structure in which the two quinoxaline rings of the drug binds in the minor groove of the duplex is possible
Energy Technology Data Exchange (ETDEWEB)
Sudasinghe, Nilusha; Cort, John R.; Hallen, Richard T.; Olarte, Mariefel V.; Schmidt, Andrew J.; Schaub, Tanner
2014-12-01
Hydrothermal liquefaction (HTL) crude oil and hydrotreated product from pine tree farm waste (forest product residual, FPR) have been analyzed by direct infusion electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS) in both positive- and negative-ionization modes and high-resolution twodimensional heteronuclear 1H-13C NMR spectroscopy. FT-ICR MS resolves thousands of compounds in complex oils and provides unparalleled compositional details for individual molecules for identification of compound class (heteroatom content), type (number of rings plus double bonds to carbon or double bond equivalents (DBE) and carbon number (degree of alkylation). Heteronuclear 1H-13C NMR spectroscopy provides one-bond and multiple-bond correlations between pairs of 1H and 13C chemical shifts that are characteristic of different organic functional groups. Taken together this information provides a picture of the chemical composition of these oils. Pyrolysis crude oil product from pine wood was characterized for comparison. Generally, pyrolysis oil is comprised of a more diverse distribution of heteroatom classes with higher oxygen number relative to HTL oil as shown by both positive- and negative-ion ESI FT-ICR MS. A total of 300 N1, 594 O1 and 267 O2 compounds were observed as products of hydrotreatment. The relative abundance of N1O1, N1O2, N1O3, N2, N2O1, N2O2 and O3 compounds are reduced to different degrees after hydrotreatment and other higher heteroatom containing species (O4-O10, N1O4, N1O5 and N2O3) are completely removed by hydrotreatment.
Quasi-two-dimensional holography
International Nuclear Information System (INIS)
Kutzner, J.; Erhard, A.; Wuestenberg, H.; Zimpfer, J.
1980-01-01
The acoustical holography with numerical reconstruction by area scanning is memory- and time-intensive. With the experiences by the linear holography we tried to derive a scanning for the evaluating of the two-dimensional flaw-sizes. In most practical cases it is sufficient to determine the exact depth extension of a flaw, whereas the accuracy of the length extension is less critical. For this reason the applicability of the so-called quasi-two-dimensional holography is appropriate. The used sound field given by special probes is divergent in the inclined plane and light focussed in the perpendicular plane using cylindrical lenses. (orig.) [de
International Nuclear Information System (INIS)
Weiss, M.A.; Shoelson, S.E.; Nguyen, D.T.; O'Shea, E.; Karplus, M.; Khait, I.; Neuringer, L.J.; Inouye, K.; Frank, B.H.; Beckage, M.
1989-01-01
The aromatic 1 H NMR resonances of the insulin monomer are assigned at 500 MHz by comparative studies of chemically modified and genetically altered variants, including a mutant insulin (PheB25 → Leu) associated with diabetes mellitus. The two histidines, three phenylalanines, and four tyrosines are observed to be in distinct local environments; their assignment provides sensitive markers for studies of tertiary structure, protein dynamics, and protein folding. The environments of the tyrosine residues have also been investigated by photochemically induced dynamic nuclear polarization (photo-CIDNP) and analyzed in relation to packing constrains in the crystal structures of insulin. Dimerization involving specific B-chain interactions is observed with increasing protein concentration and is shown to depend on temperature, pH, and solvent composition. The differences between proinsulin and mini-proinsulin suggest a structural mechanism for the observation that the fully reduced B29-A1 analogue folds more efficiently than proinsulin to form the correct pattern of disulfide bonds. These results are discussed in relation to molecular mechanics calculations of insulin based on the available crystal structures
Chacon-Madrid, Heber J; Murphy, Benjamin N; Pandis, Spyros N; Donahue, Neil M
2012-10-16
We use a two-dimensional volatility basis set (2D-VBS) box model to simulate secondary organic aerosol (SOA) mass yields of linear oxygenated molecules: n-tridecanal, 2- and 7-tridecanone, 2- and 7-tridecanol, and n-pentadecane. A hybrid model with explicit, a priori treatment of the first-generation products for each precursor molecule, followed by a generic 2D-VBS mechanism for later-generation chemistry, results in excellent model-measurement agreement. This strongly confirms that the 2D-VBS mechanism is a predictive tool for SOA modeling but also suggests that certain important first-generation products for major primary SOA precursors should be treated explicitly for optimal SOA predictions.
International Nuclear Information System (INIS)
Ouyang, J T; Callegari, Th; Caillier, B; Boeuf, J-P
2003-01-01
In this paper we use a two-dimensional fluid model and a 'macroscopic' PDP cell to investigate the possibility of using large gap configurations with auxiliary electrodes to improve the efficiency of PDP discharge cells. The large gap allows operation in a transient positive column regime where energy is more efficiently deposited into xenon excitation, while the auxiliary electrodes are used to keep reasonable values of the operating voltage. Two types of auxiliary electrode configurations (floating and powered) are considered. The discharge characteristics and the discharge efficiency in exciting xenon are studied with simulations and by measuring the intensity of infrared emission from xenon and visible emission from neon in a macroscopic PDP cell. The results show that an efficient positive column regime can be achieved at reasonably low operating voltages when the auxiliary electrode configuration is carefully designed
Energy Technology Data Exchange (ETDEWEB)
Faral, B.; Fabbro, R. (Laboratoire d' Utilisation des Lasers Intenses, Ecole Polytechnique, 91128 Palaiseau Cedex, (France)); Virmont, J. (Laboratoire de Physique des Milieux Ionises, Ecole Polytechnique, 91128 Palaiseau Cedex, (France)); Cottet, F.; Romain, J.P. (Laboratoire d' Energetique et de Detonique, Ecole Nationale Superieure de Mecanique et d' Aerotechnique, 86034 Poitiers, (France)); Pepin, H. (Institut National de la Recherche Scientifique Energie, Montreal, (Canada))
1990-02-01
A 12 {mu}m polyester foil is accelerated by a 0.26 {mu}m wavelength laser and collides with a 15 {mu}m thick molybdenum foil. The accelerating pressure is 45 Mbar (laser intensity{approx}3-- 4{times}10{sup 14} W/cm{sup 2}) and gives to the polyester foil a velocity of about 160 km/sec. The measurement of the shock pressure induced in the impacted foil is made with an improved step technique. When the initial spacing between the two foils is too large compared to the focal spot radius, i.e., larger than 20--30 {mu}m, the different experimental results cannot be reproduced with one-dimensional simulations; this is only possible by using a two-dimensional Lagrangian code that has been developed and that takes into account the strong deformation of the accelerated foil. Finally, even with the low level of x-ray heating due to the ablation plasma, multihundred megabar pressures can be obtained within a very short time.
International Nuclear Information System (INIS)
Faral, B.; Fabbro, R.; Virmont, J.; Cottet, F.; Romain, J.P.; Pepin, H.
1990-01-01
A 12 μm polyester foil is accelerated by a 0.26 μm wavelength laser and collides with a 15 μm thick molybdenum foil. The accelerating pressure is 45 Mbar (laser intensity∼3-- 4x10 14 W/cm 2 ) and gives to the polyester foil a velocity of about 160 km/sec. The measurement of the shock pressure induced in the impacted foil is made with an improved step technique. When the initial spacing between the two foils is too large compared to the focal spot radius, i.e., larger than 20--30 μm, the different experimental results cannot be reproduced with one-dimensional simulations; this is only possible by using a two-dimensional Lagrangian code that has been developed and that takes into account the strong deformation of the accelerated foil. Finally, even with the low level of x-ray heating due to the ablation plasma, multihundred megabar pressures can be obtained within a very short time
Yu, Zhicong; Noo, Frédéric; Dennerlein, Frank; Wunderlich, Adam; Lauritsch, Günter; Hornegger, Joachim
2012-07-07
Mathematical phantoms are essential for the development and early stage evaluation of image reconstruction algorithms in x-ray computed tomography (CT). This note offers tools for computer simulations using a two-dimensional (2D) phantom that models the central axial slice through the FORBILD head phantom. Introduced in 1999, in response to a need for a more robust test, the FORBILD head phantom is now seen by many as the gold standard. However, the simple Shepp-Logan phantom is still heavily used by researchers working on 2D image reconstruction. Universal acceptance of the FORBILD head phantom may have been prevented by its significantly higher complexity: software that allows computer simulations with the Shepp-Logan phantom is not readily applicable to the FORBILD head phantom. The tools offered here address this problem. They are designed for use with Matlab®, as well as open-source variants, such as FreeMat and Octave, which are all widely used in both academia and industry. To get started, the interested user can simply copy and paste the codes from this PDF document into Matlab® M-files.
International Nuclear Information System (INIS)
Yu Zhicong; Noo, Frédéric; Wunderlich, Adam; Dennerlein, Frank; Lauritsch, Günter; Hornegger, Joachim
2012-01-01
Mathematical phantoms are essential for the development and early stage evaluation of image reconstruction algorithms in x-ray computed tomography (CT). This note offers tools for computer simulations using a two-dimensional (2D) phantom that models the central axial slice through the FORBILD head phantom. Introduced in 1999, in response to a need for a more robust test, the FORBILD head phantom is now seen by many as the gold standard. However, the simple Shepp–Logan phantom is still heavily used by researchers working on 2D image reconstruction. Universal acceptance of the FORBILD head phantom may have been prevented by its significantly higher complexity: software that allows computer simulations with the Shepp–Logan phantom is not readily applicable to the FORBILD head phantom. The tools offered here address this problem. They are designed for use with Matlab®, as well as open-source variants, such as FreeMat and Octave, which are all widely used in both academia and industry. To get started, the interested user can simply copy and paste the codes from this PDF document into Matlab® M-files. (note)
International Nuclear Information System (INIS)
Moesinger, H.
1979-08-01
The computer program DRIX-2D has been developed from SOLA-DF. The essential elements of the program structure are described. In order to verify DRIX-2D an Edwards-Blowdown-Experiment is calculated and other numerical results are compared with steady state experiments and models. Numerical experiments on transient two-phase flow, occurring in the broken pipe of a PWR in the case of a hypothetic LOCA, are performed. The essential results of the two-dimensional calculations are: 1. The appearance of a radial profile of void-fraction, velocity, sound speed and mass flow-rate inside the blowdown nozzle. The reason for this is the flow contraction at the nozzle inlet leading to more vapour production in the vicinity of the pipe wall. 2. A comparison between modelling in axisymmetric and Cartesian coordinates and calculations with and without the core barrel show the following: a) The three-dimensional flow pattern at the nozzle inlet is poorly described using Cartesian coordinates. In consequence a considerable difference in pressure history results. b) The core barrel alters the reflection behaviour of the pressure waves oscillating in the blowdown-nozzle. Therefore, the core barrel should be modelled as a wall normal to the nozzle axis. (orig./HP) [de
DEFF Research Database (Denmark)
Yelle, Daniel J.; Kaparaju, Laxmi-Narasimha Prasad; Hunt, Christopher G.
2013-01-01
correlation spectroscopy, via an heteronuclear single quantum coherence experiment, revealed substantial lignin β-aryl ether cleavage, deacetylation via cleavage of the natural acetates at the 2-O- and 3-O-positions of xylan, and uronic acid depletion via cleavage of the (1 → 2)-linked 4-O....... g., further deacylation revealed by the depletion in ferulate and p-coumarate structures). Supplementary chemical analyses showed that the hydrothermal pretreatment increased the cellulose and lignin concentration with partial removal of extractives and hemicelluloses. The subsequent enzymatic...
Development of Two-Dimensional NMR
Indian Academy of Sciences (India)
IAS Admin
time domain, allowing the application of multiple pulses and giving rise to the subject ... case of saturation, change the intensity of 'nearest-neighbours-in- space' by .... and I reached Zürich to work in the 'joint' project for one year. I was given a ...
Osserman, Robert
2011-01-01
The basic component of several-variable calculus, two-dimensional calculus is vital to mastery of the broader field. This extensive treatment of the subject offers the advantage of a thorough integration of linear algebra and materials, which aids readers in the development of geometric intuition. An introductory chapter presents background information on vectors in the plane, plane curves, and functions of two variables. Subsequent chapters address differentiation, transformations, and integration. Each chapter concludes with problem sets, and answers to selected exercises appear at the end o
International Nuclear Information System (INIS)
Schroer, Bert; Freie Universitaet, Berlin
2005-02-01
It is not possible to compactly review the overwhelming literature on two-dimensional models in a meaningful way without a specific viewpoint; I have therefore tacitly added to the above title the words 'as theoretical laboratories for general quantum field theory'. I dedicate this contribution to the memory of J. A. Swieca with whom I have shared the passion of exploring 2-dimensional models for almost one decade. A shortened version of this article is intended as a contribution to the project 'Encyclopedia of mathematical physics' and comments, suggestions and critical remarks are welcome. (author)
Two-dimensional nuclear magnetic resonance of quadrupolar systems
Energy Technology Data Exchange (ETDEWEB)
Wang, Shuanhu [Univ. of California, Berkeley, CA (United States)
1997-09-01
This dissertation describes two-dimensional nuclear magnetic resonance theory and experiments which have been developed to study quadruples in the solid state. The technique of multiple-quantum magic-angle spinning (MQMAS) is extensively reviewed and expanded upon in this thesis. Specifically, MQMAS is first compared with another technique, dynamic-angle spinning (DAS). The similarity between the two techniques allows us to extend much of the DAS work to the MQMAS case. Application of MQMAS to a series of aluminum containing materials is then presented. The superior resolution enhancement through MQMAS is exploited to detect the five- and six-coordinated aluminum in many aluminosilicate glasses. Combining the MQMAS method with other experiments, such as HETCOR, greatly expands the possibility of the use of MQMAS to study a large range of problems and is demonstrated in Chapter 5. Finally, the technique switching-angle spinning (SAS) is applied to quadrupolar nuclei to fully characterize a quadrupolar spin system in which all of the 8 NMR parameters are accurately determined. This dissertation is meant to demonstrate that with the combination of two-dimensional NMR concepts and new advanced spinning technologies, a series of multiple-dimensional NMR techniques can be designed to allow a detailed study of quadrupolar nuclei in the solid state.
Two-dimensional ferroelectrics
Energy Technology Data Exchange (ETDEWEB)
Blinov, L M; Fridkin, Vladimir M; Palto, Sergei P [A.V. Shubnikov Institute of Crystallography, Russian Academy of Sciences, Moscow, Russian Federaion (Russian Federation); Bune, A V; Dowben, P A; Ducharme, Stephen [Department of Physics and Astronomy, Behlen Laboratory of Physics, Center for Materials Research and Analysis, University of Nebraska-Linkoln, Linkoln, NE (United States)
2000-03-31
The investigation of the finite-size effect in ferroelectric crystals and films has been limited by the experimental conditions. The smallest demonstrated ferroelectric crystals had a diameter of {approx}200 A and the thinnest ferroelectric films were {approx}200 A thick, macroscopic sizes on an atomic scale. Langmuir-Blodgett deposition of films one monolayer at a time has produced high quality ferroelectric films as thin as 10 A, made from polyvinylidene fluoride and its copolymers. These ultrathin films permitted the ultimate investigation of finite-size effects on the atomic thickness scale. Langmuir-Blodgett films also revealed the fundamental two-dimensional character of ferroelectricity in these materials by demonstrating that there is no so-called critical thickness; films as thin as two monolayers (1 nm) are ferroelectric, with a transition temperature near that of the bulk material. The films exhibit all the main properties of ferroelectricity with a first-order ferroelectric-paraelectric phase transition: polarization hysteresis (switching); the jump in spontaneous polarization at the phase transition temperature; thermal hysteresis in the polarization; the increase in the transition temperature with applied field; double hysteresis above the phase transition temperature; and the existence of the ferroelectric critical point. The films also exhibit a new phase transition associated with the two-dimensional layers. (reviews of topical problems)
International Nuclear Information System (INIS)
Black, D.C.; Mayo, R.M.; Gerwin, R.A.; Schoenberg, K.F.; Scheuer, J.T.; Hoyt, R.P.; Henins, I.
1994-01-01
Local, time-dependent magnetic field measurements have been made in the Los Alamos coaxial thruster experiment (CTX) [C. W. Barnes et al., Phys. Fluids B 2, 1871 (1990); J. C. Fernandez et al., Nucl. Fusion 28, 1555 (1988)] using a 24 coil magnetic probe array (eight spatial positions, three axis probes). The CTX is a magnetized, coaxial plasma gun presently being used to investigate the viability of high pulsed power plasma thrusters for advanced electric propulsion. Previous efforts on this device have indicated that high pulsed power plasma guns are attractive candidates for advanced propulsion that employ ideal magnetohydrodynamic (MHD) plasma stream flow through self-formed magnetic nozzles. Indirect evidence of magnetic nozzle formation was obtained from plasma gun performance and measurements of directed axial velocities up to v z ∼10 7 cm/s. The purpose of this work is to make direct measurement of the time evolving magnetic field topology. The intent is to both identify that applied magnetic field distortion by the highly conductive plasma is occurring, and to provide insight into the details of discharge evolution. Data from a magnetic fluctuation probe array have been used to investigate the details of applied magnetic field deformation through the reconstruction of time-dependent flux profiles. Experimentally observed magnetic field line distortion has been compared to that predicted by a simple one-dimensional (1-D) model of the discharge channel. Such a comparison is utilized to estimate the axial plasma velocity in the thruster. Velocities determined in this manner are in approximate agreement with the predicted self-field magnetosonic speed and those measured by a time-of-flight spectrometer
Graphical programming for pulse automated NMR experiments
International Nuclear Information System (INIS)
Belmonte, S.B.; Oliveira, I.S.; Guimaraes, A.P.
1999-01-01
We describe a software program designed to control a broadband pulse Nuclear Magnetic Resonance (NMR) spectrometer used in zero-field NMR studies of magnetic metals. The software is written in the graphical language LabVIEW. This type of programming allows modifications and the inclusion of new routines to be easily made by the non-specialist, without changing the basic structure of the program. The program corrects for differences in the gain of the two acquisition channels [U (phase) and V (quadrature)], and automatic baseline subtraction. We present examples of measurements of NMR spectra, spin-echo decay (T 2 ), and quadrupolar oscillations, performed in magnetic intermetallic compounds. (author)
Selective sensitivity enhancement in FT-NMR
International Nuclear Information System (INIS)
Farrar, T.C.
1987-01-01
In this article the basic two-spin nuclear magnetic resonance (NMR) experiment and the new sensitivity enhancement experiments are reviewed. In part two of this two-part series an overview of two-dimensional NMR experiments will be presented. Part two will appear in the June 1 issue of Analytical Chemistry
Optimization and practical implementation of ultrafast 2D NMR experiments
Energy Technology Data Exchange (ETDEWEB)
Queiroz Junior, Luiz H. K., E-mail: professorkeng@gmail.com [Universidade Federal de Sao Carlos (UFSC), SP (Brazil). Departamento de Quimica; Universidade Federal de Goias (UFGO), Goiania, GO (Brazil). Inst. de Quimica; Ferreira, Antonio G. [Universidade Federal de Sao Carlos (UFSC), SP (Brazil). Departamento de Quimica; Giraudeau, Patrick [Universite de Nantes (France). CNRS, Chimie et Interdisciplinarite: Synthese, Analyse, Modelisation
2013-09-01
Ultrafast 2D NMR is a powerful methodology that allows recording of a 2D NMR spectrum in a fraction of second. However, due to the numerous non-conventional parameters involved in this methodology its implementation is no trivial task. Here, an optimized experimental protocol is carefully described to ensure efficient implementation of ultrafast NMR. The ultrafast spectra resulting from this implementation are presented based on the example of two widely used 2D NMR experiments, COSY and HSQC, obtained in 0.2 s and 41 s, respectively. (author)
International Nuclear Information System (INIS)
Tahir, N.A.; Kim, V.; Lamour, E.; Lomonosov, I.V.; Piriz, A.R.; Rozet, J.P.; Stöhlker, Th.; Sultanov, V.; Vernhet, D.
2012-01-01
In this paper we report on two-dimensional numerical simulations of heating of a rotating, wheel shaped target impacted by the full intensity of the ion beam that will be delivered by the SPIRAL2 facility at Caen, France. The purpose of this work is to study heating of solid targets that will be used to strip the fast ions of SPIRAL2 to the required high charge state for the FISIC (Fast Ion–Slow Ion Collision) experiments. Strippers of aluminum with different emissivities and of carbon are exposed to high beam current of different ion species as oxygen, neon and argon. These studies show that carbon, due to its much higher sublimation temperature and much higher emissivity, is more favorable compared to aluminum. For the highest beam intensities, an aluminum stripper does not survive. However, problem of the induced thermal stresses and long term material fatigue needs to be investigated before a final conclusion can be drawn.
NMR data-driven structure determination using NMR-I-TASSER in the CASD-NMR experiment
Energy Technology Data Exchange (ETDEWEB)
Jang, Richard [Huazhong University of Science and Technology, School of Software Engineering (China); Wang, Yan [Huazhong University of Science and Technology, School of Life Science and Technology (China); Xue, Zhidong, E-mail: zdxue@hust.edu.cn [Huazhong University of Science and Technology, School of Software Engineering (China); Zhang, Yang, E-mail: zhng@umich.edu [University of Michigan, Department of Computational Medicine and Bioinformatics (United States)
2015-08-15
NMR-I-TASSER, an adaption of the I-TASSER algorithm combining NMR data for protein structure determination, recently joined the second round of the CASD-NMR experiment. Unlike many molecular dynamics-based methods, NMR-I-TASSER takes a molecular replacement-like approach to the problem by first threading the target through the PDB to identify structural templates which are then used for iterative NOE assignments and fragment structure assembly refinements. The employment of multiple templates allows NMR-I-TASSER to sample different topologies while convergence to a single structure is not required. Retroactive and blind tests of the CASD-NMR targets from Rounds 1 and 2 demonstrate that even without using NOE peak lists I-TASSER can generate correct structure topology with 15 of 20 targets having a TM-score above 0.5. With the addition of NOE-based distance restraints, NMR-I-TASSER significantly improved the I-TASSER models with all models having the TM-score above 0.5. The average RMSD was reduced from 5.29 to 2.14 Å in Round 1 and 3.18 to 1.71 Å in Round 2. There is no obvious difference in the modeling results with using raw and refined peak lists, indicating robustness of the pipeline to the NOE assignment errors. Overall, despite the low-resolution modeling the current NMR-I-TASSER pipeline provides a coarse-grained structure folding approach complementary to traditional molecular dynamics simulations, which can produce fast near-native frameworks for atomic-level structural refinement.
Zhao, Bin; Wang, Shuxiao; Donahue, Neil M; Chuang, Wayne; Hildebrandt Ruiz, Lea; Ng, Nga L; Wang, Yangjun; Hao, Jiming
2015-02-17
We evaluate the one-dimensional volatility basis set (1D-VBS) and two-dimensional volatility basis set (2D-VBS) in simulating the aging of SOA derived from toluene and α-pinene against smog-chamber experiments. If we simulate the first-generation products with empirical chamber fits and the subsequent aging chemistry with a 1D-VBS or a 2D-VBS, the models mostly overestimate the SOA concentrations in the toluene oxidation experiments. This is because the empirical chamber fits include both first-generation oxidation and aging; simulating aging in addition to this results in double counting of the initial aging effects. If the first-generation oxidation is treated explicitly, the base-case 2D-VBS underestimates the SOA concentrations and O:C increase of the toluene oxidation experiments; it generally underestimates the SOA concentrations and overestimates the O:C increase of the α-pinene experiments. With the first-generation oxidation treated explicitly, we could modify the 2D-VBS configuration individually for toluene and α-pinene to achieve good model-measurement agreement. However, we are unable to simulate the oxidation of both toluene and α-pinene with the same 2D-VBS configuration. We suggest that future models should implement parallel layers for anthropogenic (aromatic) and biogenic precursors, and that more modeling studies and laboratory research be done to optimize the "best-guess" parameters for each layer.
Phase transitions in two-dimensional systems
International Nuclear Information System (INIS)
Salinas, S.R.A.
1983-01-01
Some experiences are related using synchrotron radiation beams, to characterize solid-liquid (fusion) and commensurate solid-uncommensurate solid transitions in two-dimensional systems. Some ideas involved in the modern theories of two-dimensional fusion are shortly exposed. The systems treated consist of noble gases (Kr,Ar,Xe) adsorbed in the basal plane of graphite and thin films formed by some liquid crystal shells. (L.C.) [pt
First NMR Experiments in the Hybrid, 40T and beyond: A challenge to traditional NMR instrumentation
Reyes, Arneil P.
2001-03-01
The recent commissioning of the continuous 45T hybrid magnet at NHMFL has opened new horizon for science but carried with it new challenges that forced NMR spectroscopists to reevaluate the traditional approach to NMR instrumentation. Very recently, a world record frequency at 1.5GHz has been achieved, signaling the new era of NMR probe designs that may someday blur the distinction between the classic NMR and millimeter-wave spectroscopies. No longer can we ignore stray capacitances and exposed leads in the terrain where every millimeter of cable counts. The challenge brought about by ever increasing fields and consequently, frequency, requirements has stimulated ingenuity among scientists. This is eased by accelerated growth in RF communications and computing technologies that made available advanced devices with more speed, power, bandwidth, noise immunity, flexibility, and complexity in small space at very low costs. Utilization of these devices have been paramount consideration in cutting-edge designs at NHMFL for Condensed Matter NMR and will be described in this talk. I will also discuss a number of first >33T NMR experiments to date utilizing the strength of the field to expose, as well as to induce occurrence of, new physical phenomena in condensed matter and which resulted in better understanding of the physics of materials. This work has been a result of continuing collaboration with P. L Kuhns, W. G. Moulton, W. P. Halperin (NU), and W. G. Clark (UCLA). The NHMFL is supported through the National Science Foundation and the State of Florida.
International Nuclear Information System (INIS)
Oyama, Yukio; Yamaguchi, Seiya; Maekawa, Hiroshi
1985-03-01
Calculational analyses were made on the time-of-flight experiment of neutron leakage spectra from lithium-oxide slabs. The uncertainties in the calculation due to modelling were examined and it was estimated to be 1-2 %. The calculational results were compared with the experimental ones. The calculations were carried out by a two-dimensional transport code DOT3.5 using ENDF/B-4 nuclear data file. The comparison of energy-integrated fluxes in C/E from made it clear that the tendency of discrepancy between both results depended on the thickness of assembly and leaking angle. The discrepancy of C/E was about 40 % at the maximum. The effect due to the cross section change to a new data of 7 Li(n,n't) 4 He was also examined. This type of comparison is useful for the systematic assesments. From the comparison, it was suggested that the angular distribution of secondary neutron should be improved in the calculation, and the correct differential data of cross section are required. (author)
International Nuclear Information System (INIS)
Kneeland, J.B.; Lee, B.C.P.; Whalen, J.P.; Knowles, R.J.R.; Cahill, P.T.
1984-01-01
Although still quite new, NMR imaging has already emerged as a safe, noninvasive, painless, and effective diagnostic modality requiring no ionizing radiation. Also, NMR appears already to have established itself as the method of choice for the examination of the brain spinal cord (excluding herniated disks). Another area in which NMR excels is in the examination of the pelvis. The use of surface coils offers the promise of visualizing structures with resolution unobtainable by any other means. In addition, NMR, with its superb visualization of vascular structures and potential ability to measure flow, may soon revolutionize the diagnosis of cardiovascular disease. Finally, NMR, through biochemically and physiologically based T/sub 1/ and T/sub 2/ indices or through spectroscopy, may provide a means of monitoring therapeutic response so as to permit tailoring of treatment to the individual patient. In short, NMR is today probably at the same stage as the x-ray was in Roentgen's day
2013-01-01
Background Two-dimensional gel electrophoresis (2DE) is one of the most popular methods in proteomics. Currently, most 2DE experiments are performed using immobilized pH gradient (IPG) in the first dimension; however, some laboratories still use carrier ampholytes-based isoelectric focusing technique. The aim of this study was to directly compare IPG-based and non-equilibrium pH gradient electrophoresis (NEPHGE)-based 2DE techniques by using the same samples and identical second dimension procedures. We have used commercially available Invitrogen ZOOM IPGRunner and WITAvision systems for IPG and NEPHGE, respectively. The effectiveness of IPG-based and NEPHGE-based 2DE methods was compared by analysing differential protein expression during cytosolic unfolded protein response (UPR-Cyto) in Saccharomyces cerevisiae. Results Protein loss during 2DE procedure was higher in IPG-based method, especially for basic (pI > 7) proteins. Overall reproducibility of spots was slightly better in NEPHGE-based method; however, there was a marked difference when evaluating basic and acidic protein spots. Using Coomassie staining, about half of detected basic protein spots were not reproducible by IPG-based 2DE, whereas NEPHGE-based method showed excellent reproducibility in the basic gel zone. The reproducibility of acidic proteins was similar in both methods. Absolute and relative volume variability of separate protein spots was comparable in both 2DE techniques. Regarding proteomic analysis of UPR-Cyto, the results exemplified parameters of general comparison of the methods. New highly basic protein Sis1p, overexpressed during UPR-Cyto stress, was identified by NEPHGE-based 2DE method, whereas IPG-based method showed unreliable results in the basic pI range and did not provide any new information on basic UPR-Cyto proteins. In the acidic range, the main UPR-Cyto proteins were detected and quantified by both methods. The drawback of NEPHGE-based 2DE method is its failure to
Cation Hydration Constants by Proton NMR: A Physical Chemistry Experiment.
Smith, Robert L.; And Others
1988-01-01
Studies the polarization effect on water by cations and anions. Describes an experiment to illustrate the polarization effect of sodium, lithium, calcium, and strontium ions on the water molecule in the hydration spheres of the ions. Analysis is performed by proton NMR. (MVL)
Two-dimensional metamaterial optics
International Nuclear Information System (INIS)
Smolyaninov, I I
2010-01-01
While three-dimensional photonic metamaterials are difficult to fabricate, many new concepts and ideas in the metamaterial optics can be realized in two spatial dimensions using planar optics of surface plasmon polaritons. In this paper we review recent progress in this direction. Two-dimensional photonic crystals, hyperbolic metamaterials, and plasmonic focusing devices are demonstrated and used in novel microscopy and waveguiding schemes
NMR study of hyper-polarized 129Xe and applications to liquid-phase NMR experiments
International Nuclear Information System (INIS)
Marion, D.
2008-07-01
In liquid samples where both nuclear polarization and spin density are strong, the magnetization dynamics, which can be analysed by NMR (nuclear magnetic resonance) methods, is deeply influenced by the internal couplings induced by local dipolar fields. The present thesis describes some of the many consequences associated to the presence in the sample of concentrated xenon hyper-polarized by an optical pumping process. First, we deal with the induced modifications in frequency and line width of the proton and xenon spectra, then we present the results of SPIDER, a coherent polarization transfer experiment designed to enhance the polarization of protons, in order to increase their NMR signal level. A third part is dedicated to the description of the apparition of repeated chaotic maser emissions by un unstable xenon magnetization coupled to the detection coil tuned at the xenon Larmor frequency (here 138 MHz). In the last part, we present a new method allowing a better tuning of any NMR detection probe and resulting in sensible gains in terms of sensitivity and signal shaping. Finally, we conclude with a partial questioning of the classical relaxation theory in the specific field of highly polarized and concentrated spin systems in a liquid phase. (author)
International Nuclear Information System (INIS)
Gober, J.R.
1988-01-01
The equilibrium chemical exchange dynamics of the creatine kinase enzyme system were studied by one- and two-dimensional 31 P NMR techniques. Pseudo-first-order reaction rate constants were measured by the saturation transfer method under an array of experimental conditions of pH and temperature. Quantitative one-dimensional spectra were collected under the same conditions in order to calculate the forward and reverse reaction rates, the K eq , the hydrogen ion stoichiometry, and the standard thermodynamic functions. The pure absorption mode in four quadrant two-dimensional chemical exchange experiment was employed so that the complete kinetic matrix showing all of the chemical exchange process could be realized
Computer simulation of FT-NMR multiple pulse experiment
Allouche, A.; Pouzard, G.
1989-04-01
Using the product operator formalism in its real form, SIMULDENS expands the density matrix of a scalar coupled nuclear spin system and simulates analytically a large variety of FT-NMR multiple pulse experiments. The observable transverse magnetizations are stored and can be combined to represent signal accumulation. The programming language is VAX PASCAL, but a MacIntosh Turbo Pascal Version is also available.
Computer simulation of FT-NMR multiple pulse experiment
International Nuclear Information System (INIS)
Allouche, A.; Pouzard, G.
1989-01-01
Using the product operator formalism in its real form, SIMULDENS expands the density matrix of a scalar coupled nuclear spin system and simulates analytically a large variety of FT-NMR multiple pulse experiments. The observable transverse magnetizations are stored and can be combined to represent signal accumulation. The programming language is VAX PASCAL, but a MacIntosh Turbo Pascal Version is also available. (orig.)
Two-dimensional flexible nanoelectronics
Akinwande, Deji; Petrone, Nicholas; Hone, James
2014-12-01
2014/2015 represents the tenth anniversary of modern graphene research. Over this decade, graphene has proven to be attractive for thin-film transistors owing to its remarkable electronic, optical, mechanical and thermal properties. Even its major drawback--zero bandgap--has resulted in something positive: a resurgence of interest in two-dimensional semiconductors, such as dichalcogenides and buckled nanomaterials with sizeable bandgaps. With the discovery of hexagonal boron nitride as an ideal dielectric, the materials are now in place to advance integrated flexible nanoelectronics, which uniquely take advantage of the unmatched portfolio of properties of two-dimensional crystals, beyond the capability of conventional thin films for ubiquitous flexible systems.
Two-dimensional topological photonics
Khanikaev, Alexander B.; Shvets, Gennady
2017-12-01
Originating from the studies of two-dimensional condensed-matter states, the concept of topological order has recently been expanded to other fields of physics and engineering, particularly optics and photonics. Topological photonic structures have already overturned some of the traditional views on wave propagation and manipulation. The application of topological concepts to guided wave propagation has enabled novel photonic devices, such as reflection-free sharply bent waveguides, robust delay lines, spin-polarized switches and non-reciprocal devices. Discrete degrees of freedom, widely used in condensed-matter physics, such as spin and valley, are now entering the realm of photonics. In this Review, we summarize the latest advances in this highly dynamic field, with special emphasis on the experimental work on two-dimensional photonic topological structures.
Two-dimensional thermofield bosonization
International Nuclear Information System (INIS)
Amaral, R.L.P.G.; Belvedere, L.V.; Rothe, K.D.
2005-01-01
The main objective of this paper was to obtain an operator realization for the bosonization of fermions in 1 + 1 dimensions, at finite, non-zero temperature T. This is achieved in the framework of the real-time formalism of Thermofield Dynamics. Formally, the results parallel those of the T = 0 case. The well-known two-dimensional Fermion-Boson correspondences at zero temperature are shown to hold also at finite temperature. To emphasize the usefulness of the operator realization for handling a large class of two-dimensional quantum field-theoretic problems, we contrast this global approach with the cumbersome calculation of the fermion-current two-point function in the imaginary-time formalism and real-time formalisms. The calculations also illustrate the very different ways in which the transmutation from Fermi-Dirac to Bose-Einstein statistics is realized
Two-dimensional critical phenomena
International Nuclear Information System (INIS)
Saleur, H.
1987-09-01
Two dimensional critical systems are studied using transformation to free fields and conformal invariance methods. The relations between the two approaches are also studied. The analytical results obtained generally depend on universality hypotheses or on renormalization group trajectories which are not established rigorously, so numerical verifications, mainly using the transfer matrix approach, are presented. The exact determination of critical exponents; the partition functions of critical models on toruses; and results as the critical point is approached are discussed [fr
Two dimensional unstable scar statistics.
Energy Technology Data Exchange (ETDEWEB)
Warne, Larry Kevin; Jorgenson, Roy Eberhardt; Kotulski, Joseph Daniel; Lee, Kelvin S. H. (ITT Industries/AES Los Angeles, CA)
2006-12-01
This report examines the localization of time harmonic high frequency modal fields in two dimensional cavities along periodic paths between opposing sides of the cavity. The cases where these orbits lead to unstable localized modes are known as scars. This paper examines the enhancements for these unstable orbits when the opposing mirrors are both convex and concave. In the latter case the construction includes the treatment of interior foci.
International Nuclear Information System (INIS)
Silagadze, Z.K.
2007-01-01
Two-dimensional generalization of the original peak finding algorithm suggested earlier is given. The ideology of the algorithm emerged from the well-known quantum mechanical tunneling property which enables small bodies to penetrate through narrow potential barriers. We merge this 'quantum' ideology with the philosophy of Particle Swarm Optimization to get the global optimization algorithm which can be called Quantum Swarm Optimization. The functionality of the newborn algorithm is tested on some benchmark optimization problems
Quick, sensitive serial NMR experiments with Radon transform.
Dass, Rupashree; Kasprzak, Paweł; Kazimierczuk, Krzysztof
2017-09-01
The Radon transform is a potentially powerful tool for processing the data from serial spectroscopic experiments. It makes it possible to decode the rate at which frequencies of spectral peaks shift under the effect of changing conditions, such as temperature, pH, or solvent. In this paper we show how it also improves speed and sensitivity, especially in multidimensional experiments. This is particularly important in the case of low-sensitivity techniques, such as NMR spectroscopy. As an example, we demonstrate how Radon transform processing allows serial measurements of 15 N-HSQC spectra of unlabelled peptides that would otherwise be infeasible. Copyright © 2017 Elsevier Inc. All rights reserved.
Two dimensional infinite conformal symmetry
International Nuclear Information System (INIS)
Mohanta, N.N.; Tripathy, K.C.
1993-01-01
The invariant discontinuous (discrete) conformal transformation groups, namely the Kleinian and Fuchsian groups Gamma (with an arbitrary signature) of H (the Poincare upper half-plane l) and the unit disc Delta are explicitly constructed from the fundamental domain D. The Riemann surface with signatures of Gamma and conformally invariant automorphic forms (functions) with Peterson scalar product are discussed. The functor, where the category of complex Hilbert spaces spanned by the space of cusp forms constitutes the two dimensional conformal field theory. (Author) 7 refs
Two-dimensional liquid chromatography
DEFF Research Database (Denmark)
Græsbøll, Rune
-dimensional separation space. Optimization of gradients in online RP×RP is more difficult than in normal HPLC as a result of the increased number of parameters and their influence on each other. Modeling the coverage of the compounds across the two-dimensional chromatogram as a result of a change in gradients could...... be used for optimization purposes, and reduce the time spend on optimization. In this thesis (chapter 6), and manuscript B, a measure of the coverage of the compounds in the twodimensional separation space is defined. It is then shown that this measure can be modeled for changes in the gradient in both...
International Nuclear Information System (INIS)
Thomas, P.D.; Basus, V.J.; James, T.L.
1991-01-01
Solution structures for many proteins have been determined to date utilizing interproton distance constraints estimated from two-dimensional nuclear Overhauser effect (2D NOE) spectra. Although the simple isolated spin pair approximation (ISPA) generally used can result in systematic errors in distances, the large number of constraints enables proteins structure to be defined with reasonably high resolution. Effects of these systematic errors on the resulting protein structure are examined. Iterative relaxation matrix calculations, which account for dipolar interactions between all protons in a molecule, can accurately determine internuclear distances with little or no a priori knowledge of the molecular structure. The value of this additional complexity is also addressed. To assess these distance determination methods, hypothetical experimental data, including random noise and peak overlap, are calculated for an arbitrary true protein structure. Three methods of obtaining distance constraints from 2D NOE peak intensities are examined: one entails a conservative use of ISPA, one assumes the ISPA to be fairly accurate, and on utilizes an iterative relaxation matrix method called MARDIGRAS (matrix analysis of relaxation for discerning the geometry of an aqueous structure), developed in this laboratory. An R factor for evaluating fit between experimental and calculated 2D NOE intensities is proposed
Two-dimensional capillary origami
Energy Technology Data Exchange (ETDEWEB)
Brubaker, N.D., E-mail: nbrubaker@math.arizona.edu; Lega, J., E-mail: lega@math.arizona.edu
2016-01-08
We describe a global approach to the problem of capillary origami that captures all unfolded equilibrium configurations in the two-dimensional setting where the drop is not required to fully wet the flexible plate. We provide bifurcation diagrams showing the level of encapsulation of each equilibrium configuration as a function of the volume of liquid that it contains, as well as plots representing the energy of each equilibrium branch. These diagrams indicate at what volume level the liquid drop ceases to be attached to the endpoints of the plate, which depends on the value of the contact angle. As in the case of pinned contact points, three different parameter regimes are identified, one of which predicts instantaneous encapsulation for small initial volumes of liquid. - Highlights: • Full solution set of the two-dimensional capillary origami problem. • Fluid does not necessarily wet the entire plate. • Global energy approach provides exact differential equations satisfied by minimizers. • Bifurcation diagrams highlight three different regimes. • Conditions for spontaneous encapsulation are identified.
Two-dimensional capillary origami
International Nuclear Information System (INIS)
Brubaker, N.D.; Lega, J.
2016-01-01
We describe a global approach to the problem of capillary origami that captures all unfolded equilibrium configurations in the two-dimensional setting where the drop is not required to fully wet the flexible plate. We provide bifurcation diagrams showing the level of encapsulation of each equilibrium configuration as a function of the volume of liquid that it contains, as well as plots representing the energy of each equilibrium branch. These diagrams indicate at what volume level the liquid drop ceases to be attached to the endpoints of the plate, which depends on the value of the contact angle. As in the case of pinned contact points, three different parameter regimes are identified, one of which predicts instantaneous encapsulation for small initial volumes of liquid. - Highlights: • Full solution set of the two-dimensional capillary origami problem. • Fluid does not necessarily wet the entire plate. • Global energy approach provides exact differential equations satisfied by minimizers. • Bifurcation diagrams highlight three different regimes. • Conditions for spontaneous encapsulation are identified.
Two-dimensional turbulent convection
Mazzino, Andrea
2017-11-01
We present an overview of the most relevant, and sometimes contrasting, theoretical approaches to Rayleigh-Taylor and mean-gradient-forced Rayleigh-Bénard two-dimensional turbulence together with numerical and experimental evidences for their support. The main aim of this overview is to emphasize that, despite the different character of these two systems, especially in relation to their steadiness/unsteadiness, turbulent fluctuations are well described by the same scaling relationships originated from the Bolgiano balance. The latter states that inertial terms and buoyancy terms balance at small scales giving rise to an inverse kinetic energy cascade. The main difference with respect to the inverse energy cascade in hydrodynamic turbulence [R. H. Kraichnan, "Inertial ranges in two-dimensional turbulence," Phys. Fluids 10, 1417 (1967)] is that the rate of cascade of kinetic energy here is not constant along the inertial range of scales. Thanks to the absence of physical boundaries, the two systems here investigated turned out to be a natural physical realization of the Kraichnan scaling regime hitherto associated with the elusive "ultimate state of thermal convection" [R. H. Kraichnan, "Turbulent thermal convection at arbitrary Prandtl number," Phys. Fluids 5, 1374-1389 (1962)].
Two-dimensional quantum repeaters
Wallnöfer, J.; Zwerger, M.; Muschik, C.; Sangouard, N.; Dür, W.
2016-11-01
The endeavor to develop quantum networks gave rise to a rapidly developing field with far-reaching applications such as secure communication and the realization of distributed computing tasks. This ultimately calls for the creation of flexible multiuser structures that allow for quantum communication between arbitrary pairs of parties in the network and facilitate also multiuser applications. To address this challenge, we propose a two-dimensional quantum repeater architecture to establish long-distance entanglement shared between multiple communication partners in the presence of channel noise and imperfect local control operations. The scheme is based on the creation of self-similar multiqubit entanglement structures at growing scale, where variants of entanglement swapping and multiparty entanglement purification are combined to create high-fidelity entangled states. We show how such networks can be implemented using trapped ions in cavities.
Energy Technology Data Exchange (ETDEWEB)
Yamasaki, Ryohei; Bacon, B. (Univ. of California, San Francisco (USA) Veterans Administration Medical Center, San Francisco, CA (USA))
1991-01-22
The solution conformations of the group B polysaccharide of Neisseria meningitidis were analyzed by DQF-COSY and pure absorption 2D NOE NMR with three mixing times. The pyranose ring of the sialic acid residue was found to be in the {sup 2}C{sub 5} conformation. The DQF-COSY analysis indicated that the orientations of H6 and H7 and of H7 and H8 are both gauche. In order to overcome the difficulties in analyzing the NOE data due to the two sets of proton overlaps, molecular modeling of {alpha}-2,8-linked sialic acid oligomers was carried out to investigate possible conformers, and theoretical NOE calculations were performed by using CORMA (complete relaxation matrix analysis). The analysis suggests that the polysaccharide adopts helical structures for which the {phi} (defined by O6-C2-O8-C8) and {psi} (C2-O8-C8-C7) angles are in the following ranges: {phi}-60 to 0{degree}, {psi} 115-175{degree} or {phi} 90-120{degree}, {psi}55-175{degree}. The weak affinity of anti-B antibodies for smaller {alpha}-2,8-linked oligosaccharides may be due to the fact that such oligomers are more flexible and may not form an ordered structure as the poly(sialic acid) does.
Study on two-dimensional induced signal readout of MRPC
International Nuclear Information System (INIS)
Wu Yucheng; Yue Qian; Li Yuanjing; Ye Jin; Cheng Jianping; Wang Yi; Li Jin
2012-01-01
A kind of two-dimensional readout electrode structure for the induced signal readout of MRPC has been studied in both simulation and experiments. Several MRPC prototypes are produced and a series of test experiments have been done to compare with the result of simulation, in order to verify the simulation model. The experiment results are in good agreement with those of simulation. This method will be used to design the two-dimensional signal readout mode of MRPC in the future work.
Energy Technology Data Exchange (ETDEWEB)
Coote, Paul, E-mail: paul-coote@hms.harvard.edu [Harvard Medical School (United States); Bermel, Wolfgang [Bruker BioSpin GmbH (Germany); Wagner, Gerhard; Arthanari, Haribabu, E-mail: hari@hms.harvard.edu [Harvard Medical School (United States)
2016-09-15
Active bandwidth and global quality factor are the two main metrics used to quantitatively compare the performance of TOCSY mixing sequences. Active bandwidth refers to the spectral region over which at least 50 % of the magnetization is transferred via a coupling. Global quality factor scores mixing sequences according to the worst-case transfer over a range of possible mixing times and chemical shifts. Both metrics reward high transfer efficiency away from the main diagonal of a two-dimensional spectrum. They can therefore be used to design mixing sequences that will function favorably in experiments. Here, we develop optimization methods tailored to these two metrics, including precise control of off-diagonal cross peak buildup rates. These methods produce square shaped transfer efficiency profiles, directly matching the desirable properties that the metrics are intended to measure. The optimization methods are analytical, rather than numerical. The two resultant shaped pulses have significantly higher active bandwidth and quality factor, respectively, than all other known sequences. They are therefore highly suitable for use in NMR spectroscopy. We include experimental verification of these improved waveforms on small molecule and protein samples.
Two-dimensional Semiconductor-Superconductor Hybrids
DEFF Research Database (Denmark)
Suominen, Henri Juhani
This thesis investigates hybrid two-dimensional semiconductor-superconductor (Sm-S) devices and presents a new material platform exhibiting intimate Sm-S coupling straight out of the box. Starting with the conventional approach, we investigate coupling superconductors to buried quantum well....... To overcome these issues we integrate the superconductor directly into the semiconducting material growth stack, depositing it in-situ in a molecular beam epitaxy system under high vacuum. We present a number of experiments on these hybrid heterostructures, demonstrating near unity interface transparency...
Directory of Open Access Journals (Sweden)
Julia Mehlhorn
Full Text Available Homing pigeons are known for their excellent homing ability, and their brains seem to be functionally adapted to homing. It is known that pigeons with navigational experience show a larger hippocampus and also a more lateralised brain than pigeons without navigational experience. So we hypothesized that experience may have an influence also on orientation ability. We examined two groups of pigeons (11 with navigational experience and 17 without in a standard operant chamber with a touch screen monitor showing a 2-D schematic of a rectangular environment (as "geometric" information and one uniquely shaped and colored feature in each corner (as "landmark" information. Pigeons were trained first for pecking on one of these features and then we examined their ability to encode geometric and landmark information in four tests by modifying the rectangular environment. All tests were done under binocular and monocular viewing to test hemispheric dominance. The number of pecks was counted for analysis. Results show that generally both groups orientate on the basis of landmarks and the geometry of environment, but landmark information was preferred. Pigeons with navigational experience did not perform better on the tests but showed a better conjunction of the different kinds of information. Significant differences between monocular and binocular viewing were detected particularly in pigeons without navigational experience on two tests with reduced information. Our data suggest that the conjunction of geometric and landmark information might be integrated after processing separately in each hemisphere and that this process is influenced by experience.
Mehlhorn, Julia; Rehkaemper, Gerd
2017-01-01
Homing pigeons are known for their excellent homing ability, and their brains seem to be functionally adapted to homing. It is known that pigeons with navigational experience show a larger hippocampus and also a more lateralised brain than pigeons without navigational experience. So we hypothesized that experience may have an influence also on orientation ability. We examined two groups of pigeons (11 with navigational experience and 17 without) in a standard operant chamber with a touch screen monitor showing a 2-D schematic of a rectangular environment (as "geometric" information) and one uniquely shaped and colored feature in each corner (as "landmark" information). Pigeons were trained first for pecking on one of these features and then we examined their ability to encode geometric and landmark information in four tests by modifying the rectangular environment. All tests were done under binocular and monocular viewing to test hemispheric dominance. The number of pecks was counted for analysis. Results show that generally both groups orientate on the basis of landmarks and the geometry of environment, but landmark information was preferred. Pigeons with navigational experience did not perform better on the tests but showed a better conjunction of the different kinds of information. Significant differences between monocular and binocular viewing were detected particularly in pigeons without navigational experience on two tests with reduced information. Our data suggest that the conjunction of geometric and landmark information might be integrated after processing separately in each hemisphere and that this process is influenced by experience.
Equilibrium: two-dimensional configurations
International Nuclear Information System (INIS)
Anon.
1987-01-01
In Chapter 6, the problem of toroidal force balance is addressed in the simplest, nontrivial two-dimensional geometry, that of an axisymmetric torus. A derivation is presented of the Grad-Shafranov equation, the basic equation describing axisymmetric toroidal equilibrium. The solutions to equations provide a complete description of ideal MHD equilibria: radial pressure balance, toroidal force balance, equilibrium Beta limits, rotational transform, shear, magnetic wall, etc. A wide number of configurations are accurately modeled by the Grad-Shafranov equation. Among them are all types of tokamaks, the spheromak, the reversed field pinch, and toroidal multipoles. An important aspect of the analysis is the use of asymptotic expansions, with an inverse aspect ratio serving as the expansion parameter. In addition, an equation similar to the Grad-Shafranov equation, but for helically symmetric equilibria, is presented. This equation represents the leading-order description low-Beta and high-Beta stellarators, heliacs, and the Elmo bumpy torus. The solutions all correspond to infinitely long straight helices. Bending such a configuration into a torus requires a full three-dimensional calculation and is discussed in Chapter 7
ONE-DIMENSIONAL AND TWO-DIMENSIONAL LEADERSHIP STYLES
Directory of Open Access Journals (Sweden)
Nikola Stefanović
2007-06-01
Full Text Available In order to motivate their group members to perform certain tasks, leaders use different leadership styles. These styles are based on leaders' backgrounds, knowledge, values, experiences, and expectations. The one-dimensional styles, used by many world leaders, are autocratic and democratic styles. These styles lie on the two opposite sides of the leadership spectrum. In order to precisely define the leadership styles on the spectrum between the autocratic leadership style and the democratic leadership style, leadership theory researchers use two dimensional matrices. The two-dimensional matrices define leadership styles on the basis of different parameters. By using these parameters, one can identify two-dimensional styles.
Optimizing separations in online comprehensive two-dimensional liquid chromatography.
Pirok, Bob W J; Gargano, Andrea F G; Schoenmakers, Peter J
2018-01-01
Online comprehensive two-dimensional liquid chromatography has become an attractive option for the analysis of complex nonvolatile samples found in various fields (e.g. environmental studies, food, life, and polymer sciences). Two-dimensional liquid chromatography complements the highly popular hyphenated systems that combine liquid chromatography with mass spectrometry. Two-dimensional liquid chromatography is also applied to the analysis of samples that are not compatible with mass spectrometry (e.g. high-molecular-weight polymers), providing important information on the distribution of the sample components along chemical dimensions (molecular weight, charge, lipophilicity, stereochemistry, etc.). Also, in comparison with conventional one-dimensional liquid chromatography, two-dimensional liquid chromatography provides a greater separation power (peak capacity). Because of the additional selectivity and higher peak capacity, the combination of two-dimensional liquid chromatography with mass spectrometry allows for simpler mixtures of compounds to be introduced in the ion source at any given time, improving quantitative analysis by reducing matrix effects. In this review, we summarize the rationale and principles of two-dimensional liquid chromatography experiments, describe advantages and disadvantages of combining different selectivities and discuss strategies to improve the quality of two-dimensional liquid chromatography separations. © 2017 The Authors. Journal of Separation Science published by WILEY-VCH Verlag GmbH & Co. KGaA.
Chang, G. S.; Lillo, M. A.
2009-08-01
The National Nuclear Security Administrations (NNSA) Reduced Enrichment for Research and Test Reactors (RERTR) program assigned to the Idaho National Laboratory (INL) the responsibility of developing and demonstrating high uranium density research reactor fuel forms to enable the use of low enriched uranium (LEU) in research and test reactors around the world. A series of full-size fuel plate experiments have been proposed for irradiation testing in the center flux trap (CFT) position of the Advanced Test Reactor (ATR). These full-size fuel plate tests are designated as the AFIP tests. The AFIP nominal fuel zone is rectangular in shape having a designed length of 21.5-in (54.61-cm), width of 1.6-in (4.064-cm), and uniform thickness of 0.014-in (0.03556-cm). This gives a nominal fuel zone volume of 0.482 in3 (7.89 cm3) per fuel plate. The AFIP test assembly has two test positions. Each test position is designed to hold 2 full-size plates, for a total of 4 full-size plates per test assembly. The AFIP test plates will be irradiated at a peak surface heat flux of about 350 W/cm2 and discharged at a peak U-235 burn-up of about 70 at.%. Based on limited irradiation testing of the monolithic (U-10Mo) fuel form, it is desirable to keep the peak fuel temperature below 250°C to achieve this, it will be necessary to keep plate heat fluxes below 500 W/cm2. Due to the heavy U-235 loading and a plate width of 1.6-in (4.064-cm), the neutron self-shielding will increase the local-to-average-ratio (L2AR) fission power near the sides of the fuel plates. To demonstrate that the AFIP experiment will meet the ATR safety requirements, a very detailed 2-dimensional (2D) Y-Z fission power profile was evaluated in order to best predict the fuel plate temperature distribution. The ability to accurately predict fuel plate power and burnup are essential to both the design of the AFIP tests as well as evaluation of the irradiated fuel performance. To support this need, a detailed MCNP Y
A Solid-State NMR Experiment: Analysis of Local Structural Environments in Phosphate Glasses
Anderson, Stanley E.; Saiki, David; Eckert, Hellmut; Meise-Gresch, Karin
2004-01-01
An experiment that can be used to directly study the local chemical environments of phosphorus in solid amorphous materials is demonstrated. The experiment aims at familiarizing the students of chemistry with the principles of solid-state NMR, by having them synthesize a simple phosphate glass, and making them observe the (super 31)P NMR spectrum,…
System of liquid thermostatic control for jet experiments on NMR
International Nuclear Information System (INIS)
Selivanov, S.I.; Bogatkin, R.A.; Ershov, B.A.
1983-01-01
The system of liquid thermostating of a sensor of NMR spectrometer, used as a registering device in the method of continuous and interrupting stream, is described. Such method of thermostating permits to make kinetic measurements in the temperature range from -40 to +60 deg C with the accuracy +-0.1 deg C and removes the necessity for applying secondary temperature NMR standards
Two-Dimensional Homogeneous Fermi Gases
Hueck, Klaus; Luick, Niclas; Sobirey, Lennart; Siegl, Jonas; Lompe, Thomas; Moritz, Henning
2018-02-01
We report on the experimental realization of homogeneous two-dimensional (2D) Fermi gases trapped in a box potential. In contrast to harmonically trapped gases, these homogeneous 2D systems are ideally suited to probe local as well as nonlocal properties of strongly interacting many-body systems. As a first benchmark experiment, we use a local probe to measure the density of a noninteracting 2D Fermi gas as a function of the chemical potential and find excellent agreement with the corresponding equation of state. We then perform matter wave focusing to extract the momentum distribution of the system and directly observe Pauli blocking in a near unity occupation of momentum states. Finally, we measure the momentum distribution of an interacting homogeneous 2D gas in the crossover between attractively interacting fermions and bosonic dimers.
(3,2)D GFT-NMR experiments for fast data collection from proteins
International Nuclear Information System (INIS)
Xia Youlin; Zhu Guang; Veeraraghavan, Sudha; Gao Xiaolian
2004-01-01
High throughput structure determination of proteins will contribute to the success of proteomics investigations. The G-Matrix Fourier Transformation NMR (GFT-NMR) method significantly shortens experimental time by reducing the number of the dimensions of data acquisition for isotopically labeled proteins (Kim, S. and Szyperski, T. (2003) J. Am. Chem. Soc.125, 1385). We demonstrate herein a suite of ten 3D → 2D or (3,2)D GFT-NMR experiments using 13 C/ 15 N-labeled ubiquitin. These experiments were completed within 18 hours, representing a 4- to 18-fold reduction in data acquisition time compared to the corresponding conventional 3D experiments. A subset of the GFT-NMR experiments, (3,2)D HNCO, HNCACB, HN(CO)CACB, and 2D 1 H- 15 N HSQC, which are necessary for backbone assignments, were carried out within 6 hours. To facilitate the analysis of the GFT-NMR spectra, we developed automated procedures for viewing and analyzing the GFT-NMR spectra. Our overall strategy allows (3,2)D GFT-NMR experiments to be readily performed and analyzed. Nevertheless, the increase in spectral overlap and the reduction in signal sensitivity in these fast NMR experiments presently limit their application to relatively small proteins
Titration of Alanine Monitored by NMR Spectroscopy: A Biochemistry Laboratory Experiment
Waller, Francis J.; And Others
1977-01-01
The experiment described here involves simultaneous monitoring of pH and NMR chemical shifts during an aqueous titration of alpha- and beta-alanine. This experiment is designed for use in an undergraduate biochemistry course. (MR)
NMR imaging of bladder tumors in males. Preliminary clinical experience
International Nuclear Information System (INIS)
Sigal, R.; Rein, A.J.J.T.; Atlan, H.; Lanir, A.; Kedar, S.; Segal, S.
1985-01-01
Nuclear magnetic resonance (NMR) of the normal and pathologic bladder was performed in 10 male subjects: 5 normal volunteers, 4 with bladder primary carcinoma, 1 with bladder metastasis. All scanning was done using a superconductive magnet operating at 0.5 T. Spin echo was used as pulse sequence. The diagnosis was confirmed in all cases by NMR imaging. The ability of the technique to provide images in axial, sagital and coronal planes allowed a precise assessment of the morphology and the size of the tumors. The lack of hazards and the quality of images may promote NMR imaging to a prominent role in the diagnosis of human bladder cancer [fr
Topology optimization of two-dimensional waveguides
DEFF Research Database (Denmark)
Jensen, Jakob Søndergaard; Sigmund, Ole
2003-01-01
In this work we use the method of topology optimization to design two-dimensional waveguides with low transmission loss.......In this work we use the method of topology optimization to design two-dimensional waveguides with low transmission loss....
A fragment separator at LBL for beta-NMR experiment
International Nuclear Information System (INIS)
Matsuta, K.; Ozawa, A.; Nojiri, Y.; Minamisono, T.; Fukuda, M.; Kitagawa, A.; Ohtsubo, T.; Momota, S.; Fukuda, S.; Matsuo, Y.; Takechi, H.; Minami, I.; Sugimoto, K.; Tanihata, I.; Omata, K.; Alonso, J.R.; Krebs, G.F.; Symons, T.J.M.
1992-03-01
The Beam 44 fragment separator was built at the Bevalac of LBL for NMR studies of beta emitting nuclei. 37 K, 39 Ca, and 43 Ti fragments originating from 40 Ca and 46 Ti primary beams were separated by the separator for NMR studies on these nuclei. Nuclear spin polarization was created in 39 Ca and 43 Ti using the tilted foil technique (TFT), and the magnetic moment of 43 Ti was deduced. Fragment polarization was measured for 37 K and 39 Ca emitted to finite deflection angles. The Beam 44 fragment separator in combination with a proper polarization technique, such as TFT or fragment polarization, has been very effective for such NMR studies
Radiation effects on two-dimensional materials
Energy Technology Data Exchange (ETDEWEB)
Walker, R.C. II; Robinson, J.A. [Department of Materials Science, Penn State, University Park, PA (United States); Center for Two-Dimensional Layered Materials, Penn State, University Park, PA (United States); Shi, T. [Department of Mechanical and Nuclear Engineering, Penn State, University Park, PA (United States); Department of Nuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor, MI (United States); Silva, E.C. [GlobalFoundries, Malta, NY (United States); Jovanovic, I. [Department of Nuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor, MI (United States)
2016-12-15
The effects of electromagnetic and particle irradiation on two-dimensional materials (2DMs) are discussed in this review. Radiation creates defects that impact the structure and electronic performance of materials. Determining the impact of these defects is important for developing 2DM-based devices for use in high-radiation environments, such as space or nuclear reactors. As such, most experimental studies have been focused on determining total ionizing dose damage to 2DMs and devices. Total dose experiments using X-rays, gamma rays, electrons, protons, and heavy ions are summarized in this review. We briefly discuss the possibility of investigating single event effects in 2DMs based on initial ion beam irradiation experiments and the development of 2DM-based integrated circuits. Additionally, beneficial uses of irradiation such as ion implantation to dope materials or electron-beam and helium-beam etching to shape materials have begun to be used on 2DMs and are reviewed as well. For non-ionizing radiation, such as low-energy photons, we review the literature on 2DM-based photo-detection from terahertz to UV. The majority of photo-detecting devices operate in the visible and UV range, and for this reason they are the focus of this review. However, we review the progress in developing 2DMs for detecting infrared and terahertz radiation. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)
Imidazole as a pH Probe: An NMR Experiment for the General Chemistry Laboratory
Hagan, William J., Jr.; Edie, Dennis L.; Cooley, Linda B.
2007-01-01
The analysis describes an NMR experiment for the general chemistry laboratory, which employs an unknown imidazole solution to measure the pH values. The described mechanism can also be used for measuring the acidity within the isolated cells.
Piezoelectricity in Two-Dimensional Materials
Wu, Tao; Zhang, Hua
2015-01-01
Powering up 2D materials: Recent experimental studies confirmed the existence of piezoelectricity - the conversion of mechanical stress into electricity - in two-dimensional single-layer MoS2 nanosheets. The results represent a milestone towards
Construction of two-dimensional quantum chromodynamics
Energy Technology Data Exchange (ETDEWEB)
Klimek, S.; Kondracki, W.
1987-12-01
We present a sketch of the construction of the functional measure for the SU(2) quantum chromodynamics with one generation of fermions in two-dimensional space-time. The method is based on a detailed analysis of Wilson loops.
Ye, Qimiao; Chen, Lin; Qiu, Wenqi; Lin, Liangjie; Sun, Huijun; Cai, Shuhui; Wei, Zhiliang; Chen, Zhong
2017-01-01
Nuclear magnetic resonance (NMR) spectroscopy serves as an important tool for both qualitative and quantitative analyses of various systems in chemistry, biology, and medicine. However, applications of one-dimensional 1H NMR are often restrained by the presence of severe overlap among different resonances. The advent of two-dimensional (2D) 1H NMR constitutes a promising alternative by extending the crowded resonances into a plane and thereby alleviating the spectral congestions. However, the enhanced ability in discriminating resonances is achieved at the cost of extended experimental duration due to necessity of various scans with progressive delays to construct the indirect dimension. Therefore, in this study, we propose a selective coherence transfer (SECOT) method to accelerate acquisitions of 2D correlation spectroscopy by converting chemical shifts into spatial positions within the effective sample length and then performing an echo planar spectroscopic imaging module to record the spatial and spectral information, which generates 2D correlation spectrum after 2D Fourier transformation. The feasibility and effectiveness of SECOT have been verified by a set of experiments under both homogeneous and inhomogeneous magnetic fields. Moreover, evaluations of SECOT for quantitative analyses are carried out on samples with a series of different concentrations. Based on these experimental results, the SECOT may open important perspectives for fast, accurate, and stable investigations of various chemical systems both qualitatively and quantitatively.
Seismic isolation of two dimensional periodic foundations
International Nuclear Information System (INIS)
Yan, Y.; Mo, Y. L.; Laskar, A.; Cheng, Z.; Shi, Z.; Menq, F.; Tang, Y.
2014-01-01
Phononic crystal is now used to control acoustic waves. When the crystal goes to a larger scale, it is called periodic structure. The band gaps of the periodic structure can be reduced to range from 0.5 Hz to 50 Hz. Therefore, the periodic structure has potential applications in seismic wave reflection. In civil engineering, the periodic structure can be served as the foundation of upper structure. This type of foundation consisting of periodic structure is called periodic foundation. When the frequency of seismic waves falls into the band gaps of the periodic foundation, the seismic wave can be blocked. Field experiments of a scaled two dimensional (2D) periodic foundation with an upper structure were conducted to verify the band gap effects. Test results showed the 2D periodic foundation can effectively reduce the response of the upper structure for excitations with frequencies within the frequency band gaps. When the experimental and the finite element analysis results are compared, they agree well with each other, indicating that 2D periodic foundation is a feasible way of reducing seismic vibrations.
Vectorized Matlab Codes for Linear Two-Dimensional Elasticity
Directory of Open Access Journals (Sweden)
Jonas Koko
2007-01-01
Full Text Available A vectorized Matlab implementation for the linear finite element is provided for the two-dimensional linear elasticity with mixed boundary conditions. Vectorization means that there is no loop over triangles. Numerical experiments show that our implementation is more efficient than the standard implementation with a loop over all triangles.
Antiferro multipolar ordering and it's identification by NMR experiment
International Nuclear Information System (INIS)
Sakai, Osamu; Shiina, Ryousuke; Kikuchi, Jun; Takigawa, Masashi
2008-01-01
The antiferro-ordering of multipolar moments often plays important roles in the low temperature phase transition of f-electron systems. The splitting of NMR spectra, which is analyzed in terms of the invariant hyperfine coupling between the nuclear spin and the multipolar moments of magnetic ions, gives important information about the multipolar ordering. Experimental and theoretical studies on CeB 6 and NpO 2 are presented as typical examples. The study on the low temperature phase of PrFe 4 P 12 , whose nature has been controversial, are reviewed. It was concluded that it has an antiferro order with the order-parameter characterized by the identity representation of the point group. The large anisotropy of NMR splitting in the magnetic field direction dependence suggests important roles of moments with higher ranks in PrFe 4 P 12 . (author)
NMR magnetic field controller for pulsed nuclear magnetic resonance experiments
International Nuclear Information System (INIS)
Scheler, G.; Anacker, M.
1975-01-01
A nuclear magnetic resonance controller for magnetic fields, which can also be used for pulsed NMR investigations, is described. A longtime stability of 10 -7 is achieved. The control signal is generated by a modified time sharing circuit with resonance at the first side band of the 2 H signal. An exact calibration of the magnetic field is achieved by the variation of the H 1 - or of the time-sharing frequency. (author)
NMR parallel Q-meter with double-balanced-mixer detection for polarized target experiments
International Nuclear Information System (INIS)
Boissevain, J.; Tippens, W.B.
1983-01-01
A constant-voltage, parallel-tuned nuclear magnetic resonance (NMR) circuit, patterned after a Liverpool design, has been developed for polarized target experiments. Measuring the admittance of the resonance circuit allows advantageous use of double-balanced mixer detection. The resonant circuit is tolerant of stray capacitance between the NMR coil and the target cavity, thus easing target-cell-design constraints. The reference leg of the circuit includes a voltage-controlled attenuator and phase shifter for ease of tuning. The NMR output features a flat background and has good linearity and stability
Citrus Quality Control: An NMR/MRI Problem-Based Experiment
Erhart, Sarah E.; McCarrick, Robert M.; Lorigan, Gary A.; Yezierski, Ellen J.
2016-01-01
An experiment seated in an industrial context can provide an engaging framework and unique learning opportunity for an upper-division physical chemistry laboratory. An experiment that teaches NMR/MRI through a problem-based quality control of citrus products was developed. In this experiment, using a problem-based learning (PBL) approach, students…
Two-dimensional x-ray diffraction
He, Bob B
2009-01-01
Written by one of the pioneers of 2D X-Ray Diffraction, this useful guide covers the fundamentals, experimental methods and applications of two-dimensional x-ray diffraction, including geometry convention, x-ray source and optics, two-dimensional detectors, diffraction data interpretation, and configurations for various applications, such as phase identification, texture, stress, microstructure analysis, crystallinity, thin film analysis and combinatorial screening. Experimental examples in materials research, pharmaceuticals, and forensics are also given. This presents a key resource to resea
Equivalence of two-dimensional gravities
International Nuclear Information System (INIS)
Mohammedi, N.
1990-01-01
The authors find the relationship between the Jackiw-Teitelboim model of two-dimensional gravity and the SL(2,R) induced gravity. These are shown to be related to a two-dimensional gauge theory obtained by dimensionally reducing the Chern-Simons action of the 2 + 1 dimensional gravity. The authors present an explicit solution to the equations of motion of the auxiliary field of the Jackiw-Teitelboim model in the light-cone gauge. A renormalization of the cosmological constant is also given
NMR experiments on ion permeation in irradiated model membranes
International Nuclear Information System (INIS)
Sprinz, H.; Winkler, E.; Schaefer, H.
1981-01-01
In aqueous solutions of egg-lecithin vesicles treated with ultrasonics the 1 H NMR parameters line width, area, and chemical shift of the signal of the (CH 3 ) 3 N + group were determined as a function of the gamma dose (0 ... 12 kGy). Using europium and the line shape analysis, it has been possible to calculate these parameters for the inside as well as for the outside lipid layer. Increasing 60 Co radiation dose leads to linear increases of the line widths, which are significantly more rapid for the outer than for the inner layer. From that it can be concluded that the outside lipid layer has been more damaged by irradiation. The asymmetry may be the consequence of a radiation effect induced by the radicals of water radiolysis. From the temporal changes of the NMR parameters information can be obtained about the radiation effect on transport processes in the vesicles. Beginning at a threshold (approx. 5 kGy) the permeation of Eu +++ ions to the (CH 3 ) 3 N + head groups, previously not accessible, increases significantly. (author)
NMR experiments on a three-dimensional vibrofluidized granular medium
Huan, Chao; Yang, Xiaoyu; Candela, D.; Mair, R. W.; Walsworth, R. L.
2004-04-01
A three-dimensional granular system fluidized by vertical container vibrations was studied using pulsed field gradient NMR coupled with one-dimensional magnetic resonance imaging. The system consisted of mustard seeds vibrated vertically at 50 Hz, and the number of layers Nl⩽4 was sufficiently low to achieve a nearly time-independent granular fluid. Using NMR, the vertical profiles of density and granular temperature were directly measured, along with the distributions of vertical and horizontal grain velocities. The velocity distributions showed modest deviations from Maxwell-Boltzmann statistics, except for the vertical velocity distribution near the sample bottom, which was highly skewed and non-Gaussian. Data taken for three values of Nl and two dimensionless accelerations Γ=15,18 were fitted to a hydrodynamic theory, which successfully models the density and temperature profiles away from the vibrating container bottom. A temperature inversion near the free upper surface is observed, in agreement with predictions based on the hydrodynamic parameter μ which is nonzero only in inelastic systems.
Analytical simulation of two dimensional advection dispersion ...
African Journals Online (AJOL)
The study was designed to investigate the analytical simulation of two dimensional advection dispersion equation of contaminant transport. The steady state flow condition of the contaminant transport where inorganic contaminants in aqueous waste solutions are disposed of at the land surface where it would migrate ...
Analytical Simulation of Two Dimensional Advection Dispersion ...
African Journals Online (AJOL)
ADOWIE PERE
ABSTRACT: The study was designed to investigate the analytical simulation of two dimensional advection dispersion equation of contaminant transport. The steady state flow condition of the contaminant transport where inorganic contaminants in aqueous waste solutions are disposed of at the land surface where it would ...
Sums of two-dimensional spectral triples
DEFF Research Database (Denmark)
Christensen, Erik; Ivan, Cristina
2007-01-01
construct a sum of two dimensional modules which reflects some aspects of the topological dimensions of the compact metric space, but this will only give the metric back approximately. At the end we make an explicit computation of the last module for the unit interval in. The metric is recovered exactly...
Stability of two-dimensional vorticity filaments
International Nuclear Information System (INIS)
Elhmaidi, D.; Provenzale, A.; Lili, T.; Babiano, A.
2004-01-01
We discuss the results of a numerical study on the stability of two-dimensional vorticity filaments around a circular vortex. We illustrate how the stability of the filaments depends on the balance between the strain associated with the far field of the vortex and the local vorticity of the filament, and we discuss an empirical criterion for filament stability
Two-Dimensional Motions of Rockets
Kang, Yoonhwan; Bae, Saebyok
2007-01-01
We analyse the two-dimensional motions of the rockets for various types of rocket thrusts, the air friction and the gravitation by using a suitable representation of the rocket equation and the numerical calculation. The slope shapes of the rocket trajectories are discussed for the three types of rocket engines. Unlike the projectile motions, the…
Two-dimensional microstrip detector for neutrons
Energy Technology Data Exchange (ETDEWEB)
Oed, A [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France)
1997-04-01
Because of their robust design, gas microstrip detectors, which were developed at ILL, can be assembled relatively quickly, provided the prefabricated components are available. At the beginning of 1996, orders were received for the construction of three two-dimensional neutron detectors. These detectors have been completed. The detectors are outlined below. (author). 2 refs.
Conformal invariance and two-dimensional physics
International Nuclear Information System (INIS)
Zuber, J.B.
1993-01-01
Actually, physicists and mathematicians are very interested in conformal invariance: geometric transformations which keep angles. This symmetry is very important for two-dimensional systems as phase transitions, string theory or node mathematics. In this article, the author presents the conformal invariance and explains its usefulness
Matching Two-dimensional Gel Electrophoresis' Spots
DEFF Research Database (Denmark)
Dos Anjos, António; AL-Tam, Faroq; Shahbazkia, Hamid Reza
2012-01-01
This paper describes an approach for matching Two-Dimensional Electrophoresis (2-DE) gels' spots, involving the use of image registration. The number of false positive matches produced by the proposed approach is small, when compared to academic and commercial state-of-the-art approaches. This ar...
Two-dimensional membranes in motion
Davidovikj, D.
2018-01-01
This thesis revolves around nanomechanical membranes made of suspended two - dimensional materials. Chapters 1-3 give an introduction to the field of 2D-based nanomechanical devices together with an overview of the underlying physics and the measurementtools used in subsequent chapters. The research
Extended Polymorphism of Two-Dimensional Material
Yoshida, Masaro; Ye, Jianting; Zhang, Yijin; Imai, Yasuhiko; Kimura, Shigeru; Fujiwara, Akihiko; Nishizaki, Terukazu; Kobayashi, Norio; Nakano, Masaki; Iwasa, Yoshihiro
When controlling electronic properties of bulk materials, we usually assume that the basic crystal structure is fixed. However, in two-dimensional (2D) materials, atomic structure or to functionalize their properties. Various polymorphs can exist in transition metal dichalcogenides (TMDCs) from
Piezoelectricity in Two-Dimensional Materials
Wu, Tao
2015-02-25
Powering up 2D materials: Recent experimental studies confirmed the existence of piezoelectricity - the conversion of mechanical stress into electricity - in two-dimensional single-layer MoS2 nanosheets. The results represent a milestone towards embedding low-dimensional materials into future disruptive technologies. © 2015 Wiley-VCH Verlag GmbH & Co. KGaA.
Abell, Timothy N.; McCarrick, Robert M.; Bretz, Stacey Lowery; Tierney, David L.
2017-01-01
A structured inquiry experiment for inorganic synthesis has been developed to introduce undergraduate students to advanced spectroscopic techniques including paramagnetic nuclear magnetic resonance and electron paramagnetic resonance. Students synthesize multiple complexes with unknown first row transition metals and identify the unknown metals by…
International Nuclear Information System (INIS)
Stachurowa, M.; Jasinski, A.
1981-01-01
An assembler program of NMR pulse experiments data acquisition digital signal filtering and Fast Fourier Transform (FFT) for the Mera-400 minicomputer interfaced to the pulsed NMR spectrometer is described. A phase correction subroutine of the program allows the phase correction to be made after the experiment. The program is run under the SOM-3 operating system. The program occupies 2.25 k 16 bit words of the computer memory, 3 k words are reserved for data. FFT computation time is 2.5 sec. for 1 k data points. (Author)
Two-dimensional vibrational-electronic spectroscopy
Courtney, Trevor L.; Fox, Zachary W.; Slenkamp, Karla M.; Khalil, Munira
2015-10-01
Two-dimensional vibrational-electronic (2D VE) spectroscopy is a femtosecond Fourier transform (FT) third-order nonlinear technique that creates a link between existing 2D FT spectroscopies in the vibrational and electronic regions of the spectrum. 2D VE spectroscopy enables a direct measurement of infrared (IR) and electronic dipole moment cross terms by utilizing mid-IR pump and optical probe fields that are resonant with vibrational and electronic transitions, respectively, in a sample of interest. We detail this newly developed 2D VE spectroscopy experiment and outline the information contained in a 2D VE spectrum. We then use this technique and its single-pump counterpart (1D VE) to probe the vibrational-electronic couplings between high frequency cyanide stretching vibrations (νCN) and either a ligand-to-metal charge transfer transition ([FeIII(CN)6]3- dissolved in formamide) or a metal-to-metal charge transfer (MMCT) transition ([(CN)5FeIICNRuIII(NH3)5]- dissolved in formamide). The 2D VE spectra of both molecules reveal peaks resulting from coupled high- and low-frequency vibrational modes to the charge transfer transition. The time-evolving amplitudes and positions of the peaks in the 2D VE spectra report on coherent and incoherent vibrational energy transfer dynamics among the coupled vibrational modes and the charge transfer transition. The selectivity of 2D VE spectroscopy to vibronic processes is evidenced from the selective coupling of specific νCN modes to the MMCT transition in the mixed valence complex. The lineshapes in 2D VE spectra report on the correlation of the frequency fluctuations between the coupled vibrational and electronic frequencies in the mixed valence complex which has a time scale of 1 ps. The details and results of this study confirm the versatility of 2D VE spectroscopy and its applicability to probe how vibrations modulate charge and energy transfer in a wide range of complex molecular, material, and biological systems.
Two-dimensional vibrational-electronic spectroscopy
Energy Technology Data Exchange (ETDEWEB)
Courtney, Trevor L.; Fox, Zachary W.; Slenkamp, Karla M.; Khalil, Munira, E-mail: mkhalil@uw.edu [Department of Chemistry, University of Washington, Box 351700, Seattle, Washington 98195 (United States)
2015-10-21
Two-dimensional vibrational-electronic (2D VE) spectroscopy is a femtosecond Fourier transform (FT) third-order nonlinear technique that creates a link between existing 2D FT spectroscopies in the vibrational and electronic regions of the spectrum. 2D VE spectroscopy enables a direct measurement of infrared (IR) and electronic dipole moment cross terms by utilizing mid-IR pump and optical probe fields that are resonant with vibrational and electronic transitions, respectively, in a sample of interest. We detail this newly developed 2D VE spectroscopy experiment and outline the information contained in a 2D VE spectrum. We then use this technique and its single-pump counterpart (1D VE) to probe the vibrational-electronic couplings between high frequency cyanide stretching vibrations (ν{sub CN}) and either a ligand-to-metal charge transfer transition ([Fe{sup III}(CN){sub 6}]{sup 3−} dissolved in formamide) or a metal-to-metal charge transfer (MMCT) transition ([(CN){sub 5}Fe{sup II}CNRu{sup III}(NH{sub 3}){sub 5}]{sup −} dissolved in formamide). The 2D VE spectra of both molecules reveal peaks resulting from coupled high- and low-frequency vibrational modes to the charge transfer transition. The time-evolving amplitudes and positions of the peaks in the 2D VE spectra report on coherent and incoherent vibrational energy transfer dynamics among the coupled vibrational modes and the charge transfer transition. The selectivity of 2D VE spectroscopy to vibronic processes is evidenced from the selective coupling of specific ν{sub CN} modes to the MMCT transition in the mixed valence complex. The lineshapes in 2D VE spectra report on the correlation of the frequency fluctuations between the coupled vibrational and electronic frequencies in the mixed valence complex which has a time scale of 1 ps. The details and results of this study confirm the versatility of 2D VE spectroscopy and its applicability to probe how vibrations modulate charge and energy transfer in a
Two-dimensional confinement of heavy fermions
International Nuclear Information System (INIS)
Shishido, Hiroaki; Shibauchi, Takasada; Matsuda, Yuji; Terashima, Takahito
2010-01-01
Metallic systems with the strongest electron correlations are realized in certain rare-earth and actinide compounds whose physics are dominated by f-electrons. These materials are known as heavy fermions, so called because the effective mass of the conduction electrons is enhanced via correlation effects up to as much as several hundreds times the free electron mass. To date the electronic structure of all heavy-fermion compounds is essentially three-dimensional. Here we report on the first realization of a two-dimensional heavy-fermion system, where the dimensionality is adjusted in a controllable fashion by fabricating heterostructures using molecular beam epitaxy. The two-dimensional heavy fermion system displays striking deviations from the standard Fermi liquid low-temperature electronic properties. (author)
Two-dimensional sensitivity calculation code: SENSETWO
International Nuclear Information System (INIS)
Yamauchi, Michinori; Nakayama, Mitsuo; Minami, Kazuyoshi; Seki, Yasushi; Iida, Hiromasa.
1979-05-01
A SENSETWO code for the calculation of cross section sensitivities with a two-dimensional model has been developed, on the basis of first order perturbation theory. It uses forward neutron and/or gamma-ray fluxes and adjoint fluxes obtained by two-dimensional discrete ordinates code TWOTRAN-II. The data and informations of cross sections, geometry, nuclide density, response functions, etc. are transmitted to SENSETWO by the dump magnetic tape made in TWOTRAN calculations. The required input for SENSETWO calculations is thus very simple. The SENSETWO yields as printed output the cross section sensitivities for each coarse mesh zone and for each energy group, as well as the plotted output of sensitivity profiles specified by the input. A special feature of the code is that it also calculates the reaction rate with the response function used as the adjoint source in TWOTRAN adjoint calculation and the calculated forward flux from the TWOTRAN forward calculation. (author)
Two-dimensional ranking of Wikipedia articles
Zhirov, A. O.; Zhirov, O. V.; Shepelyansky, D. L.
2010-10-01
The Library of Babel, described by Jorge Luis Borges, stores an enormous amount of information. The Library exists ab aeterno. Wikipedia, a free online encyclopaedia, becomes a modern analogue of such a Library. Information retrieval and ranking of Wikipedia articles become the challenge of modern society. While PageRank highlights very well known nodes with many ingoing links, CheiRank highlights very communicative nodes with many outgoing links. In this way the ranking becomes two-dimensional. Using CheiRank and PageRank we analyze the properties of two-dimensional ranking of all Wikipedia English articles and show that it gives their reliable classification with rich and nontrivial features. Detailed studies are done for countries, universities, personalities, physicists, chess players, Dow-Jones companies and other categories.
Toward two-dimensional search engines
International Nuclear Information System (INIS)
Ermann, L; Shepelyansky, D L; Chepelianskii, A D
2012-01-01
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 which paves the way for the development of two-dimensional search engines of a new type. Statistical properties of information flow on the PageRank–CheiRank plane are analyzed for networks of British, French and Italian universities, Wikipedia, Linux Kernel, gene regulation and other networks. A special emphasis is done for British universities networks using the large database publicly available in the UK. Methods of spam links control are also analyzed. (paper)
Acoustic phonon emission by two dimensional plasmons
International Nuclear Information System (INIS)
Mishonov, T.M.
1990-06-01
Acoustic wave emission of the two dimensional plasmons in a semiconductor or superconductor microstructure is investigated by using the phenomenological deformation potential within the jellium model. The plasmons are excited by the external electromagnetic (e.m.) field. The power conversion coefficient of e.m. energy into acoustic wave energy is also estimated. It is shown, the coherent transformation has a sharp resonance at the plasmon frequency of the two dimensional electron gas (2DEG). The incoherent transformation of the e.m. energy is generated by ohmic dissipation of 2DEG. The method proposed for coherent phonon beam generation can be very effective for high mobility 2DEG and for thin superconducting layers if the plasmon frequency ω is smaller than the superconducting gap 2Δ. (author). 21 refs, 1 fig
Confined catalysis under two-dimensional materials
Li, Haobo; Xiao, Jianping; Fu, Qiang; Bao, Xinhe
2017-01-01
Small spaces in nanoreactors may have big implications in chemistry, because the chemical nature of molecules and reactions within the nanospaces can be changed significantly due to the nanoconfinement effect. Two-dimensional (2D) nanoreactor formed under 2D materials can provide a well-defined model system to explore the confined catalysis. We demonstrate a general tendency for weakened surface adsorption under the confinement of graphene overlayer, illustrating the feasible modulation of su...
Two-Dimensional Extreme Learning Machine
Directory of Open Access Journals (Sweden)
Bo Jia
2015-01-01
(BP networks. However, like many other methods, ELM is originally proposed to handle vector pattern while nonvector patterns in real applications need to be explored, such as image data. We propose the two-dimensional extreme learning machine (2DELM based on the very natural idea to deal with matrix data directly. Unlike original ELM which handles vectors, 2DELM take the matrices as input features without vectorization. Empirical studies on several real image datasets show the efficiency and effectiveness of the algorithm.
Superintegrability on the two dimensional hyperboloid
International Nuclear Information System (INIS)
Akopyan, E.; Pogosyan, G.S.; Kalnins, E.G.; Miller, W. Jr
1998-01-01
This work is devoted to the investigation of the quantum mechanical systems on the two dimensional hyperboloid which admit separation of variables in at least two coordinate systems. Here we consider two potentials introduced in a paper of C.P.Boyer, E.G.Kalnins and P.Winternitz, which haven't been studied yet. An example of an interbasis expansion is given and the structure of the quadratic algebra generated by the integrals of motion is carried out
Two-dimensional Kagome photonic bandgap waveguide
DEFF Research Database (Denmark)
Nielsen, Jens Bo; Søndergaard, Thomas; Libori, Stig E. Barkou
2000-01-01
The transverse-magnetic photonic-bandgap-guidance properties are investigated for a planar two-dimensional (2-D) Kagome waveguide configuration using a full-vectorial plane-wave-expansion method. Single-moded well-localized low-index guided modes are found. The localization of the optical modes...... is investigated with respect to the width of the 2-D Kagome waveguide, and the number of modes existing for specific frequencies and waveguide widths is mapped out....
The Convergence Acceleration of Two-Dimensional Fourier Interpolation
Directory of Open Access Journals (Sweden)
Anry Nersessian
2008-07-01
Full Text Available Hereby, the convergence acceleration of two-dimensional trigonometric interpolation for a smooth functions on a uniform mesh is considered. Together with theoretical estimates some numerical results are presented and discussed that reveal the potential of this method for application in image processing. Experiments show that suggested algorithm allows acceleration of conventional Fourier interpolation even for sparse meshes that can lead to an efficient image compression/decompression algorithms and also to applications in image zooming procedures.
Acoustic transparency in two-dimensional sonic crystals
Energy Technology Data Exchange (ETDEWEB)
Sanchez-Dehesa, Jose; Torrent, Daniel [Wave Phenomena Group, Department of Electronic Engineering, Polytechnic University of Valencia, C/ Camino de Vera s/n, E-46022 Valencia (Spain); Cai Liangwu [Department of Mechanical and Nuclear Engineering, Kansas State University, Manhattan, KS 66506 (United States)], E-mail: jsdehesa@upvnet.upv.es
2009-01-15
Acoustic transparency is studied in two-dimensional sonic crystals consisting of hexagonal distributions of cylinders with continuously varying properties. The transparency condition is achieved by selectively closing the acoustic bandgaps, which are governed by the structure factor of the cylindrical scatterers. It is shown here that cylindrical scatterers with the proposed continuously varying properties are physically realizable by using metafluids based on sonic crystals. The feasibility of this proposal is analyzed by a numerical experiment based on multiple scattering theory.
Analysis of two dimensional signals via curvelet transform
Lech, W.; Wójcik, W.; Kotyra, A.; Popiel, P.; Duk, M.
2007-04-01
This paper describes an application of curvelet transform analysis problem of interferometric images. Comparing to two-dimensional wavelet transform, curvelet transform has higher time-frequency resolution. This article includes numerical experiments, which were executed on random interferometric image. In the result of nonlinear approximations, curvelet transform obtains matrix with smaller number of coefficients than is guaranteed by wavelet transform. Additionally, denoising simulations show that curvelet could be a very good tool to remove noise from images.
Mechanical exfoliation of two-dimensional materials
Gao, Enlai; Lin, Shao-Zhen; Qin, Zhao; Buehler, Markus J.; Feng, Xi-Qiao; Xu, Zhiping
2018-06-01
Two-dimensional materials such as graphene and transition metal dichalcogenides have been identified and drawn much attention over the last few years for their unique structural and electronic properties. However, their rise begins only after these materials are successfully isolated from their layered assemblies or adhesive substrates into individual monolayers. Mechanical exfoliation and transfer are the most successful techniques to obtain high-quality single- or few-layer nanocrystals from their native multi-layer structures or their substrate for growth, which involves interfacial peeling and intralayer tearing processes that are controlled by material properties, geometry and the kinetics of exfoliation. This procedure is rationalized in this work through theoretical analysis and atomistic simulations. We propose a criterion to assess the feasibility for the exfoliation of two-dimensional sheets from an adhesive substrate without fracturing itself, and explore the effects of material and interface properties, as well as the geometrical, kinetic factors on the peeling behaviors and the torn morphology. This multi-scale approach elucidates the microscopic mechanism of the mechanical processes, offering predictive models and tools for the design of experimental procedures to obtain single- or few-layer two-dimensional materials and structures.
Simultaneous acquisition for T2 -T2 Exchange and T1 -T2 correlation NMR experiments
Montrazi, Elton T.; Lucas-Oliveira, Everton; Araujo-Ferreira, Arthur G.; Barsi-Andreeta, Mariane; Bonagamba, Tito J.
2018-04-01
The NMR measurements of longitudinal and transverse relaxation times and its multidimensional correlations provide useful information about molecular dynamics. However, these experiments are very time-consuming, and many researchers proposed faster experiments to reduce this issue. This paper presents a new way to simultaneously perform T2 -T2 Exchange and T1 -T2 correlation experiments by taking the advantage of the storage time and the two steps phase cycling used for running the relaxation exchange experiment. The data corresponding to each step is either summed or subtracted to produce the T2 -T2 and T1 -T2 data, enhancing the information obtained while maintaining the experiment duration. Comparing the results from this technique with traditional NMR experiments it was possible to validate the method.
Two-dimensional study of shock breakout at the rear face of laser irradiated metallic targets
Energy Technology Data Exchange (ETDEWEB)
Cottet, F.; Marty, L.; Hallouin, M.; Romain, J.P.; Virmont, J.; Fabbro, R.; Faral, B.
1988-11-01
The two-dimensional propagation dynamics of laser-driven shock waves in solids is studied through the analysis of the shock breakout at the rear face of the target for a set of materials and laser intensities. The laser shock simulations were carried out by means of a two-dimensional hydrodynamics code in which the laser-ablation pressure is replaced by an equivalent pressure pulse. It is shown that the two-dimensional code is a very useful tool to analyze laser-shock experiments where two-dimensional effects arise from a finite laser-spot size or a heterogeneous energy deposition.
Two-dimensional study of shock breakout at the rear face of laser irradiated metallic targets
International Nuclear Information System (INIS)
Cottet, F.; Marty, L.; Hallouin, M.; Romain, J.P.; Virmont, J.; Fabbro, R.; Faral, B.
1988-01-01
The two-dimensional propagation dynamics of laser-driven shock waves in solids is studied through the analysis of the shock breakout at the rear face of the target for a set of materials and laser intensities. The laser shock simulations were carried out by means of a two-dimensional hydrodynamics code in which the laser-ablation pressure is replaced by an equivalent pressure pulse. It is shown that the two-dimensional code is a very useful tool to analyze laser-shock experiments where two-dimensional effects arise from a finite laser-spot size or a heterogeneous energy deposition
Tunable states of interlayer cations in two-dimensional materials
International Nuclear Information System (INIS)
Sato, K.; Numata, K.; Dai, W.; Hunger, M.
2014-01-01
The local state of cations inside the Ångstrom-scale interlayer spaces is one of the controlling factors for designing sophisticated two-dimensional (2D) materials consisting of 2D nanosheets. In the present work, the molecular mechanism on how the interlayer cation states are induced by the local structures of the 2D nanosheets is highlighted. For this purpose, the local states of Na cations in inorganic 2D materials, in which the compositional fluctuations of a few percent are introduced in the tetrahedral and octahedral units of the 2D nanosheets, were systematically studied by means of 23 Na magic-angle-spinning (MAS) nuclear magnetic resonance (NMR) and 23 Na multiple-quantum MAS (MQMAS) NMR spectroscopy. In contrast with an uniform distribution of Na cations expected so far, various well-defined cation states sensitive to the local structures of the 2D nanosheets were identified. The tunability of the interlayer cation states along with the local structure of the 2D nanosheets, as the smallest structural unit of the 2D material, is discussed
Tunable states of interlayer cations in two-dimensional materials
Energy Technology Data Exchange (ETDEWEB)
Sato, K.; Numata, K. [Department of Environmental Sciences, Tokyo Gakugei University, Koganei, Tokyo 184-8501 (Japan); Dai, W. [Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin 300071 (China); Hunger, M. [Institute of Chemical Technology, University of Stuttgart, 70550 Stuttgart (Germany)
2014-03-31
The local state of cations inside the Ångstrom-scale interlayer spaces is one of the controlling factors for designing sophisticated two-dimensional (2D) materials consisting of 2D nanosheets. In the present work, the molecular mechanism on how the interlayer cation states are induced by the local structures of the 2D nanosheets is highlighted. For this purpose, the local states of Na cations in inorganic 2D materials, in which the compositional fluctuations of a few percent are introduced in the tetrahedral and octahedral units of the 2D nanosheets, were systematically studied by means of {sup 23}Na magic-angle-spinning (MAS) nuclear magnetic resonance (NMR) and {sup 23}Na multiple-quantum MAS (MQMAS) NMR spectroscopy. In contrast with an uniform distribution of Na cations expected so far, various well-defined cation states sensitive to the local structures of the 2D nanosheets were identified. The tunability of the interlayer cation states along with the local structure of the 2D nanosheets, as the smallest structural unit of the 2D material, is discussed.
Direct 13C-detected NMR experiments for mapping and characterization of hydrogen bonds in RNA
International Nuclear Information System (INIS)
Fürtig, Boris; Schnieders, Robbin; Richter, Christian; Zetzsche, Heidi; Keyhani, Sara; Helmling, Christina; Kovacs, Helena; Schwalbe, Harald
2016-01-01
In RNA secondary structure determination, it is essential to determine whether a nucleotide is base-paired and not. Base-pairing of nucleotides is mediated by hydrogen bonds. The NMR characterization of hydrogen bonds relies on experiments correlating the NMR resonances of exchangeable protons and can be best performed for structured parts of the RNA, where labile hydrogen atoms are protected from solvent exchange. Functionally important regions in RNA, however, frequently reveal increased dynamic disorder which often leads to NMR signals of exchangeable protons that are broadened beyond 1 H detection. Here, we develop 13 C direct detected experiments to observe all nucleotides in RNA irrespective of whether they are involved in hydrogen bonds or not. Exploiting the self-decoupling of scalar couplings due to the exchange process, the hydrogen bonding behavior of the hydrogen bond donor of each individual nucleotide can be determined. Furthermore, the adaption of HNN-COSY experiments for 13 C direct detection allows correlations of donor–acceptor pairs and the localization of hydrogen-bond acceptor nucleotides. The proposed 13 C direct detected experiments therefore provide information about molecular sites not amenable by conventional proton-detected methods. Such information makes the RNA secondary structure determination by NMR more accurate and helps to validate secondary structure predictions based on bioinformatics.
Morton, Janine G.; Joe, Candice L.; Stolla, Massiel C.; Koshland, Sophia R.; Londergan, Casey H.; Schofield, Mark H.
2015-01-01
Variable temperature NMR spectroscopy is used to determine the ?H° and ?S° of hydrogen bond formation in a simple diamide. In this two- or three-day experiment, students synthesize N,N'-dimethylmalonamide, dimethylsuccinamide, dimethylglutaramide, or dimethyladipamide from methylamine and the corresponding diester (typically in 50% recrystallized…
Boron nitride as two dimensional dielectric: Reliability and dielectric breakdown
Energy Technology Data Exchange (ETDEWEB)
Ji, Yanfeng; Pan, Chengbin; Hui, Fei; Shi, Yuanyuan; Lanza, Mario, E-mail: mlanza@suda.edu.cn [Institute of Functional Nano and Soft Materials, Collaborative Innovation Center of Suzhou Nano Science and Technology, Soochow University, 199 Ren-Ai Road, Suzhou 215123 (China); Zhang, Meiyun; Long, Shibing [Key Laboratory of Microelectronics Devices & Integrated Technology, Institute of Microelectronics, Chinese Academy of Sciences, Beijing 100029 (China); Lian, Xiaojuan; Miao, Feng [National Laboratory of Solid State Microstructures, School of Physics, Collaborative Innovation Center of Advanced Microstructures, Nanjing University, Nanjing 210093 (China); Larcher, Luca [DISMI, Università di Modena e Reggio Emilia, 42122 Reggio Emilia (Italy); Wu, Ernest [IBM Research Division, Essex Junction, Vermont 05452 (United States)
2016-01-04
Boron Nitride (BN) is a two dimensional insulator with excellent chemical, thermal, mechanical, and optical properties, which make it especially attractive for logic device applications. Nevertheless, its insulating properties and reliability as a dielectric material have never been analyzed in-depth. Here, we present the first thorough characterization of BN as dielectric film using nanoscale and device level experiments complementing with theoretical study. Our results reveal that BN is extremely stable against voltage stress, and it does not show the reliability problems related to conventional dielectrics like HfO{sub 2}, such as charge trapping and detrapping, stress induced leakage current, and untimely dielectric breakdown. Moreover, we observe a unique layer-by-layer dielectric breakdown, both at the nanoscale and device level. These findings may be of interest for many materials scientists and could open a new pathway towards two dimensional logic device applications.
Directional detection of dark matter with two-dimensional targets
Hochberg, Yonit; Kahn, Yonatan; Lisanti, Mariangela; Tully, Christopher G.; Zurek, Kathryn M.
2017-09-01
We propose two-dimensional materials as targets for direct detection of dark matter. Using graphene as an example, we focus on the case where dark matter scattering deposits sufficient energy on a valence-band electron to eject it from the target. We show that the sensitivity of graphene to dark matter of MeV to GeV mass can be comparable, for similar exposure and background levels, to that of semiconductor targets such as silicon and germanium. Moreover, a two-dimensional target is an excellent directional detector, as the ejected electron retains information about the angular dependence of the incident dark matter particle. This proposal can be implemented by the PTOLEMY experiment, presenting for the first time an opportunity for directional detection of sub-GeV dark matter.
Vector (two-dimensional) magnetic phenomena
International Nuclear Information System (INIS)
Enokizono, Masato
2002-01-01
In this paper, some interesting phenomena were described from the viewpoint of two-dimensional magnetic property, which is reworded with the vector magnetic property. It shows imperfection of conventional magnetic property and some interested phenomena were discovered, too. We found magnetic materials had the strong nonlinearity both magnitude and spatial phase due to the relationship between the magnetic field strength H-vector and the magnetic flux density B-vector. Therefore, magnetic properties should be defined as the vector relationship. Furthermore, the new Barukhausen signal was observed under rotating flux. (Author)
Optimized two-dimensional Sn transport (BISTRO)
International Nuclear Information System (INIS)
Palmiotti, G.; Salvatores, M.; Gho, C.
1990-01-01
This paper reports on an S n two-dimensional transport module developed for the French fast reactor code system CCRR to optimize algorithms in order to obtain the best performance in terms of computational time. A form of diffusion synthetic acceleration was adopted, and a special effort was made to solve the associated diffusion equation efficiently. The improvements in the algorithms, along with the use of an efficient programming language, led to a significant gain in computational time with respect to the DOT code
Binding energy of two-dimensional biexcitons
DEFF Research Database (Denmark)
Singh, Jai; Birkedal, Dan; Vadim, Lyssenko
1996-01-01
Using a model structure for a two-dimensional (2D) biexciton confined in a quantum well, it is shown that the form of the Hamiltonian of the 2D biexciton reduces into that of an exciton. The binding energies and Bohr radii of a 2D biexciton in its various internal energy states are derived...... analytically using the fractional dimension approach. The ratio of the binding energy of a 2D biexciton to that of a 2D exciton is found to be 0.228, which agrees very well with the recent experimental value. The results of our approach are compared with those of earlier theories....
Airy beams on two dimensional materials
Imran, Muhammad; Li, Rujiang; Jiang, Yuyu; Lin, Xiao; Zheng, Bin; Dehdashti, Shahram; Xu, Zhiwei; Wang, Huaping
2018-05-01
We propose that quasi-transverse-magnetic (quasi-TM) Airy beams can be supported on two dimensional (2D) materials. By taking graphene as a typical example, the solution of quasi-TM Airy beams is studied under the paraxial approximation. The analytical field intensity in a bilayer graphene-based planar plasmonic waveguide is confirmed by the simulation results. Due to the tunability of the chemical potential of graphene, the self-accelerating behavior of the quasi-TM Airy beam can be steered effectively. 2D materials thus provide a good platform to investigate the propagation of Airy beams.
Two-dimensional heat flow apparatus
McDougall, Patrick; Ayars, Eric
2014-06-01
We have created an apparatus to quantitatively measure two-dimensional heat flow in a metal plate using a grid of temperature sensors read by a microcontroller. Real-time temperature data are collected from the microcontroller by a computer for comparison with a computational model of the heat equation. The microcontroller-based sensor array allows previously unavailable levels of precision at very low cost, and the combination of measurement and modeling makes for an excellent apparatus for the advanced undergraduate laboratory course.
Investigation of zeolites by solid state quadrapole NMR
International Nuclear Information System (INIS)
Janssen, R.
1990-01-01
The subject of this thesis is the NMR investigation of zeolites. The nature and properties of zeolites are discussed. Some of the basic priniples of NMR techniques on quadrupole nuclei are presented. A special technique, namely a two-dimensional nutation experiment is discussed in detail. The theory of the nutation experiment for quadrupole spin species with spin quantum number 3/2 as well as 5/2 is presented. For both spin spcies the theoretical spectra are compared with experimental results. It is also shown that the nutation expeirment can be performed with several pulse schemes. It is shown how phase-sensitive pure-absorption nutation spectra can be obtained and an NMR-probe is presented that is capable of performing NMR experiments at high (up to 500 degree C) temperatures. The two-dimensional nutation NMR technique has been applied to sodium cations in zeolite NaA. For this purpose a numbre of zeolite samples were prepared that contained different amounts of water. With the aid of nutation NMR the hydration of the zeolite can be studied and conclusions can be drawn about the symmetry of the surrounding of the sodium cations. With the aid of an extension of the nutation NMR experiment: Rotary Echo Nutation NMR, it is shown that in zeolite NaA, in various stages of hydration, the sodium cations or water molecules are mobile. Proof is given by means of high-temperature 23 Na-NMR that dehydrates zeolite NaA undergoes a phase transition at ca. 120 degree C. In a high-temperature NMR investigation of zeolite ZSM-5 it is shown that the sodium ions start to execute motions when the temperature is increased. (author). 198 refs.; 72 figs.; 6 tabs
International Nuclear Information System (INIS)
Ying Jinfa; Chill, Jordan H.; Louis, John M.; Bax, Ad
2007-01-01
A new strategy is demonstrated that simultaneously enhances sensitivity and resolution in three- or higher-dimensional heteronuclear multiple quantum NMR experiments. The approach, referred to as mixed-time parallel evolution (MT-PARE), utilizes evolution of chemical shifts of the spins participating in the multiple quantum coherence in parallel, thereby reducing signal losses relative to sequential evolution. The signal in a given PARE dimension, t 1 , is of a non-decaying constant-time nature for a duration that depends on the length of t 2 , and vice versa, prior to the onset of conventional exponential decay. Line shape simulations for the 1 H- 15 N PARE indicate that this strategy significantly enhances both sensitivity and resolution in the indirect 1 H dimension, and that the unusual signal decay profile results in acceptable line shapes. Incorporation of the MT-PARE approach into a 3D HMQC-NOESY experiment for measurement of H N -H N NOEs in KcsA in SDS micelles at 50 o C was found to increase the experimental sensitivity by a factor of 1.7±0.3 with a concomitant resolution increase in the indirectly detected 1 H dimension. The method is also demonstrated for a situation in which homonuclear 13 C- 13 C decoupling is required while measuring weak H3'-2'OH NOEs in an RNA oligomer
Decoherence in two-dimensional quantum walks
International Nuclear Information System (INIS)
Oliveira, A. C.; Portugal, R.; Donangelo, R.
2006-01-01
We analyze the decoherence in quantum walks in two-dimensional lattices generated by broken-link-type noise. In this type of decoherence, the links of the lattice are randomly broken with some given constant probability. We obtain the evolution equation for a quantum walker moving on two-dimensional (2D) lattices subject to this noise, and we point out how to generalize for lattices in more dimensions. In the nonsymmetric case, when the probability of breaking links in one direction is different from the probability in the perpendicular direction, we have obtained a nontrivial result. If one fixes the link-breaking probability in one direction, and gradually increases the probability in the other direction from 0 to 1, the decoherence initially increases until it reaches a maximum value, and then it decreases. This means that, in some cases, one can increase the noise level and still obtain more coherence. Physically, this can be explained as a transition from a decoherent 2D walk to a coherent 1D walk
Study of two-dimensional interchange turbulence
International Nuclear Information System (INIS)
Sugama, Hideo; Wakatani, Masahiro.
1990-04-01
An eddy viscosity model describing enstrophy transfer in two-dimensional turbulence is presented. This model is similar to that of Canuto et al. and provides an equation for the energy spectral function F(k) as a function of the energy input rate to the system per unit wavenumber, γ s (k). In the enstrophy-transfer inertial range, F(k)∝ k -3 is predicted by the model. The eddy viscosity model is applied to the interchange turbulence of a plasma in shearless magnetic field. Numerical simulation of the two-dimensional interchange turbulence demonstrates that the energy spectrum in the high wavenumber region is well described by this model. The turbulent transport driven by the interchange turbulence is expressed in terms of the Nusselt number Nu, the Rayleigh number Ra and Prantl number Pr in the same manner as that of thermal convection problem. When we use the linear growth rate for γ s (k), our theoretical model predicts that Nu ∝ (Ra·Pr) 1/2 for a constant background pressure gradient and Nu ∝ (Ra·Pr) 1/3 for a self-consistent background pressure profile with the stress-free slip boundary conditions. The latter agrees with our numerical result showing Nu ∝ Ra 1/3 . (author)
Two-Dimensional Theory of Scientific Representation
Directory of Open Access Journals (Sweden)
A Yaghmaie
2013-03-01
Full Text Available Scientific representation is an interesting topic for philosophers of science, many of whom have recently explored it from different points of view. There are currently two competing approaches to the issue: cognitive and non-cognitive, and each of them claims its own merits over the other. This article tries to provide a hybrid theory of scientific representation, called Two-Dimensional Theory of Scientific Representation, which has the merits of the two accounts and is free of their shortcomings. To do this, we will argue that although scientific representation needs to use the notion of intentionality, such a notion is defined and realized in a simply structural form contrary to what cognitive approach says about intentionality. After a short introduction, the second part of the paper is devoted to introducing theories of scientific representation briefly. In the third part, the structural accounts of representation will be criticized. The next step is to introduce the two-dimensional theory which involves two key components: fixing and structural fitness. It will be argued that fitness is an objective and non-intentional relation, while fixing is intentional.
Two-dimensional shielding benchmarks for iron at YAYOI, (1)
International Nuclear Information System (INIS)
Oka, Yoshiaki; An, Shigehiro; Kasai, Shigeru; Miyasaka, Shun-ichi; Koyama, Kinji.
The aim of this work is to assess the collapsed neutron and gamma multigroup cross sections for two dimensional discrete ordinate transport code. Two dimensional distributions of neutron flux and gamma ray dose through a 70cm thick and 94cm square iron shield were measured at the fast neutron source reactor ''YAYOI''. The iron shield was placed over the lead reflector in the vertical experimental column surrounded by heavy concrete wall. The detectors used in this experiment were threshold detectors In, Ni, Al, Mg, Fe and Zn, sandwitch resonance detectors Au, W and Co, activation foils Au for neutrons and thermoluminescence detectors for gamma ray dose. The experimental results were compared with the calculated ones by the discrete ordinate transport code ANISN and TWOTRAN. The region-wise, coupled neutron-gamma multigroup cross-sections (100n+20gamma, EURLIB structure) were generated from ENDF/B-IV library for neutrons and POPOP4 library for gamma-ray production cross-sections by using the code system RADHEAT. The effective microscopic neutron cross sections were obtained from the infinite dilution values applying ABBN type self-shielding factors. The gamma ray production multigroup cross-sections were calculated from these effective microscopic neutron cross-sections. For two-dimensional calculations the group constants were collapsed into 10 neutron groups and 3 gamma groups by using ANISN. (auth.)
Jézéquel, Tangi; Silvestre, Virginie; Dinis, Katy; Giraudeau, Patrick; Akoka, Serge
2018-04-01
Isotope ratio monitoring by 13C NMR spectrometry (irm-13C NMR) provides the complete 13C intramolecular position-specific composition at natural abundance. It represents a powerful tool to track the (bio)chemical pathway which has led to the synthesis of targeted molecules, since it allows Position-specific Isotope Analysis (PSIA). Due to the very small composition range (which represents the range of variation of the isotopic composition of a given nuclei) of 13C natural abundance values (50‰), irm-13C NMR requires a 1‰ accuracy and thus highly quantitative analysis by 13C NMR. Until now, the conventional strategy to determine the position-specific abundance xi relies on the combination of irm-MS (isotopic ratio monitoring Mass Spectrometry) and 13C quantitative NMR. However this approach presents a serious drawback since it relies on two different techniques and requires to measure separately the signal of all the carbons of the analyzed compound, which is not always possible. To circumvent this constraint, we recently proposed a new methodology to perform 13C isotopic analysis using an internal reference method and relying on NMR only. The method combines a highly quantitative 1H NMR pulse sequence (named DWET) with a 13C isotopic NMR measurement. However, the recently published DWET sequence is unsuited for samples with short T1, which forms a serious limitation for irm-13C NMR experiments where a relaxing agent is added. In this context, we suggest two variants of the DWET called Multi-WET and Profiled-WET, developed and optimized to reach the same accuracy of 1‰ with a better immunity towards T1 variations. Their performance is evaluated on the determination of the 13C isotopic profile of vanillin. Both pulse sequences show a 1‰ accuracy with an increased robustness to pulse miscalibrations compared to the initial DWET method. This constitutes a major advance in the context of irm-13C NMR since it is now possible to perform isotopic analysis with high
A magnetic gradient induced force in NMR restricted diffusion experiments
International Nuclear Information System (INIS)
Ghadirian, Bahman; Stait-Gardner, Tim; Castillo, Reynaldo; Price, William S.
2014-01-01
We predict that the phase cancellation of a precessing magnetisation field carried by a diffusing species in a bounded geometry under certain nuclear magnetic resonance pulsed magnetic field gradient sequences results in a small force over typically micrometre length scales. Our calculations reveal that the total magnetisation energy in a pore under the influence of a pulsed gradient will be distance-dependent thus resulting in a force acting on the boundary. It is shown that this effect of the magnetisation of diffusing particles will appear as either an attractive or repulsive force depending on the geometry of the pore and magnetic properties of the material. A detailed analysis is performed for the case of a pulsed gradient spin-echo experiment on parallel planes. It is shown that the force decays exponentially in terms of the spin-spin relaxation. The proof is based on classical electrodynamics. An application of this effect to soft matter is suggested
Two-dimensional simulation of sintering process
International Nuclear Information System (INIS)
Vasconcelos, Vanderley de; Pinto, Lucio Carlos Martins; Vasconcelos, Wander L.
1996-01-01
The results of two-dimensional simulations are directly applied to systems in which one of the dimensions is much smaller than the others, and to sections of three dimensional models. Moreover, these simulations are the first step of the analysis of more complex three-dimensional systems. In this work, two basic features of the sintering process are studied: the types of particle size distributions related to the powder production processes and the evolution of geometric parameters of the resultant microstructures during the solid-state sintering. Random packing of equal spheres is considered in the sintering simulation. The packing algorithm does not take into account the interactive forces between the particles. The used sintering algorithm causes the densification of the particle set. (author)
Two dimensional generalizations of the Newcomb equation
International Nuclear Information System (INIS)
Dewar, R.L.; Pletzer, A.
1989-11-01
The Bineau reduction to scalar form of the equation governing ideal, zero frequency linearized displacements from a hydromagnetic equilibrium possessing a continuous symmetry is performed in 'universal coordinates', applicable to both the toroidal and helical cases. The resulting generalized Newcomb equation (GNE) has in general a more complicated form than the corresponding one dimensional equation obtained by Newcomb in the case of circular cylindrical symmetry, but in this cylindrical case , the equation can be transformed to that of Newcomb. In the two dimensional case there is a transformation which leaves the form of the GNE invariant and simplifies the Frobenius expansion about a rational surface, especially in the limit of zero pressure gradient. The Frobenius expansions about a mode rational surface is developed and the connection with Hamiltonian transformation theory is shown. 17 refs
Pressure of two-dimensional Yukawa liquids
International Nuclear Information System (INIS)
Feng, Yan; Wang, Lei; Tian, Wen-de; Goree, J; Liu, Bin
2016-01-01
A simple analytic expression for the pressure of a two-dimensional Yukawa liquid is found by fitting results from a molecular dynamics simulation. The results verify that the pressure can be written as the sum of a potential term which is a simple multiple of the Coulomb potential energy at a distance of the Wigner–Seitz radius, and a kinetic term which is a multiple of the one for an ideal gas. Dimensionless coefficients for each of these terms are found empirically, by fitting. The resulting analytic expression, with its empirically determined coefficients, is plotted as isochores, or curves of constant area. These results should be applicable to monolayer dusty plasmas. (paper)
Two dimensional nanomaterials for flexible supercapacitors.
Peng, Xu; Peng, Lele; Wu, Changzheng; Xie, Yi
2014-05-21
Flexible supercapacitors, as one of most promising emerging energy storage devices, are of great interest owing to their high power density with great mechanical compliance, making them very suitable as power back-ups for future stretchable electronics. Two-dimensional (2D) nanomaterials, including the quasi-2D graphene and inorganic graphene-like materials (IGMs), have been greatly explored to providing huge potential for the development of flexible supercapacitors with higher electrochemical performance. This review article is devoted to recent progresses in engineering 2D nanomaterials for flexible supercapacitors, which survey the evolution of electrode materials, recent developments in 2D nanomaterials and their hybrid nanostructures with regulated electrical properties, and the new planar configurations of flexible supercapacitors. Furthermore, a brief discussion on future directions, challenges and opportunities in this fascinating area is also provided.
Geometrical aspects of solvable two dimensional models
International Nuclear Information System (INIS)
Tanaka, K.
1989-01-01
It was noted that there is a connection between the non-linear two-dimensional (2D) models and the scalar curvature r, i.e., when r = -2 the equations of motion of the Liouville and sine-Gordon models were obtained. Further, solutions of various classical nonlinear 2D models can be obtained from the condition that the appropriate curvature two form Ω = 0, which suggests that these models are closely related. This relation is explored further in the classical version by obtaining the equations of motion from the evolution equations, the infinite number of conserved quantities, and the common central charge. The Poisson brackets of the solvable 2D models are specified by the Virasoro algebra. 21 refs
Two-dimensional materials for ultrafast lasers
International Nuclear Information System (INIS)
Wang Fengqiu
2017-01-01
As the fundamental optical properties and novel photophysics of graphene and related two-dimensional (2D) crystals are being extensively investigated and revealed, a range of potential applications in optical and optoelectronic devices have been proposed and demonstrated. Of the many possibilities, the use of 2D materials as broadband, cost-effective and versatile ultrafast optical switches (or saturable absorbers) for short-pulsed lasers constitutes a rapidly developing field with not only a good number of publications, but also a promising prospect for commercial exploitation. This review primarily focuses on the recent development of pulsed lasers based on several representative 2D materials. The comparative advantages of these materials are discussed, and challenges to practical exploitation, which represent good future directions of research, are laid out. (paper)
Two-dimensional phase fraction charts
International Nuclear Information System (INIS)
Morral, J.E.
1984-01-01
A phase fraction chart is a graphical representation of the amount of each phase present in a system as a function of temperature, composition or other variable. Examples are phase fraction versus temperature charts used to characterize specific alloys and as a teaching tool in elementary texts, and Schaeffler diagrams used to predict the amount of ferrite in stainless steel welds. Isothermal-transformation diagrams (TTT diagrams) are examples that give phase (or microconstituent) amount versus temperature and time. The purpose of this communication is to discuss the properties of two-dimensional phase fraction charts in more general terms than have been reported before. It is shown that they can represent multi-component, multiphase equilibria in a way which is easier to read and which contains more information than the isotherms and isopleths of multi-component phase diagrams
Two-dimensional motions of rockets
International Nuclear Information System (INIS)
Kang, Yoonhwan; Bae, Saebyok
2007-01-01
We analyse the two-dimensional motions of the rockets for various types of rocket thrusts, the air friction and the gravitation by using a suitable representation of the rocket equation and the numerical calculation. The slope shapes of the rocket trajectories are discussed for the three types of rocket engines. Unlike the projectile motions, the descending parts of the trajectories tend to be gentler and straighter slopes than the ascending parts for relatively large launching angles due to the non-vanishing thrusts. We discuss the ranges, the maximum altitudes and the engine performances of the rockets. It seems that the exponential fuel exhaustion can be the most potent engine for the longest and highest flights
Two-dimensional electroacoustic waves in silicene
Zhukov, Alexander V.; Bouffanais, Roland; Konobeeva, Natalia N.; Belonenko, Mikhail B.
2018-01-01
In this letter, we investigate the propagation of two-dimensional electromagnetic waves in a piezoelectric medium built upon silicene. Ultrashort optical pulses of Gaussian form are considered to probe this medium. On the basis of Maxwell's equations supplemented with the wave equation for the medium's displacement vector, we obtain the effective governing equation for the vector potential associated with the electromagnetic field, as well as the component of the displacement vector. The dependence of the pulse shape on the bandgap in silicene and the piezoelectric coefficient of the medium was analyzed, thereby revealing a nontrivial triadic interplay between the characteristics of the pulse dynamics, the electronic properties of silicene, and the electrically induced mechanical vibrations of the medium. In particular, we uncovered the possibility for an amplification of the pulse amplitude through the tuning of the piezoelectric coefficient. This property could potentially offer promising prospects for the development of amplification devices for the optoelectronics industry.
Versatile two-dimensional transition metal dichalcogenides
DEFF Research Database (Denmark)
Canulescu, Stela; Affannoukoué, Kévin; Döbeli, Max
), a strategy for the fabrication of 2D heterostructures must be developed. Here we demonstrate a novel approach for the bottom-up synthesis of TMDC monolayers, namely Pulsed Laser Deposition (PLD) combined with a sulfur evaporation beam. PLD relies on the use of a pulsed laser (ns pulse duration) to induce...... material transfer from a solid source (such as a sintered target of MoS2) to a substrate (such as Si or sapphire). The deposition rate in PLD is typically much less than a monolayer per pulse, meaning that the number of MLs can be controlled by a careful selection of the number of laser pulses......Two-dimensional transition metal dichalcogenides (2D-TMDCs), such as MoS2, have emerged as a new class of semiconducting materials with distinct optical and electrical properties. The availability of 2D-TMDCs with distinct band gaps allows for unlimited combinations of TMDC monolayers (MLs...
Two-dimensional heterostructures for energy storage
Energy Technology Data Exchange (ETDEWEB)
Gogotsi, Yury G. [Drexel Univ., Philadelphia, PA (United States); Pomerantseva, Ekaterina [Drexel Univ., Philadelphia, PA (United States)
2017-06-12
Two-dimensional (2D) materials provide slit-shaped ion diffusion channels that enable fast movement of lithium and other ions. However, electronic conductivity, the number of intercalation sites, and stability during extended cycling are also crucial for building high-performance energy storage devices. While individual 2D materials, such as graphene, show some of the required properties, none of them can offer all properties needed to maximize energy density, power density, and cycle life. Here we argue that stacking different 2D materials into heterostructured architectures opens an opportunity to construct electrodes that would combine the advantages of the individual building blocks while eliminating the associated shortcomings. We discuss characteristics of common 2D materials and provide examples of 2D heterostructured electrodes that showed new phenomena leading to superior electrochemical performance. As a result, we also consider electrode fabrication approaches and finally outline future steps to create 2D heterostructured electrodes that could greatly expand current energy storage technologies.
Two-dimensional fourier transform spectrometer
DeFlores, Lauren; Tokmakoff, Andrei
2013-09-03
The present invention relates to a system and methods for acquiring two-dimensional Fourier transform (2D FT) spectra. Overlap of a collinear pulse pair and probe induce a molecular response which is collected by spectral dispersion of the signal modulated probe beam. Simultaneous collection of the molecular response, pulse timing and characteristics permit real time phasing and rapid acquisition of spectra. Full spectra are acquired as a function of pulse pair timings and numerically transformed to achieve the full frequency-frequency spectrum. This method demonstrates the ability to acquire information on molecular dynamics, couplings and structure in a simple apparatus. Multi-dimensional methods can be used for diagnostic and analytical measurements in the biological, biomedical, and chemical fields.
Equivalency of two-dimensional algebras
International Nuclear Information System (INIS)
Santos, Gildemar Carneiro dos; Pomponet Filho, Balbino Jose S.
2011-01-01
Full text: Let us consider a vector z = xi + yj over the field of real numbers, whose basis (i,j) satisfy a given algebra. Any property of this algebra will be reflected in any function of z, so we can state that the knowledge of the properties of an algebra leads to more general conclusions than the knowledge of the properties of a function. However structural properties of an algebra do not change when this algebra suffers a linear transformation, though the structural constants defining this algebra do change. We say that two algebras are equivalent to each other whenever they are related by a linear transformation. In this case, we have found that some relations between the structural constants are sufficient to recognize whether or not an algebra is equivalent to another. In spite that the basis transform linearly, the structural constants change like a third order tensor, but some combinations of these tensors result in a linear transformation, allowing to write the entries of the transformation matrix as function of the structural constants. Eventually, a systematic way to find the transformation matrix between these equivalent algebras is obtained. In this sense, we have performed the thorough classification of associative commutative two-dimensional algebras, and find that even non-division algebra may be helpful in solving non-linear dynamic systems. The Mandelbrot set was used to have a pictorial view of each algebra, since equivalent algebras result in the same pattern. Presently we have succeeded in classifying some non-associative two-dimensional algebras, a task more difficult than for associative one. (author)
Horst, Reto; Wüthrich, Kurt
2015-07-20
Reconstitution of integral membrane proteins (IMP) in aqueous solutions of detergent micelles has been extensively used in structural biology, using either X-ray crystallography or NMR in solution. Further progress could be achieved by establishing a rational basis for the selection of detergent and buffer conditions, since the stringent bottleneck that slows down the structural biology of IMPs is the preparation of diffracting crystals or concentrated solutions of stable isotope labeled IMPs. Here, we describe procedures to monitor the quality of aqueous solutions of [ 2 H, 15 N]-labeled IMPs reconstituted in detergent micelles. This approach has been developed for studies of β-barrel IMPs, where it was successfully applied for numerous NMR structure determinations, and it has also been adapted for use with α-helical IMPs, in particular GPCRs, in guiding crystallization trials and optimizing samples for NMR studies (Horst et al ., 2013). 2D [ 15 N, 1 H]-correlation maps are used as "fingerprints" to assess the foldedness of the IMP in solution. For promising samples, these "inexpensive" data are then supplemented with measurements of the translational and rotational diffusion coefficients, which give information on the shape and size of the IMP/detergent mixed micelles. Using microcoil equipment for these NMR experiments enables data collection with only micrograms of protein and detergent. This makes serial screens of variable solution conditions viable, enabling the optimization of parameters such as the detergent concentration, sample temperature, pH and the composition of the buffer.
Filtering techniques for efficient inversion of two-dimensional Nuclear Magnetic Resonance data
Bortolotti, V.; Brizi, L.; Fantazzini, P.; Landi, G.; Zama, F.
2017-10-01
The inversion of two-dimensional Nuclear Magnetic Resonance (NMR) data requires the solution of a first kind Fredholm integral equation with a two-dimensional tensor product kernel and lower bound constraints. For the solution of this ill-posed inverse problem, the recently presented 2DUPEN algorithm [V. Bortolotti et al., Inverse Problems, 33(1), 2016] uses multiparameter Tikhonov regularization with automatic choice of the regularization parameters. In this work, I2DUPEN, an improved version of 2DUPEN that implements Mean Windowing and Singular Value Decomposition filters, is deeply tested. The reconstruction problem with filtered data is formulated as a compressed weighted least squares problem with multi-parameter Tikhonov regularization. Results on synthetic and real 2D NMR data are presented with the main purpose to deeper analyze the separate and combined effects of these filtering techniques on the reconstructed 2D distribution.
NMR study of 1,4-dihydropyridine derivatives endowed with long alkyl and functionalized chains
Energy Technology Data Exchange (ETDEWEB)
Suarez, Margarita; Salfran, Esperanza; Rodriguez, Hortensia; Coro, Julieta, E-mail: msuarez@fq.uh.c [Universidad de La Habana (Cuba). Facultad de Quimica. Lab. de Sintesis Organica; Molero, Dolores; Saez, Elena [Universidad Complutense, Madrid (Spain). CAI-RMN; Martinez-Alvarez, Roberto; Martin, Nazario [Universidad Complutense, Madrid (Spain). Facultad de Quimica. Dept. de Quimica Organica I
2011-07-01
The {sup 1}H , {sup 13}C and {sup 15}N NMR spectroscopic data for 1,4-dihydropyridine endowed with long alkyl and functionalized chain on C-3 and C-5, have been fully assigned by combination of one- and two dimensional experiments (DEPT, HMBC, HMQC, COSY, nOe). (author)
Decay of homogeneous two-dimensional quantum turbulence
Baggaley, Andrew W.; Barenghi, Carlo F.
2018-03-01
We numerically simulate the free decay of two-dimensional quantum turbulence in a large, homogeneous Bose-Einstein condensate. The large number of vortices, the uniformity of the density profile, and the absence of boundaries (where vortices can drift out of the condensate) isolate the annihilation of vortex-antivortex pairs as the only mechanism which reduces the number of vortices, Nv, during the turbulence decay. The results clearly reveal that vortex annihilation is a four-vortex process, confirming the decay law Nv˜t-1 /3 where t is time, which was inferred from experiments with relatively few vortices in small harmonically trapped condensates.
Repulsion of polarized particles from two-dimensional materials
Rodríguez-Fortuño, Francisco J.; Picardi, Michela F.; Zayats, Anatoly V.
2018-05-01
Repulsion of nanoparticles, molecules, and atoms from surfaces can have important applications in nanomechanical devices, microfluidics, optical manipulation, and atom optics. Here, through the solution of a classical scattering problem, we show that a dipole source oscillating at a frequency ω can experience a robust and strong repulsive force when its near-field interacts with a two-dimensional material. As an example, the case of graphene is considered, showing that a broad bandwidth of repulsion can be obtained at frequencies for which propagation of plasmon modes is allowed 0 chemical potential tunable electrically or by chemical doping.
Magnus force in discrete and continuous two-dimensional superfluids
International Nuclear Information System (INIS)
Gecse, Z.; Khlebnikov, S.
2005-01-01
Motion of vortices in two-dimensional superfluids in the classical limit is studied by solving the Gross-Pitaevskii equation numerically on a uniform lattice. We find that, in the presence of a superflow directed along one of the main lattice periods, vortices move with the superflow on fine lattices but perpendicular to it on coarse ones. We interpret this result as a transition from the full Magnus force in a Galilean-invariant limit to vanishing effective Magnus force in a discrete system, in agreement with the existing experiments on vortex motion in Josephson junction arrays
Network patterns in exponentially growing two-dimensional biofilms
Zachreson, Cameron; Yap, Xinhui; Gloag, Erin S.; Shimoni, Raz; Whitchurch, Cynthia B.; Toth, Milos
2017-10-01
Anisotropic collective patterns occur frequently in the morphogenesis of two-dimensional biofilms. These patterns are often attributed to growth regulation mechanisms and differentiation based on gradients of diffusing nutrients and signaling molecules. Here, we employ a model of bacterial growth dynamics to show that even in the absence of growth regulation or differentiation, confinement by an enclosing medium such as agar can itself lead to stable pattern formation over time scales that are employed in experiments. The underlying mechanism relies on path formation through physical deformation of the enclosing environment.
Two-dimensional simulations of magnetically-driven instabilities
International Nuclear Information System (INIS)
Peterson, D.; Bowers, R.; Greene, A.E.; Brownell, J.
1986-01-01
A two-dimensional Eulerian MHD code is used to study the evolution of magnetically-driven instabilities in cylindrical geometry. The code incorporates an equation of state, resistivity, and radiative cooling model appropriate for an aluminum plasma. The simulations explore the effects of initial perturbations, electrical resistivity, and radiative cooling on the growth and saturation of the instabilities. Comparisons are made between the 2-D simulations, previous 1-D simulations, and results from the Pioneer experiments of the Los Alamos foil implosion program
Interface enabling the management of the magnetic gradients for a N.M.R. experiment
International Nuclear Information System (INIS)
Frutoso, J.; Mallet, J.J.; Bonmartin, A.; Minchella, P.
1983-01-01
The object of this work was to realize a versatile electronic system which is able to manage the three magnetic gradients necessary to a NMR experiment. The cheapest mean used is based on a microcomputer VIC 20 Commodore, connected through an interface to three ''pilotage'' power-supplies. In this paper the interface between the VIC 20 and the three power-supplies, is particularly described [fr
Two dimensional kinetic analysis of electrostatic harmonic plasma waves
Energy Technology Data Exchange (ETDEWEB)
Fonseca-Pongutá, E. C.; Ziebell, L. F.; Gaelzer, R. [Instituto de Física, UFRGS, 91501-970 Porto Alegre, RS (Brazil); Yoon, P. H. [IPST, University of Maryland, College Park, Maryland 20742 (United States); SSR, Kyung Hee University, Yongin, Gyeonggi 446-701 (Korea, Republic of)
2016-06-15
Electrostatic harmonic Langmuir waves are virtual modes excited in weakly turbulent plasmas, first observed in early laboratory beam-plasma experiments as well as in rocket-borne active experiments in space. However, their unequivocal presence was confirmed through computer simulated experiments and subsequently theoretically explained. The peculiarity of harmonic Langmuir waves is that while their existence requires nonlinear response, their excitation mechanism and subsequent early time evolution are governed by essentially linear process. One of the unresolved theoretical issues regards the role of nonlinear wave-particle interaction process over longer evolution time period. Another outstanding issue is that existing theories for these modes are limited to one-dimensional space. The present paper carries out two dimensional theoretical analysis of fundamental and (first) harmonic Langmuir waves for the first time. The result shows that harmonic Langmuir wave is essentially governed by (quasi)linear process and that nonlinear wave-particle interaction plays no significant role in the time evolution of the wave spectrum. The numerical solutions of the two-dimensional wave spectra for fundamental and harmonic Langmuir waves are also found to be consistent with those obtained by direct particle-in-cell simulation method reported in the literature.
Electronic Transport in Two-Dimensional Materials
Sangwan, Vinod K.; Hersam, Mark C.
2018-04-01
Two-dimensional (2D) materials have captured the attention of the scientific community due to the wide range of unique properties at nanometer-scale thicknesses. While significant exploratory research in 2D materials has been achieved, the understanding of 2D electronic transport and carrier dynamics remains in a nascent stage. Furthermore, because prior review articles have provided general overviews of 2D materials or specifically focused on charge transport in graphene, here we instead highlight charge transport mechanisms in post-graphene 2D materials, with particular emphasis on transition metal dichalcogenides and black phosphorus. For these systems, we delineate the intricacies of electronic transport, including band structure control with thickness and external fields, valley polarization, scattering mechanisms, electrical contacts, and doping. In addition, electronic interactions between 2D materials are considered in the form of van der Waals heterojunctions and composite films. This review concludes with a perspective on the most promising future directions in this fast-evolving field.
Stress distribution in two-dimensional silos
Blanco-Rodríguez, Rodolfo; Pérez-Ángel, Gabriel
2018-01-01
Simulations of a polydispersed two-dimensional silo were performed using molecular dynamics, with different numbers of grains reaching up to 64 000, verifying numerically the model derived by Janssen and also the main assumption that the walls carry part of the weight due to the static friction between grains with themselves and those with the silo's walls. We vary the friction coefficient, the radii dispersity, the silo width, and the size of grains. We find that the Janssen's model becomes less relevant as the the silo width increases since the behavior of the stresses becomes more hydrostatic. Likewise, we get the normal and tangential stress distribution on the walls evidencing the existence of points of maximum stress. We also obtained the stress matrix with which we observe zones of concentration of load, located always at a height around two thirds of the granular columns. Finally, we observe that the size of the grains affects the distribution of stresses, increasing the weight on the bottom and reducing the normal stress on the walls, as the grains are made smaller (for the same total mass of the granulate), giving again a more hydrostatic and therefore less Janssen-type behavior for the weight of the column.
Asymptotics for Two-dimensional Atoms
DEFF Research Database (Denmark)
Nam, Phan Thanh; Portmann, Fabian; Solovej, Jan Philip
2012-01-01
We prove that the ground state energy of an atom confined to two dimensions with an infinitely heavy nucleus of charge $Z>0$ and $N$ quantum electrons of charge -1 is $E(N,Z)=-{1/2}Z^2\\ln Z+(E^{\\TF}(\\lambda)+{1/2}c^{\\rm H})Z^2+o(Z^2)$ when $Z\\to \\infty$ and $N/Z\\to \\lambda$, where $E^{\\TF}(\\lambd......We prove that the ground state energy of an atom confined to two dimensions with an infinitely heavy nucleus of charge $Z>0$ and $N$ quantum electrons of charge -1 is $E(N,Z)=-{1/2}Z^2\\ln Z+(E^{\\TF}(\\lambda)+{1/2}c^{\\rm H})Z^2+o(Z^2)$ when $Z\\to \\infty$ and $N/Z\\to \\lambda$, where $E......^{\\TF}(\\lambda)$ is given by a Thomas-Fermi type variational problem and $c^{\\rm H}\\approx -2.2339$ is an explicit constant. We also show that the radius of a two-dimensional neutral atom is unbounded when $Z\\to \\infty$, which is contrary to the expected behavior of three-dimensional atoms....
Two-dimensional transport of tokamak plasmas
International Nuclear Information System (INIS)
Hirshman, S.P.; Jardin, S.C.
1979-01-01
A reduced set of two-fluid transport equations is obtained from the conservation equations describing the time evolution of the differential particle number, entropy, and magnetic fluxes in an axisymmetric toroidal plasma with nested magnetic surfaces. Expanding in the small ratio of perpendicular to parallel mobilities and thermal conductivities yields as solubility constraints one-dimensional equations for the surface-averaged thermodynamic variables and magnetic fluxes. Since Ohm's law E +u x B =R', where R' accounts for any nonideal effects, only determines the particle flow relative to the diffusing magnetic surfaces, it is necessary to solve a single two-dimensional generalized differential equation, (partial/partialt) delpsi. (delp - J x B) =0, to find the absolute velocity of a magnetic surface enclosing a fixed toroidal flux. This equation is linear but nonstandard in that it involves flux surface averages of the unknown velocity. Specification of R' and the cross-field ion and electron heat fluxes provides a closed system of equations. A time-dependent coordinate transformation is used to describe the diffusion of plasma quantities through magnetic surfaces of changing shape
Two-dimensional topological photonic systems
Sun, Xiao-Chen; He, Cheng; Liu, Xiao-Ping; Lu, Ming-Hui; Zhu, Shi-Ning; Chen, Yan-Feng
2017-09-01
The topological phase of matter, originally proposed and first demonstrated in fermionic electronic systems, has drawn considerable research attention in the past decades due to its robust transport of edge states and its potential with respect to future quantum information, communication, and computation. Recently, searching for such a unique material phase in bosonic systems has become a hot research topic worldwide. So far, many bosonic topological models and methods for realizing them have been discovered in photonic systems, acoustic systems, mechanical systems, etc. These discoveries have certainly yielded vast opportunities in designing material phases and related properties in the topological domain. In this review, we first focus on some of the representative photonic topological models and employ the underlying Dirac model to analyze the edge states and geometric phase. On the basis of these models, three common types of two-dimensional topological photonic systems are discussed: 1) photonic quantum Hall effect with broken time-reversal symmetry; 2) photonic topological insulator and the associated pseudo-time-reversal symmetry-protected mechanism; 3) time/space periodically modulated photonic Floquet topological insulator. Finally, we provide a summary and extension of this emerging field, including a brief introduction to the Weyl point in three-dimensional systems.
Turbulent equipartitions in two dimensional drift convection
International Nuclear Information System (INIS)
Isichenko, M.B.; Yankov, V.V.
1995-01-01
Unlike the thermodynamic equipartition of energy in conservative systems, turbulent equipartitions (TEP) describe strongly non-equilibrium systems such as turbulent plasmas. In turbulent systems, energy is no longer a good invariant, but one can utilize the conservation of other quantities, such as adiabatic invariants, frozen-in magnetic flux, entropy, or combination thereof, in order to derive new, turbulent quasi-equilibria. These TEP equilibria assume various forms, but in general they sustain spatially inhomogeneous distributions of the usual thermodynamic quantities such as density or temperature. This mechanism explains the effects of particle and energy pinch in tokamaks. The analysis of the relaxed states caused by turbulent mixing is based on the existence of Lagrangian invariants (quantities constant along fluid-particle or other orbits). A turbulent equipartition corresponds to the spatially uniform distribution of relevant Lagrangian invariants. The existence of such turbulent equilibria is demonstrated in the simple model of two dimensional electrostatically turbulent plasma in an inhomogeneous magnetic field. The turbulence is prescribed, and the turbulent transport is assumed to be much stronger than the classical collisional transport. The simplicity of the model makes it possible to derive the equations describing the relaxation to the TEP state in several limits
Buckled two-dimensional Xene sheets.
Molle, Alessandro; Goldberger, Joshua; Houssa, Michel; Xu, Yong; Zhang, Shou-Cheng; Akinwande, Deji
2017-02-01
Silicene, germanene and stanene are part of a monoelemental class of two-dimensional (2D) crystals termed 2D-Xenes (X = Si, Ge, Sn and so on) which, together with their ligand-functionalized derivatives referred to as Xanes, are comprised of group IVA atoms arranged in a honeycomb lattice - similar to graphene but with varying degrees of buckling. Their electronic structure ranges from trivial insulators, to semiconductors with tunable gaps, to semi-metallic, depending on the substrate, chemical functionalization and strain. More than a dozen different topological insulator states are predicted to emerge, including the quantum spin Hall state at room temperature, which, if realized, would enable new classes of nanoelectronic and spintronic devices, such as the topological field-effect transistor. The electronic structure can be tuned, for example, by changing the group IVA element, the degree of spin-orbit coupling, the functionalization chemistry or the substrate, making the 2D-Xene systems promising multifunctional 2D materials for nanotechnology. This Perspective highlights the current state of the art and future opportunities in the manipulation and stability of these materials, their functions and applications, and novel device concepts.
International Nuclear Information System (INIS)
Khatib, Alfi; Wilson, Erica G.; Kim, Hye Kyong; Lefeber, Alfons W.M.; Erkelens, Cornelis; Choi, Young Hae; Verpoorte, Robert
2006-01-01
A number of ingredients in beer that directly or indirectly affect its quality require an unbiased wide-spectrum analytical method that allows for the determination of a wide array of compounds for its efficient control. 1 H nuclear magnetic resonance (NMR) spectroscopy is a method that clearly meets this description as the broad range of compounds in beer is detectable. However, the resulting congestion of signals added to the low resolution of 1 H NMR spectra makes the identification of individual components very difficult. Among two-dimensional (2D) NMR techniques that increase the resolution, J-resolved NMR spectra were successfully applied to the analysis of 2-butanol extracts of beer as overlapping signals in 1 H NMR spectra were fully resolved by the additional axis of the coupling constant. Principal component analysis based on the projected J-resolved NMR spectra showed a clear separation between all of the six brands of pilsner beer evaluated in this study. The compounds responsible for the differentiation were identified by 2D NMR spectra including correlated spectroscopy and heteronuclear multiple bond correlation spectra together with J-resolved spectra. They were identified as nucleic acid derivatives (adenine, uridine and xanthine), amino acids (tyrosine and proline), organic acid (succinic and lactic acid), alcohol (tyrosol and isopropanol), cholines and carbohydrates
Theoretical investigations of quantum correlations in NMR multiple-pulse spin-locking experiments
Gerasev, S. A.; Fedorova, A. V.; Fel'dman, E. B.; Kuznetsova, E. I.
2018-04-01
Quantum correlations are investigated theoretically in a two-spin system with the dipole-dipole interactions in the NMR multiple-pulse spin-locking experiments. We consider two schemes of the multiple-pulse spin-locking. The first scheme consists of π /2-pulses only and the delays between the pulses can differ. The second scheme contains φ-pulses (0Quantum discord is obtained for the first scheme of the multiple-pulse spin-locking experiment at different temperatures.
Zhang, Meng-Xia; Li, Jing; Shen, Guo-Ping; Zou, Xiong; Xu, Jun-Jie; Jiang, Rou; You, Rui; Hua, Yi-Jun; Sun, Ying; Ma, Jun; Hong, Ming-Huang; Chen, Ming-Yuan
2015-11-01
To evaluate the survival benefit of intensity-modulated radiotherapy (IMRT) compared with conventional two-dimensional radiotherapy (2D-CRT) in nasopharyngeal carcinoma (NPC) using a large cohort with long follow-up. We retrospectively analysed 7081 non-metastatic NPC patients who received curative IMRT or 2D-CRT from February 2002 to December 2011. Of the 7081 patients, 2245 (31.7%) were administered IMRT, while 4836 (68.3%) were administered 2D-CRT. At 5 years, the patients administered IMRT had significantly higher local relapse-free survival (LRFS), loco-regional relapse-free survival (LRRFS), progression-free survival (PFS) and overall survival (OS) (95.6%, 92.5%, 82.1% and 87.4%, respectively) than those administered 2D-CRT (90.8%, 88.5%, 76.7% and 84.5%, respectively; p<0.001). The distant metastasis-free survival (DMFS) was higher for IMRT than 2D-CRT, with borderline significance (87.6% and 85.7%, respectively; p=0.056). However, no difference was observed between IMRT and 2D-CRT in nodal relapse-free survival (NRFS; 96.3% and 97.4%, respectively; p=0.217). Multivariate analyses showed that IMRT was an independent protective prognostic factor for LRFS, LRRFS and PFS, but not NRFS, DMFS or OS. IMRT provided an improved LRFS, LRRFS and PFS in both the early and advanced T classifications and overall stage for non-disseminated NPC compared with 2D-CRT. However, no significant advantage was observed in NRFS, DMFS or OS when IMRT was used. Copyright © 2015 Elsevier Ltd. All rights reserved.
Awadalla, Hany; Saleh, Mohamed Ayman; Abdel Kader, Mohamed; Mansour, Amr
2017-08-01
Left ventricular (LV) torsion is a novel method to assess systolic LV function. This study aimed at exploring the utility of 2D speckle tracking-based assessment of left ventricular torsion in patients with acute myocardial infarction (AMI) undertaking primary percutaneous intervention (pPCI) in predicting left ventricular remodeling. The study included 115 patients (mean±SD, age 52.2±9.67, males 84.3%) who underwent pPCI for AMI. Echocardiographic assessment of LV torsion by two-dimensional speckle tracking was performed early after the index pPCI. Patients underwent repeat echocardiography at 6 months to detect remodeling. LV torsion in the acute setting was significantly lower in those who demonstrated LV remodeling at follow-up compared to those without remodeling (7.56±1.95 vs 15.16±4.65; P<.005). Multivariate analysis identified peak CK & CK-MB elevation (β=-0.767 and -0.725; P<.001), SWMA index (β=-0.843; P<.001), and Simpson's derived LV ejection fraction (LVEF; β=0.802; P<.001) as independent predictors of baseline LV torsion. It also identified peak LV torsion (β: 0.27; 95% CI: 0.15-0.5, P=.001) and SWMA index (β: 1.07, 95% CI: 1.03-1.12, P=.005) as independent predictors of LV remodeling. Baseline Killip's grades II and higher (β: 48.6; 95% CI 5.5-428, P<.001) and diabetes mellitus (β: 29.7; 95% CI 1.1-763, P<.05) were independent predictors of mortality. Left ventricular torsion in acute MI setting is impaired and predicts subsequent LV remodeling at 6-month follow-up. © 2017, Wiley Periodicals, Inc.
Favre, B; Bonche, J P; Meheir, H; Peyrin, J O
1990-02-01
For many years, a number of laboratories have been working on the applications of very low field NMR. In 1985, our laboratory presented the first NMR images using the earth's magnetic field. However, the use of this technique was limited by the weakness of the signal and the disturbing effects of the environment on the signal-to-noise ratio and on the homogeneity of the static magnetic field. Therefore experiments has to be performed in places with low environmental disturbances, such as open country or large parks. In 1986, we installed a new station in Lyon, in the town's hostile environment. Good NMR signals can now be obtained (with a signal-to-noise ratio better than 200 and a time constant T2 better than 3s for 200-mnl water samples and at a temperature of about 40 degrees C). We report the terrace roof of our faculty building. Gradient coils were used to correct the local inhomogeneities of the earth's magnetic field. We show FIDs and MR images of water-filled tubes made with or without these improvements.
Conceptual-level workflow modeling of scientific experiments using NMR as a case study
Directory of Open Access Journals (Sweden)
Gryk Michael R
2007-01-01
Full Text Available Abstract Background Scientific workflows improve the process of scientific experiments by making computations explicit, underscoring data flow, and emphasizing the participation of humans in the process when intuition and human reasoning are required. Workflows for experiments also highlight transitions among experimental phases, allowing intermediate results to be verified and supporting the proper handling of semantic mismatches and different file formats among the various tools used in the scientific process. Thus, scientific workflows are important for the modeling and subsequent capture of bioinformatics-related data. While much research has been conducted on the implementation of scientific workflows, the initial process of actually designing and generating the workflow at the conceptual level has received little consideration. Results We propose a structured process to capture scientific workflows at the conceptual level that allows workflows to be documented efficiently, results in concise models of the workflow and more-correct workflow implementations, and provides insight into the scientific process itself. The approach uses three modeling techniques to model the structural, data flow, and control flow aspects of the workflow. The domain of biomolecular structure determination using Nuclear Magnetic Resonance spectroscopy is used to demonstrate the process. Specifically, we show the application of the approach to capture the workflow for the process of conducting biomolecular analysis using Nuclear Magnetic Resonance (NMR spectroscopy. Conclusion Using the approach, we were able to accurately document, in a short amount of time, numerous steps in the process of conducting an experiment using NMR spectroscopy. The resulting models are correct and precise, as outside validation of the models identified only minor omissions in the models. In addition, the models provide an accurate visual description of the control flow for conducting
3D Reconstruction of NMR Images by LabVIEW
Directory of Open Access Journals (Sweden)
Peter IZAK
2007-01-01
Full Text Available This paper introduces the experiment of 3D reconstruction NMR images via virtual instrumentation - LabVIEW. The main idea is based on marching cubes algorithm and image processing implemented by module of Vision assistant. The two dimensional images shot by the magnetic resonance device provide information about the surface properties of human body. There is implemented algorithm which can be used for 3D reconstruction of magnetic resonance images in biomedical application.
International Nuclear Information System (INIS)
Berthault, Patrick
1988-01-01
Oligosaccharides are natural compounds of huge importance as they intervene in all metabolic processes of cell life. Before the determination of structure-activity relationships, a precise knowledge of their chemical nature is therefore required. Thus, this research thesis aims at describing various experiments of high resolution nuclear magnetic resonance (NMR), and at demonstrating their applications on four oligosaccharides. After a brief description of NMR principles by using a conventional description and also a formalism derived from quantum mechanics, the author outlines the weaknesses of old NMR techniques, and introduces new techniques by using scalar couplings, by processing magnetization transfers with one-dimensional hetero-nuclear experiments. General principles of two-dimensional experiments are then presented and developed in terms of simple correlations, multiple correlations, correlations via double quantum coherencies. Experiments with light water are then described, and different experiments are performed to determine the structure and conformation of each unit. Bipolar interactions are then addressed to highlight proximities between atoms [fr
Evidence for two-dimensional ising structure in atomic nuclei
International Nuclear Information System (INIS)
MacGregor, M.H.
1976-01-01
Although the unpaired nucleons in an atomic nucleus exhibit pronounced shell-model-like behavior, the situation with respect to the paired-off ''core region'' nucleons is considerably more obscure. Several recent ''multi-alpha knockout'' and ''quasi-fission'' experiments indicate that nucleon clustering is prevalent throughout the core region of the nucleus; this same conclusion is suggested by nuclear-binding-energy systematics, by the evidence for a ''neutron halo'' in heavy nuclei and by the magnetic-moment systematics of low-mass odd-A nuclei. A number of arguments suggests, in turn, that this nucleon clustering is not spherical or spheroidal in shape, as has generally been assumed, but instead is in the form of two-dimensional Ising-like layers, with the layers arrayed perpendicular to the symmetry axis of the nucleus. The effects of this two-dimensional layering are observed most clearly in low-energy-induced fission, where nuclei with an even (odd) number of Ising layers fission symmetrically (asymmetrically). This picture of the nucleus gives an immediate quantitative explanation for the observed asymmetry in the fission of uranium, and also for the transition from symmetric to asymmetric and back to symmetric fission as the atomic number of the fissioning nuclues increase from A = 197 up to A = 258. These results suggest that, in the shell model formulation of the atomic nucleus, the basis states for the paired-off nucleon core region should be modified so as to contain laminar nucleon cluster correlations
Development of two dimensional electrophoresis method using single chain DNA
International Nuclear Information System (INIS)
Ikeda, Junichi; Hidaka, So
1998-01-01
By combining a separation method due to molecular weight and a method to distinguish difference of mono-bases, it was aimed to develop a two dimensional single chain DNA labeled with Radioisotope (RI). From electrophoretic pattern difference of parent and variant strands, it was investigated to isolate the root module implantation control gene. At first, a Single Strand Conformation Polymorphism (SSCP) method using concentration gradient gel was investigated. As a result, it was formed that intervals between double chain and single chain DNAs expanded, but intervals of both single chain DNAs did not expand. On next, combination of non-modified acrylic amide electrophoresis method and Denaturing Gradient-Gel Electrophoresis (DGGE) method was examined. As a result, hybrid DNA developed by two dimensional electrophoresis arranged on two lines. But, among them a band of DNA modified by high concentration of urea could not be found. Therefore, in this fiscal year's experiments, no preferable result could be obtained. By the used method, it was thought to be impossible to detect the differences. (G.K.)
Two-dimensional silica opens new perspectives
Büchner, Christin; Heyde, Markus
2017-12-01
In recent years, silica films have emerged as a novel class of two-dimensional (2D) materials. Several groups succeeded in epitaxial growth of ultrathin SiO2 layers using different growth methods and various substrates. The structures consist of tetrahedral [SiO4] building blocks in two mirror symmetrical planes, connected via oxygen bridges. This arrangement is called a silica bilayer as it is the thinnest 2D arrangement with the stoichiometry SiO2 known today. With all bonds saturated within the nano-sheet, the interaction with the substrate is based on van der Waals forces. Complex ring networks are observed, including hexagonal honeycomb lattices, point defects and domain boundaries, as well as amorphous domains. The network structures are highly tuneable through variation of the substrate, deposition parameters, cooling procedure, introducing dopants or intercalating small species. The amorphous networks and structural defects were resolved with atomic resolution microscopy and modeled with density functional theory and molecular dynamics. Such data contribute to our understanding of the formation and characteristic motifs of glassy systems. Growth studies and doping with other chemical elements reveal ways to tune ring sizes and defects as well as chemical reactivities. The pristine films have been utilized as molecular sieves and for confining molecules in nanocatalysis. Post growth hydroxylation can be used to tweak the reactivity as well. The electronic properties of silica bilayers are favourable for using silica as insulators in 2D material stacks. Due to the fully saturated atomic structure, the bilayer interacts weakly with the substrate and can be described as quasi-freestanding. Recently, a mm-scale film transfer under structure retention has been demonstrated. The chemical and mechanical stability of silica bilayers is very promising for technological applications in 2D heterostacks. Due to the impact of this bilayer system for glass science
Selected topics from recent NMR studies of organolithium compounds
Directory of Open Access Journals (Sweden)
Günther Harald
1999-01-01
Full Text Available After a short introduction to NMR spectroscopy of alkali and alkaline earth metals the review concentrates on NMR investigations of organolithium compounds. The isotopic fingerprint method, which rests on deuterium-induced isotope shifts for 6Li resonances, is introduced and exemplified with applications from the aggregation behavior of cyclopropyllithium systems and mixed aggregate formation between methyllithium and lithium salts. In the following chapter, one- and two-dimensional pulse experiments, both for homo- and for heteronuclear spin systems are discussed. Finally, the structural aspects associated with benzyllithium are outlined and the formation of polylithium systems by lithium reduction of biphenylenes is described.
International Nuclear Information System (INIS)
Zweckstetter, Markus; Holak, Tad A.
1999-01-01
We show that adiabatic fast passage (AFP) pulses are robust refocusing elements of transverse 13 C magnetization in multidimensional NMR experiments. A pair of identical AFP pulses can refocus selected parts or a complete 13 C chemical shift range in 13 C spectra. In the constant time 13 C- 1 H HSQC, replacement of attenuated rectangular pulses by selective AFP pulses results in a sensitivity enhancement of up to a factor of 1.8. In the 3D CBCA(CO)NH the signal-to-noise ratio is increased by a factor of up to 1.6
Sample preparation guidelines for two-dimensional electrophoresis.
Posch, Anton
2014-12-01
Sample preparation is one of the key technologies for successful two-dimensional electrophoresis (2DE). Due to the great diversity of protein sample types and sources, no single sample preparation method works with all proteins; for any sample the optimum procedure must be determined empirically. This review is meant to provide a broad overview of the most important principles in sample preparation in order to avoid a multitude of possible pitfalls. Sample preparation protocols from the expert in the field were screened and evaluated. On the basis of these protocols and my own comprehensive practical experience important guidelines are given in this review. The presented guidelines will facilitate straightforward protocol development for researchers new to gel-based proteomics. In addition the available choices are rationalized in order to successfully prepare a protein sample for 2DE separations. The strategies described here are not limited to 2DE and can also be applied to other protein separation techniques.
Two dimensional radiated power diagnostics on Alcator C-Mod
International Nuclear Information System (INIS)
Reinke, M. L.; Hutchinson, I. H.
2008-01-01
The radiated power diagnostics for the Alcator C-Mod tokamak have been upgraded to measure two dimensional structure of the photon emissivity profile in order to investigate poloidal asymmetries in the core radiation. Commonly utilized unbiased absolute extreme ultraviolet (AXUV) diode arrays view the plasma along five different horizontal planes. The layout of the diagnostic set is shown and the results from calibrations and recent experiments are discussed. Data showing a significant, 30%-40%, inboard/outboard emissivity asymmetry during ELM-free H-mode are presented. The ability to use AXUV diode arrays to measure absolute radiated power is explored by comparing diode and resistive bolometer-based emissivity profiles for highly radiative L-mode plasmas seeded with argon. Emissivity profiles match in the core but disagree radially outward resulting in an underprediction of P rad of nearly 50% by the diodes compared to P rad determined using resistive bolometers.
Self-organized defect strings in two-dimensional crystals.
Lechner, Wolfgang; Polster, David; Maret, Georg; Keim, Peter; Dellago, Christoph
2013-12-01
Using experiments with single-particle resolution and computer simulations we study the collective behavior of multiple vacancies injected into two-dimensional crystals. We find that the defects assemble into linear strings, terminated by dislocations with antiparallel Burgers vectors. We show that these defect strings propagate through the crystal in a succession of rapid one-dimensional gliding and rare rotations. While the rotation rate decreases exponentially with the number of defects in the string, the diffusion constant is constant for large strings. By monitoring the separation of the dislocations at the end points, we measure their effective interactions with high precision beyond their spontaneous formation and annihilation, and we explain the double-well form of the dislocation interaction in terms of continuum elasticity theory.
Two-dimensional computer simulation of high intensity proton beams
Lapostolle, Pierre M
1972-01-01
A computer program has been developed which simulates the two- dimensional transverse behaviour of a proton beam in a focusing channel. The model is represented by an assembly of a few thousand 'superparticles' acted upon by their own self-consistent electric field and an external focusing force. The evolution of the system is computed stepwise in time by successively solving Poisson's equation and Newton's law of motion. Fast Fourier transform techniques are used for speed in the solution of Poisson's equation, while extensive area weighting is utilized for the accurate evaluation of electric field components. A computer experiment has been performed on the CERN CDC 6600 computer to study the nonlinear behaviour of an intense beam in phase space, showing under certain circumstances a filamentation due to space charge and an apparent emittance growth. (14 refs).
Electrical conductivity of quasi-two-dimensional foams.
Yazhgur, Pavel; Honorez, Clément; Drenckhan, Wiebke; Langevin, Dominique; Salonen, Anniina
2015-04-01
Quasi-two-dimensional (quasi-2D) foams consist of monolayers of bubbles squeezed between two narrowly spaced plates. These simplified foams have served successfully in the past to shed light on numerous issues in foam physics. Here we consider the electrical conductivity of such model foams. We compare experiments to a model which we propose, and which successfully relates the structural and the conductive properties of the foam over the full range of the investigated liquid content. We show in particular that in the case of quasi-2D foams the liquid in the nodes needs to be taken into account even at low liquid content. We think that these results may provide different approaches for the characterization of foam properties and for the in situ characterization of the liquid content of foams in confining geometries, such as microfluidics.
Two dimensional radiated power diagnostics on Alcator C-Moda)
Reinke, M. L.; Hutchinson, I. H.
2008-10-01
The radiated power diagnostics for the Alcator C-Mod tokamak have been upgraded to measure two dimensional structure of the photon emissivity profile in order to investigate poloidal asymmetries in the core radiation. Commonly utilized unbiased absolute extreme ultraviolet (AXUV) diode arrays view the plasma along five different horizontal planes. The layout of the diagnostic set is shown and the results from calibrations and recent experiments are discussed. Data showing a significant, 30%-40%, inboard/outboard emissivity asymmetry during ELM-free H-mode are presented. The ability to use AXUV diode arrays to measure absolute radiated power is explored by comparing diode and resistive bolometer-based emissivity profiles for highly radiative L-mode plasmas seeded with argon. Emissivity profiles match in the core but disagree radially outward resulting in an underprediction of Prad of nearly 50% by the diodes compared to Prad determined using resistive bolometers.
Lie algebra contractions on two-dimensional hyperboloid
International Nuclear Information System (INIS)
Pogosyan, G. S.; Yakhno, A.
2010-01-01
The Inoenue-Wigner contraction from the SO(2, 1) group to the Euclidean E(2) and E(1, 1) group is used to relate the separation of variables in Laplace-Beltrami (Helmholtz) equations for the four corresponding two-dimensional homogeneous spaces: two-dimensional hyperboloids and two-dimensional Euclidean and pseudo-Euclidean spaces. We show how the nine systems of coordinates on the two-dimensional hyperboloids contracted to the four systems of coordinates on E 2 and eight on E 1,1 . The text was submitted by the authors in English.
Ozarslan, Evren; Shemesh, Noam; Basser, Peter J
2009-03-14
Based on a description introduced by Robertson, Grebenkov recently introduced a powerful formalism to represent the diffusion-attenuated NMR signal for simple pore geometries such as slabs, cylinders, and spheres analytically. In this work, we extend this multiple correlation function formalism by allowing for possible variations in the direction of the magnetic field gradient waveform. This extension is necessary, for example, to incorporate the effects of imaging gradients in diffusion-weighted NMR imaging scans and in characterizing anisotropy at different length scales via double pulsed field gradient (PFG) experiments. In cylindrical and spherical pores, respectively, two- and three-dimensional vector operators are employed whose form is deduced from Grebenkov's results via elementary operator algebra for the case of cylinders and the Wigner-Eckart theorem for the case of spheres. The theory was validated by comparison with known findings and with experimental double-PFG data obtained from water-filled microcapillaries.
Özarslan, Evren; Shemesh, Noam; Basser, Peter J.
2009-03-01
Based on a description introduced by Robertson, Grebenkov recently introduced a powerful formalism to represent the diffusion-attenuated NMR signal for simple pore geometries such as slabs, cylinders, and spheres analytically. In this work, we extend this multiple correlation function formalism by allowing for possible variations in the direction of the magnetic field gradient waveform. This extension is necessary, for example, to incorporate the effects of imaging gradients in diffusion-weighted NMR imaging scans and in characterizing anisotropy at different length scales via double pulsed field gradient (PFG) experiments. In cylindrical and spherical pores, respectively, two- and three-dimensional vector operators are employed whose form is deduced from Grebenkov's results via elementary operator algebra for the case of cylinders and the Wigner-Eckart theorem for the case of spheres. The theory was validated by comparison with known findings and with experimental double-PFG data obtained from water-filled microcapillaries.
Generation of two-dimensional binary mixtures in complex plasmas
Wieben, Frank; Block, Dietmar
2016-10-01
Complex plasmas are an excellent model system for strong coupling phenomena. Under certain conditions the dust particles immersed into the plasma form crystals which can be analyzed in terms of structure and dynamics. Previous experiments focussed mostly on monodisperse particle systems whereas dusty plasmas in nature and technology are polydisperse. Thus, a first and important step towards experiments in polydisperse systems are binary mixtures. Recent experiments on binary mixtures under microgravity conditions observed a phase separation of particle species with different radii even for small size disparities. This contradicts several numerical studies of 2D binary mixtures. Therefore, dedicated experiments are required to gain more insight into the physics of polydisperse systems. In this contribution first ground based experiments on two-dimensional binary mixtures are presented. Particular attention is paid to the requirements for the generation of such systems which involve the consideration of the temporal evolution of the particle properties. Furthermore, the structure of these two-component crystals is analyzed and compared to simulations. This work was supported by the Deutsche Forschungsgemeinschaft DFG in the framework of the SFB TR24 Greifswald Kiel, Project A3b.
Energy Technology Data Exchange (ETDEWEB)
Millar, J.M.
1986-02-01
High field solid-state NMR lineshapes suffer from inhomogeneous broadening since resonance frequencies are a function of molecular orientation. Time domain zero field NMR is a two-dimensional field-cycling technique which removes this broadening by probing the evolution of the spin system under zero applied field. The simplest version, the sudden transition experiment, induces zero field evolution by the sudden removal of the applied magnetic field. Theory and experimental results of this experiment and several variations using pulsed dc magnetic fuelds to initiate zero field evolution are presented. In particular, the pulsed indirect detection method allows detection of the zero field spectrum of one nuclear spin species via another (usually protons) by utilizing the level crossings which occur upon adiabatic demagnetization to zero field. Experimental examples of proton/deuteron systems are presented which demonstrate the method results in enhanced sensitivity relative to that obtained in sudden transition experiments performed directly on deuterium. High resolution /sup 2/H NQR spectra of a series of benzoic acid derivatives are obtained using the sudden transition and indirect detection methods. Librational oscillations in the water molecules of barium chlorate monohydrate are studied using proton and deuterium ZF experiments. 177 refs., 88 figs., 2 tabs.
Ligare, Martin
2016-05-01
Multiple-pulse NMR experiments are a powerful tool for the investigation of molecules with coupled nuclear spins. The product operator formalism provides a way to understand the quantum evolution of an ensemble of weakly coupled spins in such experiments using some of the more intuitive concepts of classical physics and semi-classical vector representations. In this paper I present a new way in which to interpret the quantum evolution of an ensemble of spins. I recast the quantum problem in terms of mixtures of pure states of two spins whose expectation values evolve identically to those of classical moments. Pictorial representations of these classically evolving states provide a way to calculate the time evolution of ensembles of weakly coupled spins without the full machinery of quantum mechanics, offering insight to anyone who understands precession of magnetic moments in magnetic fields.
Large area two dimensional position sensitive detectors
International Nuclear Information System (INIS)
Sann, H.; Olmi, A.; Lynen, U.; Stelzer, H.; Gobbi, A.; Bock, R.
1979-02-01
After an introduction, a position-sensitive ionization chamber, a parallel-plate detector, and a multiwire position-sensitive chamber are described. Then the data acquisition and analysis methods are considered. Furthermore, the experimental methods for a multi-parameter experiment are described. Finally, the measurement of gamma-ray and neutron multiplicities and sequential fission is considered, and the results are presented. (HSI) [de
Beginning Introductory Physics with Two-Dimensional Motion
Huggins, Elisha
2009-01-01
During the session on "Introductory College Physics Textbooks" at the 2007 Summer Meeting of the AAPT, there was a brief discussion about whether introductory physics should begin with one-dimensional motion or two-dimensional motion. Here we present the case that by starting with two-dimensional motion, we are able to introduce a considerable…
Two-dimensional black holes and non-commutative spaces
International Nuclear Information System (INIS)
Sadeghi, J.
2008-01-01
We study the effects of non-commutative spaces on two-dimensional black hole. The event horizon of two-dimensional black hole is obtained in non-commutative space up to second order of perturbative calculations. A lower limit for the non-commutativity parameter is also obtained. The observer in that limit in contrast to commutative case see two horizon
Solution of the two-dimensional spectral factorization problem
Lawton, W. M.
1985-01-01
An approximation theorem is proven which solves a classic problem in two-dimensional (2-D) filter theory. The theorem shows that any continuous two-dimensional spectrum can be uniformly approximated by the squared modulus of a recursively stable finite trigonometric polynomial supported on a nonsymmetric half-plane.
Two-dimensional Navier-Stokes turbulence in bounded domains
Clercx, H.J.H.; van Heijst, G.J.F.
In this review we will discuss recent experimental and numerical results of quasi-two-dimensional decaying and forced Navier–Stokes turbulence in bounded domains. We will give a concise overview of developments in two-dimensional turbulence research, with emphasis on the progress made during the
Two-dimensional Navier-Stokes turbulence in bounded domains
Clercx, H.J.H.; Heijst, van G.J.F.
2009-01-01
In this review we will discuss recent experimental and numerical results of quasi-two-dimensional decaying and forced Navier–Stokes turbulence in bounded domains. We will give a concise overview of developments in two-dimensional turbulence research, with emphasis on the progress made during the
International Nuclear Information System (INIS)
Takahashi, Hideo; Igarashi, Takako; Shimada, Ichio; Arata, Yoji
1991-01-01
The Fv fragment, a univalent antigen-binding unit with a molecular weight of 25,000, has successfully been prepared in high yield by limited proteolysis with clostripain of a short-chain mouse IgG2a anti-dansyl monoclonal antibody in which the entire C H 1 domain is deleted. The Fv fragment obtained is stable at room temperature and retains its full antigen-binding capability. It has been shown that selective deuterium labeling of the Fv fragment, which is half the size of the Fab fragment, provides 1 H NMR spectral data at a sufficient resolution for a detailed structural analysis of the antigen-combining site. NOESY spectra of an Fv analogue, in which all aromatic protons except for His C2'-H and Tyr C3',5'-H had been deuterated, were measured in the presence of varying amounts of dansyl-L-lysine. On the basis of the NOESY data obtained, it was possible to assign all the ring proton resonances for the dansly group that is bound to the Fv fragment. It was also possible to obtain information about His and Tyr residues of the Fv fragment in the absence and presence of the antigen. On the basis of the NMR data obtained, the authors have shown that at least two Tyr residues along with one of the amide groups are directly involved in antigen binding. The mode of interaction of the dansyl ring with these residues in the Fv fragment has briefly been discussed
Energy Technology Data Exchange (ETDEWEB)
Takahashi, Hideo; Igarashi, Takako; Shimada, Ichio; Arata, Yoji (Univ. of Tokyo (Japan))
1991-03-19
The Fv fragment, a univalent antigen-binding unit with a molecular weight of 25,000, has successfully been prepared in high yield by limited proteolysis with clostripain of a short-chain mouse IgG2a anti-dansyl monoclonal antibody in which the entire C{sub H}1 domain is deleted. The Fv fragment obtained is stable at room temperature and retains its full antigen-binding capability. It has been shown that selective deuterium labeling of the Fv fragment, which is half the size of the Fab fragment, provides {sup 1}H NMR spectral data at a sufficient resolution for a detailed structural analysis of the antigen-combining site. NOESY spectra of an Fv analogue, in which all aromatic protons except for His C2{prime}-H and Tyr C3{prime},5{prime}-H had been deuterated, were measured in the presence of varying amounts of dansyl-L-lysine. On the basis of the NOESY data obtained, it was possible to assign all the ring proton resonances for the dansly group that is bound to the Fv fragment. It was also possible to obtain information about His and Tyr residues of the Fv fragment in the absence and presence of the antigen. On the basis of the NMR data obtained, the authors have shown that at least two Tyr residues along with one of the amide groups are directly involved in antigen binding. The mode of interaction of the dansyl ring with these residues in the Fv fragment has briefly been discussed.
Fourier transform and its application to 1D and 2D NMR
International Nuclear Information System (INIS)
Canet, D.
1988-01-01
In this review article, the following points are developed: Pulsed NMR and Fourier transform; Fourier transform and two-dimensional spectroscopy; Mathematical properties of Fourier transform; Fourier transform of a sine function- one dimensional NMR; Fourier transform of a product of sine functions - two-dimensional NMR; Data manipulations in the time domain; Numerical Fourier transform [fr
Exploring two-dimensional electron gases with two-dimensional Fourier transform spectroscopy
Energy Technology Data Exchange (ETDEWEB)
Paul, J.; Dey, P.; Karaiskaj, D., E-mail: karaiskaj@usf.edu [Department of Physics, University of South Florida, 4202 East Fowler Ave., Tampa, Florida 33620 (United States); Tokumoto, T.; Hilton, D. J. [Department of Physics, University of Alabama at Birmingham, Birmingham, Alabama 35294 (United States); Reno, J. L. [CINT, Sandia National Laboratories, Albuquerque, New Mexico 87185 (United States)
2014-10-07
The dephasing of the Fermi edge singularity excitations in two modulation doped single quantum wells of 12 nm and 18 nm thickness and in-well carrier concentration of ∼4 × 10{sup 11} cm{sup −2} was carefully measured using spectrally resolved four-wave mixing (FWM) and two-dimensional Fourier transform (2DFT) spectroscopy. Although the absorption at the Fermi edge is broad at this doping level, the spectrally resolved FWM shows narrow resonances. Two peaks are observed separated by the heavy hole/light hole energy splitting. Temperature dependent “rephasing” (S{sub 1}) 2DFT spectra show a rapid linear increase of the homogeneous linewidth with temperature. The dephasing rate increases faster with temperature in the narrower 12 nm quantum well, likely due to an increased carrier-phonon scattering rate. The S{sub 1} 2DFT spectra were measured using co-linear, cross-linear, and co-circular polarizations. Distinct 2DFT lineshapes were observed for co-linear and cross-linear polarizations, suggesting the existence of polarization dependent contributions. The “two-quantum coherence” (S{sub 3}) 2DFT spectra for the 12 nm quantum well show a single peak for both co-linear and co-circular polarizations.
Non-parametric comparison of histogrammed two-dimensional data distributions using the Energy Test
International Nuclear Information System (INIS)
Reid, Ivan D; Lopes, Raul H C; Hobson, Peter R
2012-01-01
When monitoring complex experiments, comparison is often made between regularly acquired histograms of data and reference histograms which represent the ideal state of the equipment. With the larger HEP experiments now ramping up, there is a need for automation of this task since the volume of comparisons could overwhelm human operators. However, the two-dimensional histogram comparison tools available in ROOT have been noted in the past to exhibit shortcomings. We discuss a newer comparison test for two-dimensional histograms, based on the Energy Test of Aslan and Zech, which provides more conclusive discrimination between histograms of data coming from different distributions than methods provided in a recent ROOT release.
International Nuclear Information System (INIS)
Takeuchi, Koh; Heffron, Gregory; Sun, Zhen-Yu J.; Frueh, Dominique P.; Wagner, Gerhard
2010-01-01
Heteronuclear direct-detection experiments, which utilize the slower relaxation properties of low γ nuclei, such as 13 C have recently been proposed for sequence-specific assignment and structural analyses of large, unstructured, and/or paramagnetic proteins. Here we present two novel 15 N direct-detection experiments. The CAN experiment sequentially connects amide 15 N resonances using 13 C α chemical shift matching, and the CON experiment connects the preceding 13 C' nuclei. When starting from the same carbon polarization, the intensities of nitrogen signals detected in the CAN or CON experiments would be expected four times lower than those of carbon resonances observed in the corresponding 13 C-detecting experiment, NCA-DIPAP or NCO-IPAP (Bermel et al. 2006b; Takeuchi et al. 2008). However, the disadvantage due to the lower γ is counteracted by the slower 15 N transverse relaxation during detection, the possibility for more efficient decoupling in both dimensions, and relaxation optimized properties of the pulse sequences. As a result, the median S/N in the 15 N observe CAN experiment is 16% higher than in the 13 C observe NCA-DIPAP experiment. In addition, significantly higher sensitivity was observed for those residues that are hard to detect in the NCA-DIPAP experiment, such as Gly, Ser and residues with high-field C α resonances. Both CAN and CON experiments are able to detect Pro resonances that would not be observed in conventional proton-detected experiments. In addition, those experiments are free from problems of incomplete deuterium-to-proton back exchange in amide positions of perdeuterated proteins expressed in D 2 O. Thus, these features and the superior resolution of 15 N-detected experiments provide an attractive alternative for main chain assignments. The experiments are demonstrated with the small model protein GB1 at conditions simulating a 150 kDa protein, and the 52 kDa glutathione S-transferase dimer, GST.
Rajan, Arunkumar Chitteth; Rezapour, Mohammad Reza; Yun, Jeonghun; Cho, Yeonchoo; Cho, Woo Jong; Min, Seung Kyu; Lee, Geunsik; Kim, Kwang S
2014-02-25
Laser-driven molecular spectroscopy of low spatial resolution is widely used, while electronic current-driven molecular spectroscopy of atomic scale resolution has been limited because currents provide only minimal information. However, electron transmission of a graphene nanoribbon on which a molecule is adsorbed shows molecular fingerprints of Fano resonances, i.e., characteristic features of frontier orbitals and conformations of physisorbed molecules. Utilizing these resonance profiles, here we demonstrate two-dimensional molecular electronics spectroscopy (2D MES). The differential conductance with respect to bias and gate voltages not only distinguishes different types of nucleobases for DNA sequencing but also recognizes methylated nucleobases which could be related to cancerous cell growth. This 2D MES could open an exciting field to recognize single molecule signatures at atomic resolution. The advantages of the 2D MES over the one-dimensional (1D) current analysis can be comparable to those of 2D NMR over 1D NMR analysis.
Zero Quantum Nuclear Magnetic Resonance experiments utilizing a toroid cell and coil
Bebout, William Roach
1989-01-01
Over the past ten to fifteen years the area of Nuclear Magnetic Resonance (NMR) Spectroscopy has seen tremendous growth. For example, in conjunction with multiple quantum NMR, molecular structural mapping of a compound can be easily performed in a two dimensional (2D) experiment. However, only two kinds of detector coils have been typically used in NMR studies. These are the solenoid coil and the Helmholtz coil. The solenoid coil was very popular with the permanent and e...
Functional inks and printing of two-dimensional materials.
Hu, Guohua; Kang, Joohoon; Ng, Leonard W T; Zhu, Xiaoxi; Howe, Richard C T; Jones, Christopher G; Hersam, Mark C; Hasan, Tawfique
2018-05-08
Graphene and related two-dimensional materials provide an ideal platform for next generation disruptive technologies and applications. Exploiting these solution-processed two-dimensional materials in printing can accelerate this development by allowing additive patterning on both rigid and conformable substrates for flexible device design and large-scale, high-speed, cost-effective manufacturing. In this review, we summarise the current progress on ink formulation of two-dimensional materials and the printable applications enabled by them. We also present our perspectives on their research and technological future prospects.
Third sound in one and two dimensional modulated structures
International Nuclear Information System (INIS)
Komuro, T.; Kawashima, H., Shirahama, K.; Kono, K.
1996-01-01
An experimental technique is developed to study acoustic transmission in one and two dimensional modulated structures by employing third sound of a superfluid helium film. In particular, the Penrose lattice, which is a two dimensional quasiperiodic structure, is studied. In two dimensions, the scattering of third sound is weaker than in one dimension. Nevertheless, the authors find that the transmission spectrum in the Penrose lattice, which is a two dimensional prototype of the quasicrystal, is observable if the helium film thickness is chosen around 5 atomic layers. The transmission spectra in the Penrose lattice are explained in terms of dynamical theory of diffraction
Electromagnetic Wave Propagation in Two-Dimensional Photonic Crystals
Energy Technology Data Exchange (ETDEWEB)
Foteinopoulou, Stavroula [Iowa State Univ., Ames, IA (United States)
2003-01-01
In this dissertation, they have undertaken the challenge to understand the unusual propagation properties of the photonic crystal (PC). The photonic crystal is a medium where the dielectric function is periodically modulated. These types of structures are characterized by bands and gaps. In other words, they are characterized by frequency regions where propagation is prohibited (gaps) and regions where propagation is allowed (bands). In this study they focus on two-dimensional photonic crystals, i.e., structures with periodic dielectric patterns on a plane and translational symmetry in the perpendicular direction. They start by studying a two-dimensional photonic crystal system for frequencies inside the band gap. The inclusion of a line defect introduces allowed states in the otherwise prohibited frequency spectrum. The dependence of the defect resonance state on different parameters such as size of the structure, profile of incoming source, etc., is investigated in detail. For this study, they used two popular computational methods in photonic crystal research, the Finite Difference Time Domain method (FDTD) and the Transfer Matrix Method (TMM). The results for the one-dimensional defect system are analyzed, and the two methods, FDTD and TMM, are compared. Then, they shift their attention only to periodic two-dimensional crystals, concentrate on their band properties, and study their unusual refractive behavior. Anomalous refractive phenomena in photonic crystals included cases where the beam refracts on the ''wrong'' side of the surface normal. The latter phenomenon, is known as negative refraction and was previously observed in materials where the wave vector, the electric field, and the magnetic field form a left-handed set of vectors. These materials are generally called left-handed materials (LHM) or negative index materials (NIM). They investigated the possibility that the photonic crystal behaves as a LHM, and how this behavior relates
Multisoliton formula for completely integrable two-dimensional systems
International Nuclear Information System (INIS)
Chudnovsky, D.V.; Chudnovsky, G.V.
1979-01-01
For general two-dimensional completely integrable systems, the exact formulae for multisoliton type solutions are given. The formulae are obtained algebrically from solutions of two linear partial differential equations
Two-dimensional electronic femtosecond stimulated Raman spectroscopy
Directory of Open Access Journals (Sweden)
Ogilvie J.P.
2013-03-01
Full Text Available We report two-dimensional electronic spectroscopy with a femtosecond stimulated Raman scattering probe. The method reveals correlations between excitation energy and excited state vibrational structure following photoexcitation. We demonstrate the method in rhodamine 6G.
Micromachined two dimensional resistor arrays for determination of gas parameters
van Baar, J.J.J.; Verwey, Willem B.; Dijkstra, Mindert; Dijkstra, Marcel; Wiegerink, Remco J.; Lammerink, Theodorus S.J.; Krijnen, Gijsbertus J.M.; Elwenspoek, Michael Curt
A resistive sensor array is presented for two dimensional temperature distribution measurements in a micromachined flow channel. This allows simultaneous measurement of flow velocity and fluid parameters, like thermal conductivity, diffusion coefficient and viscosity. More general advantages of
Generalized similarity method in unsteady two-dimensional MHD ...
African Journals Online (AJOL)
user
International Journal of Engineering, Science and Technology. Vol. 1, No. 1, 2009 ... temperature two-dimensional MHD laminar boundary layer of incompressible fluid. ...... Φ η is Blasius solution for stationary boundary layer on the plate,. ( ). 0.
Hartel, Aaron M.; Moore, Amy C.
2014-01-01
The extraction and analysis of fats from convenience foods (crackers, cookies, chips, candies) has been developed as an experiment for a second-year undergraduate organic chemistry laboratory course. Students gravimetrically determine the fat content per serving and then perform a [superscript 1]H NMR analysis of the recovered fat to determine the…
Direct {sup 13}C-detected NMR experiments for mapping and characterization of hydrogen bonds in RNA
Energy Technology Data Exchange (ETDEWEB)
Fürtig, Boris, E-mail: fuertig@nmr.uni-frankfurt.de; Schnieders, Robbin; Richter, Christian; Zetzsche, Heidi; Keyhani, Sara; Helmling, Christina [Johann Wolfgang Goethe Universität Frankfurt, Center for Biomolecular Magnetic Resonance (BMRZ), Institute of Organic Chemistry and Chemical Biology (Germany); Kovacs, Helena [Bruker BioSpin (Switzerland); Schwalbe, Harald, E-mail: schwalbe@nmr.uni-frankfurt.de [Johann Wolfgang Goethe Universität Frankfurt, Center for Biomolecular Magnetic Resonance (BMRZ), Institute of Organic Chemistry and Chemical Biology (Germany)
2016-03-15
In RNA secondary structure determination, it is essential to determine whether a nucleotide is base-paired and not. Base-pairing of nucleotides is mediated by hydrogen bonds. The NMR characterization of hydrogen bonds relies on experiments correlating the NMR resonances of exchangeable protons and can be best performed for structured parts of the RNA, where labile hydrogen atoms are protected from solvent exchange. Functionally important regions in RNA, however, frequently reveal increased dynamic disorder which often leads to NMR signals of exchangeable protons that are broadened beyond {sup 1}H detection. Here, we develop {sup 13}C direct detected experiments to observe all nucleotides in RNA irrespective of whether they are involved in hydrogen bonds or not. Exploiting the self-decoupling of scalar couplings due to the exchange process, the hydrogen bonding behavior of the hydrogen bond donor of each individual nucleotide can be determined. Furthermore, the adaption of HNN-COSY experiments for {sup 13}C direct detection allows correlations of donor–acceptor pairs and the localization of hydrogen-bond acceptor nucleotides. The proposed {sup 13}C direct detected experiments therefore provide information about molecular sites not amenable by conventional proton-detected methods. Such information makes the RNA secondary structure determination by NMR more accurate and helps to validate secondary structure predictions based on bioinformatics.
Topological aspect of disclinations in two-dimensional crystals
International Nuclear Information System (INIS)
Wei-Kai, Qi; Tao, Zhu; Yong, Chen; Ji-Rong, Ren
2009-01-01
By using topological current theory, this paper studies the inner topological structure of disclinations during the melting of two-dimensional systems. From two-dimensional elasticity theory, it finds that there are topological currents for topological defects in homogeneous equation. The evolution of disclinations is studied, and the branch conditions for generating, annihilating, crossing, splitting and merging of disclinations are given. (the physics of elementary particles and fields)
Structures of two-dimensional three-body systems
International Nuclear Information System (INIS)
Ruan, W.Y.; Liu, Y.Y.; Bao, C.G.
1996-01-01
Features of the structure of L = 0 states of a two-dimensional three-body model system have been investigated. Three types of permutation symmetry of the spatial part, namely symmetric, antisymmetric, and mixed, have been considered. A comparison has been made between the two-dimensional system and the corresponding three-dimensional one. The effect of symmetry on microscopic structures is emphasized. (author)
Controlled Interactions between Two Dimensional Layered Inorganic Nanosheets and Polymers
2016-06-15
AFRL-AFOSR-JP-TR-2016-0071 Controlled Interactions between Two Dimensional Layered Inorganic Nanosheets and Polymers Cheolmin Park YONSEI UNIVERSITY...Interactions between Two Dimensional Layered Inorganic Nanosheets and Polymers 5a. CONTRACT NUMBER 5b. GRANT NUMBER FA2386-14-1-4054 5c. PROGRAM ELEMENT...prospects for a variety of emerging applications in a broad range of fields, such as electronics, energy conversion and storage, catalysis and polymer
The theory of critical phenomena in two-dimensional systems
International Nuclear Information System (INIS)
Olvera de la C, M.
1981-01-01
An exposition of the theory of critical phenomena in two-dimensional physical systems is presented. The first six chapters deal with the mean field theory of critical phenomena, scale invariance of the thermodynamic functions, Kadanoff's spin block construction, Wilson's renormalization group treatment of critical phenomena in configuration space, and the two-dimensional Ising model on a triangular lattice. The second part of this work is made of four chapters devoted to the application of the ideas expounded in the first part to the discussion of critical phenomena in superfluid films, two-dimensional crystals and the two-dimensional XY model of magnetic systems. Chapters seven to ten are devoted to the following subjects: analysis of long range order in one, two, and three-dimensional physical systems. Topological defects in the XY model, in superfluid films and in two-dimensional crystals. The Thouless-Kosterlitz iterated mean field theory of the dipole gas. The renormalization group treatment of the XY model, superfluid films and two-dimensional crystal. (author)
Two-dimensional multifractal cross-correlation analysis
International Nuclear Information System (INIS)
Xi, Caiping; Zhang, Shuning; Xiong, Gang; Zhao, Huichang; Yang, Yonghong
2017-01-01
Highlights: • We study the mathematical models of 2D-MFXPF, 2D-MFXDFA and 2D-MFXDMA. • Present the definition of the two-dimensional N 2 -partitioned multiplicative cascading process. • Do the comparative analysis of 2D-MC by 2D-MFXPF, 2D-MFXDFA and 2D-MFXDMA. • Provide a reference on the choice and parameter settings of these methods in practice. - Abstract: There are a number of situations in which several signals are simultaneously recorded in complex systems, which exhibit long-term power-law cross-correlations. This paper presents two-dimensional multifractal cross-correlation analysis based on the partition function (2D-MFXPF), two-dimensional multifractal cross-correlation analysis based on the detrended fluctuation analysis (2D-MFXDFA) and two-dimensional multifractal cross-correlation analysis based on the detrended moving average analysis (2D-MFXDMA). We apply these methods to pairs of two-dimensional multiplicative cascades (2D-MC) to do a comparative study. Then, we apply the two-dimensional multifractal cross-correlation analysis based on the detrended fluctuation analysis (2D-MFXDFA) to real images and unveil intriguing multifractality in the cross correlations of the material structures. At last, we give the main conclusions and provide a valuable reference on how to choose the multifractal algorithms in the potential applications in the field of SAR image classification and detection.
Two-Dimensional Materials for Sensing: Graphene and Beyond
Directory of Open Access Journals (Sweden)
Seba Sara Varghese
2015-09-01
Full Text Available Two-dimensional materials have attracted great scientific attention due to their unusual and fascinating properties for use in electronics, spintronics, photovoltaics, medicine, composites, etc. Graphene, transition metal dichalcogenides such as MoS2, phosphorene, etc., which belong to the family of two-dimensional materials, have shown great promise for gas sensing applications due to their high surface-to-volume ratio, low noise and sensitivity of electronic properties to the changes in the surroundings. Two-dimensional nanostructured semiconducting metal oxide based gas sensors have also been recognized as successful gas detection devices. This review aims to provide the latest advancements in the field of gas sensors based on various two-dimensional materials with the main focus on sensor performance metrics such as sensitivity, specificity, detection limit, response time, and reversibility. Both experimental and theoretical studies on the gas sensing properties of graphene and other two-dimensional materials beyond graphene are also discussed. The article concludes with the current challenges and future prospects for two-dimensional materials in gas sensor applications.
Two-dimensional materials for novel liquid separation membranes
Ying, Yulong; Yang, Yefeng; Ying, Wen; Peng, Xinsheng
2016-08-01
Demand for a perfect molecular-level separation membrane with ultrafast permeation and a robust mechanical property for any kind of species to be blocked in water purification and desalination is urgent. In recent years, due to their intrinsic characteristics, such as a unique mono-atom thick structure, outstanding mechanical strength and excellent flexibility, as well as facile and large-scale production, graphene and its large family of two-dimensional (2D) materials are regarded as ideal membrane materials for ultrafast molecular separation. A perfect separation membrane should be as thin as possible to maximize its flux, mechanically robust and without failure even if under high loading pressure, and have a narrow nanochannel size distribution to guarantee its selectivity. The latest breakthrough in 2D material-based membranes will be reviewed both in theories and experiments, including their current state-of-the-art fabrication, structure design, simulation and applications. Special attention will be focused on the designs and strategies employed to control microstructures to enhance permeation and selectivity for liquid separation. In addition, critical views on the separation mechanism within two-dimensional material-based membranes will be provided based on a discussion of the effects of intrinsic defects during growth, predefined nanopores and nanochannels during subsequent fabrication processes, the interlayer spacing of stacking 2D material flakes and the surface charge or functional groups. Furthermore, we will summarize the significant progress of these 2D material-based membranes for liquid separation in nanofiltration/ultrafiltration and pervaporation. Lastly, we will recall issues requiring attention, and discuss existing questionable conclusions in some articles and emerging challenges. This review will serve as a valuable platform to provide a compact source of relevant and timely information about the development of 2D material-based membranes as
Two-dimensional materials for novel liquid separation membranes.
Ying, Yulong; Yang, Yefeng; Ying, Wen; Peng, Xinsheng
2016-08-19
Demand for a perfect molecular-level separation membrane with ultrafast permeation and a robust mechanical property for any kind of species to be blocked in water purification and desalination is urgent. In recent years, due to their intrinsic characteristics, such as a unique mono-atom thick structure, outstanding mechanical strength and excellent flexibility, as well as facile and large-scale production, graphene and its large family of two-dimensional (2D) materials are regarded as ideal membrane materials for ultrafast molecular separation. A perfect separation membrane should be as thin as possible to maximize its flux, mechanically robust and without failure even if under high loading pressure, and have a narrow nanochannel size distribution to guarantee its selectivity. The latest breakthrough in 2D material-based membranes will be reviewed both in theories and experiments, including their current state-of-the-art fabrication, structure design, simulation and applications. Special attention will be focused on the designs and strategies employed to control microstructures to enhance permeation and selectivity for liquid separation. In addition, critical views on the separation mechanism within two-dimensional material-based membranes will be provided based on a discussion of the effects of intrinsic defects during growth, predefined nanopores and nanochannels during subsequent fabrication processes, the interlayer spacing of stacking 2D material flakes and the surface charge or functional groups. Furthermore, we will summarize the significant progress of these 2D material-based membranes for liquid separation in nanofiltration/ultrafiltration and pervaporation. Lastly, we will recall issues requiring attention, and discuss existing questionable conclusions in some articles and emerging challenges. This review will serve as a valuable platform to provide a compact source of relevant and timely information about the development of 2D material-based membranes as
Two-dimensional disruption thermal analysis code DREAM
International Nuclear Information System (INIS)
Yamazaki, Seiichiro; Kobayashi, Takeshi; Seki, Masahiro.
1988-08-01
When a plasma disruption takes place in a tokamak type fusion reactor, plasma facing components such as first wall and divertor/limiter are subjected to an intense heat load with very high heat flux and short duration. At the surface of the wall, temperature rapidly rises, and melting and evaporation occurs, it causes reduction of wall thickness and crack initiation/propagation. As lifetime of the components is significantly affected by them, the transient analysis in consideration of phase changes (melting/evaporation) and radiation heat loss is required in the design of these components. This paper describes the computer code DREAM developed to perform the two-dimensional transient thermal analysis that takes phase changes and radiation into account. The input and output of the code and a sample analysis on a disruption simulation experiment are also reported. The user's input manual is added as an appendix. The profiles and time variations of temperature, and melting and evaporated thicknesses of the material subjected to intense heat load can be obtained, using this computer code. This code also gives the temperature data for elastoplastic analysis with FEM structural analysis codes (ADINA, MARC, etc.) to evaluate the thermal stress and crack propagation behavior within the wall materials. (author)
Fractional calculus phenomenology in two-dimensional plasma models
Gustafson, Kyle; Del Castillo Negrete, Diego; Dorland, Bill
2006-10-01
Transport processes in confined plasmas for fusion experiments, such as ITER, are not well-understood at the basic level of fully nonlinear, three-dimensional kinetic physics. Turbulent transport is invoked to describe the observed levels in tokamaks, which are orders of magnitude greater than the theoretical predictions. Recent results show the ability of a non-diffusive transport model to describe numerical observations of turbulent transport. For example, resistive MHD modeling of tracer particle transport in pressure-gradient driven turbulence for a three-dimensional plasma reveals that the superdiffusive (2̂˜t^α where α> 1) radial transport in this system is described quantitatively by a fractional diffusion equation Fractional calculus is a generalization involving integro-differential operators, which naturally describe non-local behaviors. Our previous work showed the quantitative agreement of special fractional diffusion equation solutions with numerical tracer particle flows in time-dependent linearized dynamics of the Hasegawa-Mima equation (for poloidal transport in a two-dimensional cold-ion plasma). In pursuit of a fractional diffusion model for transport in a gyrokinetic plasma, we now present numerical results from tracer particle transport in the nonlinear Hasegawa-Mima equation and a planar gyrokinetic model. Finite Larmor radius effects will be discussed. D. del Castillo Negrete, et al, Phys. Rev. Lett. 94, 065003 (2005).
Two dimensional simulation of high power laser-surface interaction
International Nuclear Information System (INIS)
Goldman, S.R.; Wilke, M.D.; Green, R.E.L.; Johnson, R.P.; Busch, G.E.
1998-01-01
For laser intensities in the range of 10 8 --10 9 W/cm 2 , and pulse lengths of order 10 microsec or longer, the authors have modified the inertial confinement fusion code Lasnex to simulate gaseous and some dense material aspects of the laser-matter interaction. The unique aspect of their treatment consists of an ablation model which defines a dense material-vapor interface and then calculates the mass flow across this interface. The model treats the dense material as a rigid two-dimensional mass and heat reservoir suppressing all hydrodynamic motion in the dense material. The computer simulations and additional post-processors provide predictions for measurements including impulse given to the target, pressures at the target interface, electron temperatures and densities in the vapor-plasma plume region, and emission of radiation from the target. The authors will present an analysis of some relatively well diagnosed experiments which have been useful in developing their modeling. The simulations match experimentally obtained target impulses, pressures at the target surface inside the laser spot, and radiation emission from the target to within about 20%. Hence their simulational technique appears to form a useful basis for further investigation of laser-surface interaction in this intensity, pulse-width range. This work is useful in many technical areas such as materials processing
Study of two-dimensional Debye clusters using Brownian motion
International Nuclear Information System (INIS)
Sheridan, T.E.; Theisen, W.L.
2006-01-01
A two-dimensional Debye cluster is a system of n identical particles confined in a parabolic well and interacting through a screened Coulomb (i.e., a Debye-Hueckel or Yukawa) potential with a Debye length λ. Experiments were performed for 27 clusters with n=3-63 particles (9 μm diam) in a capacitively coupled 9 W rf discharge at a neutral argon pressure of 13.6 mTorr. In the strong-coupling regime each particle exhibits small amplitude Brownian motion about its equilibrium position. These motions were projected onto the center-of-mass and breathing modes and Fourier analyzed to give resonance curves from which the mode frequencies, amplitudes, and damping rates were determined. The ratio of the breathing frequency to the center-of-mass frequency was compared with theory to self-consistently determine the Debye shielding parameter κ, Debye length λ, particle charge q, and mode temperatures. It is found that 1 < or approx. κ < or approx. 2, and κ decreases weakly with n. The particle charge averaged over all measurements is -14 200±200 e, and q decreases slightly with n. The two center-of-mass modes and the breathing mode are found to have the same temperature, indicating that the clusters are in thermal equilibrium with the neutral gas. The average cluster temperature is 399±5 K
Two-dimensional integrated Z-pinch ICF design simulations
Energy Technology Data Exchange (ETDEWEB)
Lash, J.S.
1999-07-01
The dynamic hohlraum ICF concept for a Z-pinch driver utilizes the imploding wire array collision with a target to produce a radiation history suitable for driving an embedded inertial confinement fusion (ICF) capsule. This target may consist of various shaped layers of low-density foams or solid-density materials. The use of detailed radiation magneto-hydrodynamic (RMHD) modeling is required for understanding and designing these complex systems. Critical to producing credible simulations and designs is inclusion of the Rayleigh-Taylor unstable wire-array dynamics; the bubble and spike structure of the collapsing sheath may yield regions of low-opacity enhancing radiation loss as well as introduce non-uniformities in the capsule's radiation drive. Recent improvements in LASNEX have allowed significant progress to be made in the modeling of unstable z-pinch implosions. Combining this with the proven ICF capsule design capabilities of LASNEX, the authors now have the modeling tools to produce credible, fully-integrated ICF dynamic hohlraum simulations. They present detailed two-dimensional RMHD simulations of recent ICF dynamic hohlraum experiments on the Sandia Z-machine as well as design simulations for the next-generation Z-pinch facility and future high-yield facility.
Two-dimensional integrated Z-pinch ICF design simulations
International Nuclear Information System (INIS)
Lash, J.S.
1999-01-01
The dynamic hohlraum ICF concept for a Z-pinch driver utilizes the imploding wire array collision with a target to produce a radiation history suitable for driving an embedded inertial confinement fusion (ICF) capsule. This target may consist of various shaped layers of low-density foams or solid-density materials. The use of detailed radiation magneto-hydrodynamic (RMHD) modeling is required for understanding and designing these complex systems. Critical to producing credible simulations and designs is inclusion of the Rayleigh-Taylor unstable wire-array dynamics; the bubble and spike structure of the collapsing sheath may yield regions of low-opacity enhancing radiation loss as well as introduce non-uniformities in the capsule's radiation drive. Recent improvements in LASNEX have allowed significant progress to be made in the modeling of unstable z-pinch implosions. Combining this with the proven ICF capsule design capabilities of LASNEX, the authors now have the modeling tools to produce credible, fully-integrated ICF dynamic hohlraum simulations. They present detailed two-dimensional RMHD simulations of recent ICF dynamic hohlraum experiments on the Sandia Z-machine as well as design simulations for the next-generation Z-pinch facility and future high-yield facility
Finite-size scaling in two-dimensional superfluids
International Nuclear Information System (INIS)
Schultka, N.; Manousakis, E.
1994-01-01
Using the x-y model and a nonlocal updating scheme called cluster Monte Carlo, we calculate the superfluid density of a two-dimensional superfluid on large-size square lattices LxL up to 400x400. This technique allows us to approach temperatures close to the critical point, and by studying a wide range of L values and applying finite-size scaling theory we are able to extract the critical properties of the system. We calculate the superfluid density and from that we extract the renormalization-group beta function. We derive finite-size scaling expressions using the Kosterlitz-Thouless-Nelson renormalization group equations and show that they are in very good agreement with our numerical results. This allows us to extrapolate our results to the infinite-size limit. We also find that the universal discontinuity of the superfluid density at the critical temperature is in very good agreement with the Kosterlitz-Thouless-Nelson calculation and experiments
Noise-induced drift in two-dimensional anisotropic systems
Farago, Oded
2017-10-01
We study the isothermal Brownian dynamics of a particle in a system with spatially varying diffusivity. Due to the heterogeneity of the system, the particle's mean displacement does not vanish even if it does not experience any physical force. This phenomenon has been termed "noise-induced drift," and has been extensively studied for one-dimensional systems. Here, we examine the noise-induced drift in a two-dimensional anisotropic system, characterized by a symmetric diffusion tensor with unequal diagonal elements. A general expression for the mean displacement vector is derived and presented as a sum of two vectors, depicting two distinct drifting effects. The first vector describes the tendency of the particle to drift toward the high diffusivity side in each orthogonal principal diffusion direction. This is a generalization of the well-known expression for the noise-induced drift in one-dimensional systems. The second vector represents a novel drifting effect, not found in one-dimensional systems, originating from the spatial rotation in the directions of the principal axes. The validity of the derived expressions is verified by using Langevin dynamics simulations. As a specific example, we consider the relative diffusion of two transmembrane proteins, and demonstrate that the average distance between them increases at a surprisingly fast rate of several tens of micrometers per second.
The blind student’s interpretation of two-dimensional shapes in geometry
Andriyani; Budayasa, I. K.; Juniati, D.
2018-01-01
The blind student’s interpretation of two-dimensional shapes represents the blind student’s mental image of two-dimensional shapes that they can’t visualize directly, which is related to illustration of the characteristics and number of edges and angles. The objective of this research is to identify the blind student’s interpretation of two-dimensional shapes. This research was an exploratory study with qualitative approach. A subject of this research is a sixth-grade student who experiencing total blind from the fifth grade of elementary school. Researchers interviewed the subject about his interpretation of two-dimensional shapes according to his thinking.The findings of this study show the uniqueness of blind students, who have been totally blind since school age, in knowing and illustrating the characteristics of edges and angles of two-dimensional shapes by utilizing visual experiences that were previously obtained before the blind. The result can inspire teachers to design further learning for development of blind student geometry concepts.
Cosmic censorship principle in two-dimensional charged extreme black hole
Energy Technology Data Exchange (ETDEWEB)
Wang Bin; Ru Keng Su [Fudan Univ., Shanghai (China). Dept. of Physics; Cheung, T. [Hong Kong City Univ., Hong Kong (China). Dept. of Physics
1999-10-01
By constructing a gedanken experiment, the authors prove that the event horizon of a two-dimensional charged extreme black hole cannot be removed. Singularities are found to be formed on the horizon through analyzing the fate of Hawking partner and application of Helliwell-Konkowski conjecture. The cosmic censorship principle is well protected in this black hole.
2D NMR studies of biomolecules
International Nuclear Information System (INIS)
Lamerichs, R.M.J.N.
1989-01-01
The work described in this thesis comprises two related subjects. The first part describes methods to derive high-resolution structures of proteins in solution using two-dimensional (2-D) NMR. The second part describes 2-D NMR studies on the interaction between proteins and DNA. (author). 261 refs.; 52 figs.; 23 tabs
Non-Linear Non Stationary Analysis of Two-Dimensional Time-Series Applied to GRACE Data, Phase II
National Aeronautics and Space Administration — The proposed innovative two-dimensional (2D) empirical mode decomposition (EMD) analysis was applied to NASA's Gravity Recovery and Climate Experiment (GRACE)...
Traditional Semiconductors in the Two-Dimensional Limit.
Lucking, Michael C; Xie, Weiyu; Choe, Duk-Hyun; West, Damien; Lu, Toh-Ming; Zhang, S B
2018-02-23
Interest in two-dimensional materials has exploded in recent years. Not only are they studied due to their novel electronic properties, such as the emergent Dirac fermion in graphene, but also as a new paradigm in which stacking layers of distinct two-dimensional materials may enable different functionality or devices. Here, through first-principles theory, we reveal a large new class of two-dimensional materials which are derived from traditional III-V, II-VI, and I-VII semiconductors. It is found that in the ultrathin limit the great majority of traditional binary semiconductors studied (a series of 28 semiconductors) are not only kinetically stable in a two-dimensional double layer honeycomb structure, but more energetically stable than the truncated wurtzite or zinc-blende structures associated with three dimensional bulk. These findings both greatly increase the landscape of two-dimensional materials and also demonstrate that in the double layer honeycomb form, even ordinary semiconductors, such as GaAs, can exhibit exotic topological properties.
Two-dimensional analytic weighting functions for limb scattering
Zawada, D. J.; Bourassa, A. E.; Degenstein, D. A.
2017-10-01
Through the inversion of limb scatter measurements it is possible to obtain vertical profiles of trace species in the atmosphere. Many of these inversion methods require what is often referred to as weighting functions, or derivatives of the radiance with respect to concentrations of trace species in the atmosphere. Several radiative transfer models have implemented analytic methods to calculate weighting functions, alleviating the computational burden of traditional numerical perturbation methods. Here we describe the implementation of analytic two-dimensional weighting functions, where derivatives are calculated relative to atmospheric constituents in a two-dimensional grid of altitude and angle along the line of sight direction, in the SASKTRAN-HR radiative transfer model. Two-dimensional weighting functions are required for two-dimensional inversions of limb scatter measurements. Examples are presented where the analytic two-dimensional weighting functions are calculated with an underlying one-dimensional atmosphere. It is shown that the analytic weighting functions are more accurate than ones calculated with a single scatter approximation, and are orders of magnitude faster than a typical perturbation method. Evidence is presented that weighting functions for stratospheric aerosols calculated under a single scatter approximation may not be suitable for use in retrieval algorithms under solar backscatter conditions.
Modification of Brueschweiler quantum searching algorithm and realization by NMR experiment
International Nuclear Information System (INIS)
Yang Xiaodong; Wei Daxiu; Luo Jun; Miao Xijia
2002-01-01
In recent years, quantum computing research has made big progress, which exploit quantum mechanical laws, such as interference, superposition and parallelism, to perform computing tasks. The most inducing thing is that the quantum computing can provide large rise to the speedup in quantum algorithm. Quantum computing can solve some problems, which are impossible or difficult for the classical computing. The problem of searching for a specific item in an unsorted database can be solved with certain quantum algorithm, for example, Grover quantum algorithm and Brueschweiler quantum algorithm. The former gives a quadratic speedup, and the latter gives an exponential speedup comparing with the corresponding classical algorithm. In Brueschweiler quantum searching algorithm, the data qubit and the read-out qubit (the ancilla qubit) are different qubits. The authors have studied Brueschweiler algorithm and proposed a modified version, in which no ancilla qubit is needed to reach exponential speedup in the searching, the data and the read-out qubit are the same qubits. The modified Brueschweiler algorithm can be easier to design and realize. The authors also demonstrate the modified Brueschweiler algorithm in a 3-qubit molecular system by Nuclear Magnetic Resonance (NMR) experiment
TG/DTG, FT-ICR Mass Spectrometry, and NMR Spectroscopy Study of Heavy Fuel Oil
Elbaz, Ayman M.; Abdul Jameel, Abdul Gani; Hourani, Nadim; Emwas, Abdul-Hamid M.; Sarathy, Mani; Roberts, William L.
2015-01-01
infusion atmospheric pressure chemical ionization Fourier transform ion cyclotron resonance mass spectrometry (APCI-FTICR MS), high resolution 1H nuclear magnetic resonance (NMR), 13C NMR, and two-dimensional heteronuclear multiple bond correlation (HMBC
Dynamical class of a two-dimensional plasmonic Dirac system.
Silva, Érica de Mello
2015-10-01
A current goal in plasmonic science and technology is to figure out how to manage the relaxational dynamics of surface plasmons in graphene since its damping constitutes a hinder for the realization of graphene-based plasmonic devices. In this sense we believe it might be of interest to enlarge the knowledge on the dynamical class of two-dimensional plasmonic Dirac systems. According to the recurrence relations method, different systems are said to be dynamically equivalent if they have identical relaxation functions at all times, and such commonality may lead to deep connections between seemingly unrelated physical systems. We employ the recurrence relations approach to obtain relaxation and memory functions of density fluctuations and show that a two-dimensional plasmonic Dirac system at long wavelength and zero temperature belongs to the same dynamical class of standard two-dimensional electron gas and classical harmonic oscillator chain with an impurity mass.
Hamiltonian formalism of two-dimensional Vlasov kinetic equation.
Pavlov, Maxim V
2014-12-08
In this paper, the two-dimensional Benney system describing long wave propagation of a finite depth fluid motion and the multi-dimensional Russo-Smereka kinetic equation describing a bubbly flow are considered. The Hamiltonian approach established by J. Gibbons for the one-dimensional Vlasov kinetic equation is extended to a multi-dimensional case. A local Hamiltonian structure associated with the hydrodynamic lattice of moments derived by D. J. Benney is constructed. A relationship between this hydrodynamic lattice of moments and the two-dimensional Vlasov kinetic equation is found. In the two-dimensional case, a Hamiltonian hydrodynamic lattice for the Russo-Smereka kinetic model is constructed. Simple hydrodynamic reductions are presented.
Control Operator for the Two-Dimensional Energized Wave Equation
Directory of Open Access Journals (Sweden)
Sunday Augustus REJU
2006-07-01
Full Text Available This paper studies the analytical model for the construction of the two-dimensional Energized wave equation. The control operator is given in term of space and time t independent variables. The integral quadratic objective cost functional is subject to the constraint of two-dimensional Energized diffusion, Heat and a source. The operator that shall be obtained extends the Conjugate Gradient method (ECGM as developed by Hestenes et al (1952, [1]. The new operator enables the computation of the penalty cost, optimal controls and state trajectories of the two-dimensional energized wave equation when apply to the Conjugate Gradient methods in (Waziri & Reju, LEJPT & LJS, Issues 9, 2006, [2-4] to appear in this series.
Velocity and Dispersion for a Two-Dimensional Random Walk
International Nuclear Information System (INIS)
Li Jinghui
2009-01-01
In the paper, we consider the transport of a two-dimensional random walk. The velocity and the dispersion of this two-dimensional random walk are derived. It mainly show that: (i) by controlling the values of the transition rates, the direction of the random walk can be reversed; (ii) for some suitably selected transition rates, our two-dimensional random walk can be efficient in comparison with the one-dimensional random walk. Our work is motivated in part by the challenge to explain the unidirectional transport of motor proteins. When the motor proteins move at the turn points of their tracks (i.e., the cytoskeleton filaments and the DNA molecular tubes), some of our results in this paper can be used to deal with the problem. (general)
A Toolbox of Solid-State NMR Experiments for the Characterization of Soft Organic Nanomaterials
Straasø, Lasse Arnt
2016-02-02
Determining how organic molecules self-assemble into a solid material is a challenging and demanding task if a single crystal of the material cannot be produced. Solid-state NMR spectroscopy offers access to such molecular details via an appropriate selection of techniques. This report gives a selected overview of 1D and 2D solid-state NMR techniques for elucidating the structure of soft organic solids. We focus on how the solid-state NMR techniques are designed from the perspective of the different nuclear interactions, using average Hamiltonian theory and product operators. We also introduce recent methods for quantification and reduction of experimental artifacts. Finally, we highlight how the solid-state NMR techniques can be applied to soft organic materials by reviewing recent applications to semicrystalline polymers, π-conjugated polymers, natural silk, and graphene-related materials.
A Toolbox of Solid-State NMR Experiments for the Characterization of Soft Organic Nanomaterials
Straasø , Lasse Arnt; Saleem, Qasim; Hansen, Michael Ryan
2016-01-01
Determining how organic molecules self-assemble into a solid material is a challenging and demanding task if a single crystal of the material cannot be produced. Solid-state NMR spectroscopy offers access to such molecular details via an appropriate selection of techniques. This report gives a selected overview of 1D and 2D solid-state NMR techniques for elucidating the structure of soft organic solids. We focus on how the solid-state NMR techniques are designed from the perspective of the different nuclear interactions, using average Hamiltonian theory and product operators. We also introduce recent methods for quantification and reduction of experimental artifacts. Finally, we highlight how the solid-state NMR techniques can be applied to soft organic materials by reviewing recent applications to semicrystalline polymers, π-conjugated polymers, natural silk, and graphene-related materials.
Two-dimensional nonlinear equations of supersymmetric gauge theories
International Nuclear Information System (INIS)
Savel'ev, M.V.
1985-01-01
Supersymmetric generalization of two-dimensional nonlinear dynamical equations of gauge theories is presented. The nontrivial dynamics of a physical system in the supersymmetry and supergravity theories for (2+2)-dimensions is described by the integrable embeddings of Vsub(2/2) superspace into the flat enveloping superspace Rsub(N/M), supplied with the structure of a Lie superalgebra. An equation is derived which describes a supersymmetric generalization of the two-dimensional Toda lattice. It contains both super-Liouville and Sinh-Gordon equations
Spin dynamics in a two-dimensional quantum gas
DEFF Research Database (Denmark)
Pedersen, Poul Lindholm; Gajdacz, Miroslav; Deuretzbacher, Frank
2014-01-01
We have investigated spin dynamics in a two-dimensional quantum gas. Through spin-changing collisions, two clouds with opposite spin orientations are spontaneously created in a Bose-Einstein condensate. After ballistic expansion, both clouds acquire ring-shaped density distributions with superimp......We have investigated spin dynamics in a two-dimensional quantum gas. Through spin-changing collisions, two clouds with opposite spin orientations are spontaneously created in a Bose-Einstein condensate. After ballistic expansion, both clouds acquire ring-shaped density distributions...
Pair Interaction of Dislocations in Two-Dimensional Crystals
Eisenmann, C.; Gasser, U.; Keim, P.; Maret, G.; von Grünberg, H. H.
2005-10-01
The pair interaction between crystal dislocations is systematically explored by analyzing particle trajectories of two-dimensional colloidal crystals measured by video microscopy. The resulting pair energies are compared to Monte Carlo data and to predictions derived from the standard Hamiltonian of the elastic theory of dislocations. Good agreement is found with respect to the distance and temperature dependence of the interaction potential, but not regarding the angle dependence where discrete lattice effects become important. Our results on the whole confirm that the dislocation Hamiltonian allows a quantitative understanding of the formation and interaction energies of dislocations in two-dimensional crystals.
Two dimensional nonlinear spectral estimation techniques for breast cancer localization
International Nuclear Information System (INIS)
Stathaki, P.T.; Constantinides, A.G.
1994-01-01
In this paper the problem of image texture analysis in the presence of noise is examined from a higher-order statistical perspective. The approach taken involves the use of two dimensional second order Volterra filters where the filter weights are derived from third order cumulants of the two dimensional signal. The specific application contained in this contribution is in mammography, an area in which it is difficult to discern the appropriate features. The paper describes the fundamental issues of the various components of the approach. The results of the entire texture modelling, classification and segmentation scheme contained in this paper are very encouraging
Densis. Densimetric representation of two-dimensional matrices
International Nuclear Information System (INIS)
Los Arcos Merino, J.M.
1978-01-01
Densis is a Fortran V program which allows off-line control of a Calcomp digital plotter, to represent a two-dimensional matrix of numerical elements in the form of a variable shading intensity map in two colours. Each matrix element is associated to a square of a grid which is traced over by lines whose number is a function of the element value according to a selected scale. Program features, subroutine structure and running instructions, are described. Some typical results, for gamma-gamma coincidence experimental data and a sampled two-dimensional function, are indicated. (author)
Two-dimensional QCD in the Coulomb gauge
International Nuclear Information System (INIS)
Kalashnikova, Yu.S.; Nefed'ev, A.V.
2002-01-01
Various aspects of the 't Hooft model for two-dimensional QCD in the limit of infinite number of colours in the Coulomb gauge are discussed. The properties of mesonic excitations are studied, with special emphasis on the pion. Attention is paid to the dual role of the pion. which, while a genuine qq-bar state, is a Goldstone boson of two-dimensional QCD as well. In particular, the validity of the soft-pion theorems is demonstrated. It is shown that the Coulomb gauge is the most suitable choice for the study of hadronic observables involving pions [ru
Quantum Communication Through a Two-Dimensional Spin Network
International Nuclear Information System (INIS)
Wang Zhaoming; Gu Yongjian
2012-01-01
We investigate the state or entanglement transfer through a two-dimensional spin network. We show that for state transfer, better fidelity can be gained along the diagonal direction but for entanglement transfer, when the initial entanglement is created along the boundary, the concurrence is more inclined to propagate along the boundary. This behavior is produced by quantum mechanical interference and the communication quality depends on the precise size of the network. For some number of sites, the fidelity in a two-dimensional channel is higher than one-dimensional case. This is an important result for realizing quantum communication through high dimension spin chain networks.
Critical Behaviour of a Two-Dimensional Random Antiferromagnet
DEFF Research Database (Denmark)
Als-Nielsen, Jens Aage; Birgeneau, R. J.; Guggenheim, H. J.
1976-01-01
A neutron scattering study of the order parameter, correlation length and staggered susceptibility of the two-dimensional random antiferromagnet Rb2Mn0.5Ni0.5F4 is reported. The system is found to exhibit a well-defined phase transition with critical exponents identical to those of the isomorphou...... pure materials K2NiF4 and K2MnF4. Thus, in these systems, which have the asymptotic critical behaviour of the two-dimensional Ising model, randomness has no measurable effect on the phase-transition behaviour....
Two dimensional nonlinear spectral estimation techniques for breast cancer localization
Energy Technology Data Exchange (ETDEWEB)
Stathaki, P T; Constantinides, A G [Signal Processing Section, Department of Electrical and Electronic Engineering, Imperial College, Exhibition Road, London SW7 2BT, UK (United Kingdom)
1994-12-31
In this paper the problem of image texture analysis in the presence of noise is examined from a higher-order statistical perspective. The approach taken involves the use of two dimensional second order Volterra filters where the filter weights are derived from third order cumulants of the two dimensional signal. The specific application contained in this contribution is in mammography, an area in which it is difficult to discern the appropriate features. The paper describes the fundamental issues of the various components of the approach. The results of the entire texture modelling, classification and segmentation scheme contained in this paper are very encouraging. 7 refs, 2 figs.
Finite element solution of two dimensional time dependent heat equation
International Nuclear Information System (INIS)
Maaz
1999-01-01
A Microsoft Windows based computer code, named FHEAT, has been developed for solving two dimensional heat problems in Cartesian and Cylindrical geometries. The programming language is Microsoft Visual Basic 3.0. The code makes use of Finite element formulation for spatial domain and Finite difference formulation for time domain. Presently the code is capable of solving two dimensional steady state and transient problems in xy- and rz-geometries. The code is capable excepting both triangular and rectangular elements. Validation and benchmarking was done against hand calculations and published results. (author)
Chaotic dynamics in two-dimensional noninvertible maps
Mira, Christian; Cathala, Jean-Claude; Gardini, Laura
1996-01-01
This book is essentially devoted to complex properties (Phase plane structure and bifurcations) of two-dimensional noninvertible maps, i.e. maps having either a non-unique inverse, or no real inverse, according to the plane point. They constitute models of sets of discrete dynamical systems encountered in Engineering (Control, Signal Processing, Electronics), Physics, Economics, Life Sciences. Compared to the studies made in the one-dimensional case, the two-dimensional situation remained a long time in an underdeveloped state. It is only since these last years that the interest for this resea
Chiral anomaly, fermionic determinant and two dimensional models
International Nuclear Information System (INIS)
Rego Monteiro, M.A. do.
1985-01-01
The chiral anomaly in random pair dimension is analysed. This anomaly is perturbatively calculated by dimensional regularization method. A new method for non-perturbative Jacobian calculation of a general chiral transformation, 1.e., finite and non-Abelian, is developed. This method is used for non-perturbative chiral anomaly calculation, as an alternative to bosonization of two-dimensional theories for massless fermions and to study the phenomenum of fermion number fractionalization. The fermionic determinant from two-dimensional quantum chromodynamics is also studied, and calculated, exactly, as in decoupling gauge as with out reference to a particular gauge. (M.C.K.) [pt
Two-dimensional model of a freely expanding plasma
International Nuclear Information System (INIS)
Khalid, Q.
1975-01-01
The free expansion of an initially confined plasma is studied by the computer experiment technique. The research is an extension to two dimensions of earlier work on the free expansion of a collisionless plasma in one dimension. In the two-dimensional rod model, developed in this research, the plasma particles, electrons and ions are modeled as infinitely long line charges or rods. The line charges move freely in two dimensions normal to their parallel axes, subject only to a self-consistent electric field. Two approximations, the grid approximation and the periodic boundary condition are made in order to reduce the computation time. In the grid approximation, the space occupied by the plasma at a given time is divided into boxes. The particles are subject to an average electric field calculated for that box assuming that the total charge within each box is located at the center of the box. However, the motion of each particle is exactly followed. The periodic boundary condition allows us to consider only one-fourth of the total number of particles of the plasma, representing the remaining three-fourths of the particles as symmetrically placed images of those whose positions are calculated. This approximation follows from the expected azimuthal symmetry of the plasma. The dynamics of the expansion are analyzed in terms of average ion and electron positions, average velocities, oscillation frequencies and relative distribution of energy between thermal, flow and electric field energies. Comparison is made with previous calculations of one-dimensional models which employed plane, spherical or cylindrical sheets as charged particles. In order to analyze the effect of the grid approximation, the model is solved for two different grid sizes and for each grid size the plasma dynamics is determined. For the initial phase of expansion, the agreement for the two grid sizes is found to be good
International Nuclear Information System (INIS)
Schubert, Mario; Labudde, Dirk; Leitner, Dietmar; Oschkinat, Hartmut; Schmieder, Peter
2005-01-01
The determination of the three-dimensional structure of a protein or the study of protein-ligand interactions requires the assignment of all relevant nuclei as an initial step. This is nowadays almost exclusively performed using triple-resonance experiments. The conventional strategy utilizes one or more pairs of three dimensional spectra to obtain redundant information and thus reliable assignments. Here, a modified strategy for obtaining sequence specific assignments based on two dimensional amino acid type selective triple-resonance experiments is proposed. These experiments can be recorded with good resolution in a relatively short time. They provide very specific and redundant information, in particular on sequential connectivities, that drastically increases the ease and reliability of the assignment procedure, done either manually or in an automated fashion. The new strategy is demonstrated with the protein domain PB1 from yeast CDC24p
Monteilhet, L; Korb, J-P; Mitchell, J; McDonald, P J
2006-12-01
The first detailed analysis of the two-dimensional (2D) NMR T(2)-T(2) exchange experiment with a period of magnetization storage between the two T(2) relaxation encoding periods (T(2)-store-T(2)) is presented. It is shown that this experiment has certain advantages over the T(1)-T(2) variant for the quantization of chemical exchange. New T(2)-store-T(2) 2D 1H NMR spectra of the pore water within white cement paste are presented. Based on these spectra, the exchange rate of water between the two smallest porosity reservoirs is estimated for the first time. It is found to be of the order of 5 ms{-1}. Further, a careful estimate of the pore sizes of these reservoirs is made. They are found to be of the order of 1.4 nm and 10-30 nm , respectively. A discussion of the results is developed in terms of possible calcium silicate hydrate products. A water diffusion coefficient inferred from the exchange rate and the cement particle size is found to compare favorably with the results of molecular-dynamics simulations to be found in the literature.
Nuclear spin-magnon relaxation in two-dimensional Heisenberg antiferromagnets
International Nuclear Information System (INIS)
Wal, A.J. van der.
1979-01-01
Experiments are discussed of the dependence on temperature and magnetic field of the longitudinal relaxation time of single crystals of antiferromagnetically ordered insulators, i.e. in the temperature range below the Neel temperature and in fields up to the spin-flop transition. The experiments are done on 19 F nuclei in the Heisenberg antiferromagnets K 2 MnF 4 and K 2 NiF 4 , the magnetic structure of which is two-dimensional quadratic. (C.F.)
Packaging consideration of two-dimensional polymer-based photonic crystals for laser beam steering
Dou, Xinyuan; Chen, Xiaonan; Chen, Maggie Yihong; Wang, Alan Xiaolong; Jiang, Wei; Chen, Ray T.
2009-02-01
In this paper, we report the theoretical study of polymer-based photonic crystals for laser beam steering which is based on the superprism effect as well as the experiment fabrication of the two dimensional photonic crystals for the laser beam steering. Superprism effect, the principle for beam steering, was separately studied in details through EFC (Equifrequency Contour) analysis. Polymer based photonic crystals were fabricated through double exposure holographic interference method using SU8-2007. The experiment results were also reported.
Level crossings in complex two-dimensional potentials
Indian Academy of Sciences (India)
Two-dimensional P T -symmetric quantum-mechanical systems with the complex cubic potential 12 = 2 + 2 + 2 and the complex Hénon–Heiles potential HH = 2 + 2 + (2 − 3/3) are investigated. Using numerical and perturbative methods, energy spectra are obtained to high levels. Although both ...
Zero sound in a two-dimensional dipolar Fermi gas
Lu, Z.K.; Matveenko, S.I.; Shlyapnikov, G.V.
2013-01-01
We study zero sound in a weakly interacting two-dimensional (2D) gas of single-component fermionic dipoles (polar molecules or atoms with a large magnetic moment) tilted with respect to the plane of their translational motion. It is shown that the propagation of zero sound is provided by both
Interior design of a two-dimensional semiclassical black hole
Levanony, Dana; Ori, Amos
2009-10-01
We look into the inner structure of a two-dimensional dilatonic evaporating black hole. We establish and employ the homogenous approximation for the black-hole interior. Two kinds of spacelike singularities are found inside the black hole, and their structure is investigated. We also study the evolution of spacetime from the horizon to the singularity.
On final states of two-dimensional decaying turbulence
Yin, Z.
2004-01-01
Numerical and analytical studies of final states of two-dimensional (2D) decaying turbulence are carried out. The first part of this work is trying to give a definition for final states of 2D decaying turbulence. The functional relation of ¿-¿, which is frequently adopted as the characterization of
Vibrations of thin piezoelectric shallow shells: Two-dimensional ...
Indian Academy of Sciences (India)
R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22
In this paper we consider the eigenvalue problem for piezoelectric shallow shells and we show that, as the thickness of the shell goes to zero, the eigensolutions of the three-dimensional piezoelectric shells converge to the eigensolutions of a two- dimensional eigenvalue problem. Keywords. Vibrations; piezoelectricity ...
Inter-layer Cooper pairing of two-dimensional electrons
International Nuclear Information System (INIS)
Inoue, Masahiro; Takemori, Tadashi; Yoshizaki, Ryozo; Sakudo, Tunetaro; Ohtaka, Kazuo
1987-01-01
The authors point out the possibility that the high transition temperatures of the recently discovered oxide superconductors are dominantly caused by the inter-layer Cooper pairing of two-dimensional electrons that are coupled through the exchange of three-dimensional phonons. (author)
Solitary wave solutions of two-dimensional nonlinear Kadomtsev ...
Indian Academy of Sciences (India)
Aly R Seadawy
2017-09-13
Sep 13, 2017 ... We considered the two-dimensional DASWs in colli- sionless, unmagnetized cold plasma consisting of dust fluid, ions and electrons. The dynamics of DASWs is governed by the normalized fluid equations of nonlin- ear continuity (1), nonlinear motion of system (2) and. (3) and linear Poisson equation (4) as.
Two-dimensional generalized harmonic oscillators and their Darboux partners
International Nuclear Information System (INIS)
Schulze-Halberg, Axel
2011-01-01
We construct two-dimensional Darboux partners of the shifted harmonic oscillator potential and of an isotonic oscillator potential belonging to the Smorodinsky–Winternitz class of superintegrable systems. The transformed solutions, their potentials and the corresponding discrete energy spectra are computed in explicit form. (paper)
First principles calculation of two dimensional antimony and antimony arsenide
Energy Technology Data Exchange (ETDEWEB)
Pillai, Sharad Babu, E-mail: sbpillai001@gmail.com; Narayan, Som; Jha, Prafulla K. [Department. of Physics, Faculty of Science, The M. S. University of Baroda, Vadodara-390002 (India); Dabhi, Shweta D. [Department of Physics, Maharaja Krishnakumarsinhji Bhavnagar University, Bhavnagar-364001 (India)
2016-05-23
This work focuses on the strain dependence of the electronic properties of two dimensional antimony (Sb) material and its alloy with As (SbAs) using density functional theory based first principles calculations. Both systems show indirect bandgap semiconducting character which can be transformed into a direct bandgap material with the application of relatively small strain.
Two-dimensional models in statistical mechanics and field theory
International Nuclear Information System (INIS)
Koberle, R.
1980-01-01
Several features of two-dimensional models in statistical mechanics and Field theory, such as, lattice quantum chromodynamics, Z(N), Gross-Neveu and CP N-1 are discussed. The problems of confinement and dynamical mass generation are also analyzed. (L.C.) [pt
Theory of the one- and two-dimensional electron gas
International Nuclear Information System (INIS)
Emery, V.J.
1987-01-01
Two topics are discussed: (1) the competition between 2k/sub F/ and 4k/sub F/ charge state waves in a one-dimensional electron gas and (2) a two-dimensional model of high T/sub c/ superconductivity in the oxides
Two-dimensional turbulent flows on a bounded domain
Kramer, W.
2006-01-01
Large-scale flows in the oceans and the atmosphere reveal strong similarities with purely two-dimensional flows. One of the most typical features is the cascade of energy from smaller flow scales towards larger scales. This is opposed to three-dimensional turbulence where larger flow structures
Exterior calculus and two-dimensional supersymmetric models
International Nuclear Information System (INIS)
Sciuto, S.
1980-01-01
An important property of the calculus of differential forms on superspace is pointed out, and an economical way to treat the linear problem associated with certain supersymmetric two-dimensional models is discussed. A generalization of the super sine-Gordon model is proposed; its bosonic limit is a new model whose associate linear set has an SU(3) structure. (orig.)
Second invariant for two-dimensional classical super systems
Indian Academy of Sciences (India)
Construction of superpotentials for two-dimensional classical super systems (for N. 2) is carried ... extensively used for the case of non-linear partial differential equation by various authors. [3,4–7,12 ..... found to be integrable just by accident.
Quantitative optical mapping of two-dimensional materials
DEFF Research Database (Denmark)
Jessen, Bjarke S.; Whelan, Patrick R.; Mackenzie, David M. A.
2018-01-01
The pace of two-dimensional materials (2DM) research has been greatly accelerated by the ability to identify exfoliated thicknesses down to a monolayer from their optical contrast. Since this process requires time-consuming and error-prone manual assignment to avoid false-positives from image...
Temperature maxima in stable two-dimensional shock waves
International Nuclear Information System (INIS)
Kum, O.; Hoover, W.G.; Hoover, C.G.
1997-01-01
We use molecular dynamics to study the structure of moderately strong shock waves in dense two-dimensional fluids, using Lucy pair potential. The stationary profiles show relatively broad temperature maxima, for both the longitudinal and the average kinetic temperatures, just as does Mott-Smith model for strong shock waves in dilute three-dimensional gases. copyright 1997 The American Physical Society
Two-dimensional molecular line transfer for a cometary coma
Szutowicz, S.
2017-09-01
In the proposed axisymmetric model of the cometary coma the gas density profile is described by an angular density function. Three methods for treating two-dimensional radiative transfer are compared: the Large Velocity Gradient (LVG) (the Sobolev method), Accelerated Lambda Iteration (ALI) and accelerated Monte Carlo (MC).
Sub-Nanometer Channels Embedded in Two-Dimensional Materials
Han, Yimo; Li, Ming-yang; Jung, Gang-Seob; Marsalis, Mark A.; Qin, Zhao; Buehler, Markus J.; Li, Lain-Jong; Muller, David A.
2017-01-01
Two-dimensional (2D) materials are among the most promising candidates for next-generation electronics due to their atomic thinness, allowing for flexible transparent electronics and ultimate length scaling1. Thus far, atomically-thin p-n junctions2
Complex dynamical invariants for two-dimensional complex potentials
Indian Academy of Sciences (India)
Abstract. Complex dynamical invariants are searched out for two-dimensional complex poten- tials using rationalization method within the framework of an extended complex phase space characterized by x = x1 + ip3, y = x2 + ip4, px = p1 + ix3, py = p2 + ix4. It is found that the cubic oscillator and shifted harmonic oscillator ...
Coherent Electron Focussing in a Two-Dimensional Electron Gas.
Houten, H. van; Wees, B.J. van; Mooij, J.E.; Beenakker, C.W.J.; Williamson, J.G.; Foxon, C.T.
1988-01-01
The first experimental realization of ballistic point contacts in a two-dimensional electron gas for the study of transverse electron focussing by a magnetic field is reported. Multiple peaks associated with skipping orbits of electrons reflected specularly by the channel boundary are observed. At
Two-dimensional ion effects in relativistic diodes
International Nuclear Information System (INIS)
Poukey, J.W.
1975-01-01
In relativistic diodes, ions are emitted from the anode plasma. The effects and properties of these ions are studied via a two-dimensional particle simulation code. The space charge of these ions enhances the electron emission, and this additional current (including that of the ions, themselves) aids in obtaining superpinched electron beams for use in pellet fusion studies. (U.S.)
Bounds on the capacity of constrained two-dimensional codes
DEFF Research Database (Denmark)
Forchhammer, Søren; Justesen, Jørn
2000-01-01
Bounds on the capacity of constrained two-dimensional (2-D) codes are presented. The bounds of Calkin and Wilf apply to first-order symmetric constraints. The bounds are generalized in a weaker form to higher order and nonsymmetric constraints. Results are given for constraints specified by run-l...
Interior design of a two-dimensional semiclassical black hole
International Nuclear Information System (INIS)
Levanony, Dana; Ori, Amos
2009-01-01
We look into the inner structure of a two-dimensional dilatonic evaporating black hole. We establish and employ the homogenous approximation for the black-hole interior. Two kinds of spacelike singularities are found inside the black hole, and their structure is investigated. We also study the evolution of spacetime from the horizon to the singularity.
Two-dimensional profiling of Xanthomonas campestris pv. viticola ...
African Journals Online (AJOL)
However, the analysis of the 2D-PAGE gel images revealed a larger number of spots in the lysis method when compared to the others. Taking ... Keywords: Bacterial canker, Vitis vinifera, proteomics, sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE), two-dimensional gel electrophoresis (2D-PAGE).
Mass relations for two-dimensional classical configurations
International Nuclear Information System (INIS)
Tataru-Mihai, P.
1980-01-01
Using the two-dimensional sigma-nonlinear models as a framework mass relations for classical configurations of instanton/soliton type are derived. Our results suggest an interesting differential-geometric interpretation of the mass of a classical configuration in terms of the topological characteristics of an associated manifold. (orig.)
Seismically constrained two-dimensional crustal thermal structure of ...
Indian Academy of Sciences (India)
The temperature field within the crust is closely related to tectonic history as well as many other geological processes inside the earth. Therefore, knowledge of the crustal thermal structure of a region is of great importance for its tectonophysical studies. This work deals with the two-dimensional thermal modelling to ...
Waiting Time Dynamics in Two-Dimensional Infrared Spectroscopy
Jansen, Thomas L. C.; Knoester, Jasper
We review recent work on the waiting time dynamics of coherent two-dimensional infrared (2DIR) spectroscopy. This dynamics can reveal chemical and physical processes that take place on the femto- and picosecond time scale, which is faster than the time scale that may be probed by, for example,
Two-dimensional effects in nonlinear Kronig-Penney models
DEFF Research Database (Denmark)
Gaididei, Yuri Borisovich; Christiansen, Peter Leth; Rasmussen, Kim
1997-01-01
An analysis of two-dimensional (2D) effects in the nonlinear Kronig-Penney model is presented. We establish an effective one-dimensional description of the 2D effects, resulting in a set of pseudodifferential equations. The stationary states of the 2D system and their stability is studied...
Two-dimensional position sensitive Si(Li) detector
International Nuclear Information System (INIS)
Walton, J.T.; Hubbard, G.S.; Haller, E.E.; Sommer, H.A.
1978-11-01
Circular, large-area two-dimensional Si(Li) position sensitive detectors have been fabricated. The detectors employ a thin lithium-diffused n + resisitive layer for one contact and a boron implanted p + resistive layer for the second contact. A position resolution of the order of 100 μm is indicated
A TWO-DIMENSIONAL POSITION SENSITIVE SI(LI) DETECTOR
Energy Technology Data Exchange (ETDEWEB)
Walton, Jack T.; Hubbard, G. Scott; Haller, Eugene E.; Sommer, Heinrich A.
1978-11-01
Circular, large-area two-dimensional Si(Li) position sensitive detectors have been fabricated. The detectors employ a thin lithium-diffused n{sup +} resistive layer for one contact and a boron implanted p{sup +} resistive layer for the second contact. A position resolution of the order of 100 {micro}m is indicated.
Solar Internal Rotation and Dynamo Waves: A Two Dimensional ...
Indian Academy of Sciences (India)
tribpo
Solar Internal Rotation and Dynamo Waves: A Two Dimensional. Asymptotic Solution in the Convection Zone ... We calculate here a spatial 2 D structure of the mean magnetic field, adopting real profiles of the solar internal ... of the asymptotic solution in low (middle) and high (right panel) latitudes. field is shifted towards the ...
Linkage analysis by two-dimensional DNA typing
te Meerman, G J; Mullaart, E; Meulen ,van der Martin; den Daas, J H; Morolli, B; Uitterlinden, A G; Vijg, J
1993-01-01
In two-dimensional (2-D) DNA typing, genomic DNA fragments are separated, first according to size by electrophoresis in a neutral polyacrylamide gel and second according to sequence by denaturing gradient gel electrophoresis, followed by hybridization analysis using micro- and minisatellite core
Proximity Induced Superconducting Properties in One and Two Dimensional Semiconductors
DEFF Research Database (Denmark)
Kjærgaard, Morten
This report is concerned with the properties of one and two dimensional semiconducting materials when brought into contact with a superconductor. Experimentally we study the 2D electron gas in an InGaAs/InAs heterostructure with aluminum grown in situ on the surface, and theoretically we show tha...
Two-Dimensional Charge Transport in Disordered Organic Semiconductors
Brondijk, J. J.; Roelofs, W. S. C.; Mathijssen, S. G. J.; Shehu, A.; Cramer, T.; Biscarini, F.; Blom, P. W. M.; de Leeuw, D. M.
2012-01-01
We analyze the effect of carrier confinement on the charge-transport properties of organic field-effect transistors. Confinement is achieved experimentally by the use of semiconductors of which the active layer is only one molecule thick. The two-dimensional confinement of charge carriers provides
Noninteracting beams of ballistic two-dimensional electrons
International Nuclear Information System (INIS)
Spector, J.; Stormer, H.L.; Baldwin, K.W.; Pfeiffer, L.N.; West, K.W.
1991-01-01
We demonstrate that two beams of two-dimensional ballistic electrons in a GaAs-AlGaAs heterostructure can penetrate each other with negligible mutual interaction analogous to the penetration of two optical beams. This allows electrical signal channels to intersect in the same plane with negligible crosstalk between the channels
Two-dimensional dissipation in third sound resonance
International Nuclear Information System (INIS)
Buck, A.L.; Mochel, J.M.; Illinois Univ., Urbana
1981-01-01
The first determination of non-linear superflow dissipation in a truly two-dimensional helium film is reported. Superfluid velocities were measured using third sound resonance on a closed superfluid film. The predicted power law dissipation function, with exponent of approximately eight, is observed at three temperatures in a film of 0.58 mobile superfluid layers. (orig.)
Graphene: a promising two-dimensional support for heterogeneous catalysts
Directory of Open Access Journals (Sweden)
Xiaobin eFan
2015-01-01
Full Text Available Graphene has many advantages that make it an attractive two-dimensional (2D support for heterogeneous catalysts. It not only allows the high loading of targeted catalytic species, but also facilitates the mass transfer during the reaction processes. These advantages, along with its unique physical and chemical properties, endow graphene great potential as catalyst support in heterogeneous catalysis.
Two-dimensional interpolation with experimental data smoothing
International Nuclear Information System (INIS)
Trejbal, Z.
1989-01-01
A method of two-dimensional interpolation with smoothing of time statistically deflected points is developed for processing of magnetic field measurements at the U-120M field measurements at the U-120M cyclotron. Mathematical statement of initial requirements and the final result of relevant algebraic transformations are given. 3 refs
Tunneling between parallel two-dimensional electron liquids
Czech Academy of Sciences Publication Activity Database
Jungwirth, Tomáš; MacDonald, A. H.
361/362, - (1996), s. 167-170 ISSN 0039-6028. [International Conference on the Electronic Properties of Two Dimensional Systems /11./. Nottingham, 07.08.1995-11.08.1995] R&D Projects: GA ČR GA202/94/1278 Grant - others:INT(XX) 9106888 Impact factor: 2.783, year: 1996
Influence of index contrast in two dimensional photonic crystal lasers
DEFF Research Database (Denmark)
Jørgensen, Mette Marie; Petersen, Sidsel Rübner; Christiansen, Mads Brøkner
2010-01-01
The influence of index contrast variations for obtaining single-mode operation and low threshold in dye doped polymer two dimensional photonic crystal (PhC) lasers is investigated. We consider lasers made from Pyrromethene 597 doped Ormocore imprinted with a rectangular lattice PhC having a cavity...
Two-Dimensional Tellurene as Excellent Thermoelectric Material
Sharma, Sitansh; Singh, Nirpendra; Schwingenschlö gl, Udo
2018-01-01
We study the thermoelectric properties of two-dimensional tellurene by first-principles calculations and semiclassical Boltzmann transport theory. The HSE06 hybrid functional results in a moderate direct band gap of 1.48 eV at the Γ point. A high
Analysis of Two-Dimensional Electrophoresis Gel Images
DEFF Research Database (Denmark)
Pedersen, Lars
2002-01-01
This thesis describes and proposes solutions to some of the currently most important problems in pattern recognition and image analysis of two-dimensional gel electrophoresis (2DGE) images. 2DGE is the leading technique to separate individual proteins in biological samples with many biological...
Patched Green's function techniques for two-dimensional systems
DEFF Research Database (Denmark)
Settnes, Mikkel; Power, Stephen; Lin, Jun
2015-01-01
We present a numerically efficient technique to evaluate the Green's function for extended two-dimensional systems without relying on periodic boundary conditions. Different regions of interest, or “patches,” are connected using self-energy terms which encode the information of the extended parts...
Nonlinear dynamic characterization of two-dimensional materials
Davidovikj, D.; Alijani, F.; Cartamil Bueno, S.J.; van der Zant, H.S.J.; Amabili, M.; Steeneken, P.G.
2017-01-01
Owing to their atomic-scale thickness, the resonances of two-dimensional (2D) material membranes show signatures of nonlinearities at forces of only a few picoNewtons. Although the linear dynamics of membranes is well understood, the exact relation between the nonlinear response and the resonator's
Transient two-dimensional flow in porous media
International Nuclear Information System (INIS)
Sharpe, L. Jr.
1979-01-01
The transient flow of an isothermal ideal gas from the cavity formed by an underground nuclear explosion is investigated. A two-dimensional finite element method is used in analyzing the gas flow. Numerical results of the pressure distribution are obtained for both the stemming column and the surrounding porous media
Two-dimensional QCD as a model for strong interaction
International Nuclear Information System (INIS)
Ellis, J.
1977-01-01
After an introduction to the formalism of two-dimensional QCD, its applications to various strong interaction processes are reviewed. Among the topics discussed are spectroscopy, deep inelastic cross-sections, ''hard'' processes involving hadrons, ''Regge'' behaviour, the existence of the Pomeron, and inclusive hadron cross-sections. Attempts are made to abstracts features useful for four-dimensional QCD phenomenology. (author)
Two-dimensional gel electrophoresis analysis of different parts of ...
African Journals Online (AJOL)
Two-dimensional gel electrophoresis analysis of different parts of Panax quinquefolius L. root. ... From these results it was concluded that proteomic analysis method was an effective way to identify the different parts of quinquefolius L. root. These findings may contribute to further understanding of the physiological ...
Two-dimensional optimization of free-electron-laser designs
Prosnitz, D.; Haas, R.A.
1982-05-04
Off-axis, two-dimensional designs for free electron lasers are described that maintain correspondence of a light beam with a synchronous electron at an optimal transverse radius r > 0 to achieve increased beam trapping efficiency and enhanced laser beam wavefront control so as to decrease optical beam diffraction and other deleterious effects.
Kubo conductivity of a strongly magnetized two-dimensional plasma.
Montgomery, D.; Tappert, F.
1971-01-01
The Kubo formula is used to evaluate the bulk electrical conductivity of a two-dimensional guiding-center plasma in a strong dc magnetic field. The particles interact only electrostatically. An ?anomalous' electrical conductivity is derived for this system, which parallels a recent result of Taylor and McNamara for the coefficient of spatial diffusion.
Bayesian approach for peak detection in two-dimensional chromatography
Vivó-Truyols, G.
2012-01-01
A new method for peak detection in two-dimensional chromatography is presented. In a first step, the method starts with a conventional one-dimensional peak detection algorithm to detect modulated peaks. In a second step, a sophisticated algorithm is constructed to decide which of the individual
Equilibrium spherically curved two-dimensional Lennard-Jones systems
Voogd, J.M.; Sloot, P.M.A.; van Dantzig, R.
2005-01-01
To learn about basic aspects of nano-scale spherical molecular shells during their formation, spherically curved two-dimensional N-particle Lennard-Jones systems are simulated, studying curvature evolution paths at zero-temperature. For many N-values (N < 800) equilibrium configu- rations are traced
Giant 1/f noise in two-dimensional polycrystalline media
International Nuclear Information System (INIS)
Snarskii, A.; Bezsudnov, I.
2008-01-01
The behaviour of excess (1/f noise) in two-dimensional polycrystalline media is investigated. On the base of current trap model, it is shown that there exists a certain anisotropy value of conductivity tensor for polycrystalline media when the amplitude of 1/f noise becomes giant
A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments.
Dona, Anthony C; Kyriakides, Michael; Scott, Flora; Shephard, Elizabeth A; Varshavi, Dorsa; Veselkov, Kirill; Everett, Jeremy R
2016-01-01
Metabonomics/metabolomics is an important science for the understanding of biological systems and the prediction of their behaviour, through the profiling of metabolites. Two technologies are routinely used in order to analyse metabolite profiles in biological fluids: nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS), the latter typically with hyphenation to a chromatography system such as liquid chromatography (LC), in a configuration known as LC-MS. With both NMR and MS-based detection technologies, the identification of the metabolites in the biological sample remains a significant obstacle and bottleneck. This article provides guidance on methods for metabolite identification in biological fluids using NMR spectroscopy, and is illustrated with examples from recent studies on mice.
A guide to the identification of metabolites in NMR-based metabonomics/metabolomics experiments
Directory of Open Access Journals (Sweden)
Anthony C. Dona
2016-01-01
Full Text Available Metabonomics/metabolomics is an important science for the understanding of biological systems and the prediction of their behaviour, through the profiling of metabolites. Two technologies are routinely used in order to analyse metabolite profiles in biological fluids: nuclear magnetic resonance (NMR spectroscopy and mass spectrometry (MS, the latter typically with hyphenation to a chromatography system such as liquid chromatography (LC, in a configuration known as LC–MS. With both NMR and MS-based detection technologies, the identification of the metabolites in the biological sample remains a significant obstacle and bottleneck. This article provides guidance on methods for metabolite identification in biological fluids using NMR spectroscopy, and is illustrated with examples from recent studies on mice.
International Nuclear Information System (INIS)
Kam, M.; Shafer, R.H.; Berman, E.
1988-01-01
A conformational analysis and a complete assignment of the nonexchangeable proton resonances of chromomycin A 3 , dechromose-A chromomycin A 3 , and deacetylchromose-B chromomycin A 3 were carried out in organic solvents. The resulting conformation in methanol has the three side chains of chromomycin A 3 fully extended, away from one another and from the aglycon. In dichloromethane on the other hand, the drug was shown to adopt a highly compact conformation in which most of the 26 oxygen atoms in the molecule point out toward the solvent. The two carbohydrate side chains extend parallel to each other on the same side of the aglycon. Two intramolecular nuclear Overhauser enhancement contacts have been observed between different sugar units on these side chains, indicating close proximity for these moieties. In addition, the aliphatic side chain is folded toward the aglycon, parallel to the two oligosaccharide side chains. The overall conformation has a wedge-like shape with the two phenoxy groups exposed at the pointed edge. The presence of some exchange cross-peaks in the NOESY spectra suggests the presence of intramolecular hydrogen bonds that probably help to maintain the compact information. The derivatives of chromomycin A 3 have qualitatively similar conformations, though their respective conformations are not as compact as the parent drug. The significance of these results is discussed in terms of a model of chromomycin A 3 binding to DNA in the major groove
International Nuclear Information System (INIS)
Sanchez, Richard.
1980-11-01
This work is divided into two parts: the first part deals with the solution of complex two-dimensional transport problems, the second one (note CEA-N-2166) treats the critically mixed methods of resolution. A set of approximate solutions for the isotropic two-dimensional neutron transport problem has been developed using the interface current formalism. The method has been applied to regular lattices of rectangular cells containing a fuel pin, cladding, and water, or homogenized structural material. The cells are divided into zones that are homogeneous. A zone-wise flux expansion is used to formulate a direct collision probability problem within a cell. The coupling of the cells is effected by making extra assumptions on the currents entering and leaving the interfaces. Two codes have been written: CALLIOPE uses a cylindrical cell model and one or three terms for the flux expansion, and NAUSICAA uses a two-dimensional flux representation and does a truly two-dimensional calculation inside each cell. In both codes, one or three terms can be used to make a space-independent expansion of the angular fluxes entering and leaving each side of the cell. The accuracies and computing times achieved with the different approximations are illustrated by numerical studies on two benchmark problems and by calculations performed in the APOLLO multigroup code [fr
NMRKIN: Simulating line shapes from two-dimensional spectra of proteins upon ligand binding
International Nuclear Information System (INIS)
Guenther, Ulrich L.; Schaffhausen, Brian
2002-01-01
The analysis of the shape of signals in NMR spectra is a powerful tool to study exchange and reaction kinetics. Line shapes in two-dimensional spectra of proteins recorded for titrations with ligands provide information about binding rates observed at individual residues. Here we describe a fast method to simulate a series of line shapes derived from two-dimensional spectra of a protein during a ligand titration. This procedure, which takes the mutual effects of two dimensions into account, has been implemented in MATLAB as an add-on to NMRLab (Guenther et al., 2000). In addition, more complex kinetic models, including sequential and parallel reactions, were simulated to demonstrate common features of more complex line shapes which could be encountered in protein-ligand interactions. As an example of this method, we describe its application to line shapes obtained for a titration of the p85 N-SH2 domain of PI3-kinase with a peptide derived from polyomavirus middle T antigen (MT)
Growth and electronic properties of two-dimensional systems on (110) oriented GaAs
Energy Technology Data Exchange (ETDEWEB)
Fischer, F.
2005-07-01
As the only non-polar plane the (110) surface has a unique role in GaAs. Together with Silicon as a dopant it is an important substrate orientation for the growth of n-type or p-type heterostructures. As a consequence, this thesis will concentrate on growth and research on that surface. In the course of this work we were able to realize two-dimensional electron systems with the highest mobilities reported so far on this orientation. Therefore, we review the necessary growth conditions and the accompanying molecular process. The two-dimensional electron systems allowed the study of a new, intriguing transport anisotropy not explained by current theory. Moreover, we were the first growing a two-dimensional hole gas on (110) GaAs with Si as dopant. For this purpose we invented a new growth modulation technique necessary to retrieve high mobility systems. In addition, we discovered and studied the metal-insulator transition in thin bulk p-type layers on (110) GaAs. Besides we investigated the activation process related to the conduction in the valence band and a parallelly conducting hopping band. The new two-dimensional hole gases revealed interesting physics. We studied the zero B-field spin splitting in these systems and compared it with the known theory. Furthermore, we investigated the anisotropy of the mobility. As opposed to the expectations we observed a strong persistent photoconductivity in our samples. Landau levels for two dimensional hole systems are non-linear and can show anticrossings. For the first time we were able to resolve anticrossings in a transport experiment and study the corresponding activation process. Finally, we compared these striking results with theoretical calculations. (orig.)
Two dimensional analytical model for a reconfigurable field effect transistor
Ranjith, R.; Jayachandran, Remya; Suja, K. J.; Komaragiri, Rama S.
2018-02-01
This paper presents two-dimensional potential and current models for a reconfigurable field effect transistor (RFET). Two potential models which describe subthreshold and above-threshold channel potentials are developed by solving two-dimensional (2D) Poisson's equation. In the first potential model, 2D Poisson's equation is solved by considering constant/zero charge density in the channel region of the device to get the subthreshold potential characteristics. In the second model, accumulation charge density is considered to get above-threshold potential characteristics of the device. The proposed models are applicable for the device having lightly doped or intrinsic channel. While obtaining the mathematical model, whole body area is divided into two regions: gated region and un-gated region. The analytical models are compared with technology computer-aided design (TCAD) simulation results and are in complete agreement for different lengths of the gated regions as well as at various supply voltage levels.
Quasi-two-dimensional thermoelectricity in SnSe
Tayari, V.; Senkovskiy, B. V.; Rybkovskiy, D.; Ehlen, N.; Fedorov, A.; Chen, C.-Y.; Avila, J.; Asensio, M.; Perucchi, A.; di Pietro, P.; Yashina, L.; Fakih, I.; Hemsworth, N.; Petrescu, M.; Gervais, G.; Grüneis, A.; Szkopek, T.
2018-01-01
Stannous selenide is a layered semiconductor that is a polar analog of black phosphorus and of great interest as a thermoelectric material. Unusually, hole doped SnSe supports a large Seebeck coefficient at high conductivity, which has not been explained to date. Angle-resolved photoemission spectroscopy, optical reflection spectroscopy, and magnetotransport measurements reveal a multiple-valley valence-band structure and a quasi-two-dimensional dispersion, realizing a Hicks-Dresselhaus thermoelectric contributing to the high Seebeck coefficient at high carrier density. We further demonstrate that the hole accumulation layer in exfoliated SnSe transistors exhibits a field effect mobility of up to 250 cm2/V s at T =1.3 K . SnSe is thus found to be a high-quality quasi-two-dimensional semiconductor ideal for thermoelectric applications.
Folding two dimensional crystals by swift heavy ion irradiation
Energy Technology Data Exchange (ETDEWEB)
Ochedowski, Oliver; Bukowska, Hanna [Fakultät für Physik and CENIDE, Universität Duisburg-Essen, D-47048 Duisburg (Germany); Freire Soler, Victor M. [Fakultät für Physik and CENIDE, Universität Duisburg-Essen, D-47048 Duisburg (Germany); Departament de Fisica Aplicada i Optica, Universitat de Barcelona, E08028 Barcelona (Spain); Brökers, Lara [Fakultät für Physik and CENIDE, Universität Duisburg-Essen, D-47048 Duisburg (Germany); Ban-d' Etat, Brigitte; Lebius, Henning [CIMAP (CEA-CNRS-ENSICAEN-UCBN), 14070 Caen Cedex 5 (France); Schleberger, Marika, E-mail: marika.schleberger@uni-due.de [Fakultät für Physik and CENIDE, Universität Duisburg-Essen, D-47048 Duisburg (Germany)
2014-12-01
Ion irradiation of graphene, the showcase model of two dimensional crystals, has been successfully applied to induce various modifications in the graphene crystal. One of these modifications is the formation of origami like foldings in graphene which are created by swift heavy ion irradiation under glancing incidence angle. These foldings can be applied to locally alter the physical properties of graphene like mechanical strength or chemical reactivity. In this work we show that the formation of foldings in two dimensional crystals is not restricted to graphene but can be applied for other materials like MoS{sub 2} and hexagonal BN as well. Further we show that chemical vapour deposited graphene forms foldings after swift heavy ion irradiation while chemical vapour deposited MoS{sub 2} does not.
Folding two dimensional crystals by swift heavy ion irradiation
International Nuclear Information System (INIS)
Ochedowski, Oliver; Bukowska, Hanna; Freire Soler, Victor M.; Brökers, Lara; Ban-d'Etat, Brigitte; Lebius, Henning; Schleberger, Marika
2014-01-01
Ion irradiation of graphene, the showcase model of two dimensional crystals, has been successfully applied to induce various modifications in the graphene crystal. One of these modifications is the formation of origami like foldings in graphene which are created by swift heavy ion irradiation under glancing incidence angle. These foldings can be applied to locally alter the physical properties of graphene like mechanical strength or chemical reactivity. In this work we show that the formation of foldings in two dimensional crystals is not restricted to graphene but can be applied for other materials like MoS 2 and hexagonal BN as well. Further we show that chemical vapour deposited graphene forms foldings after swift heavy ion irradiation while chemical vapour deposited MoS 2 does not
Two-dimensional time dependent Riemann solvers for neutron transport
International Nuclear Information System (INIS)
Brunner, Thomas A.; Holloway, James Paul
2005-01-01
A two-dimensional Riemann solver is developed for the spherical harmonics approximation to the time dependent neutron transport equation. The eigenstructure of the resulting equations is explored, giving insight into both the spherical harmonics approximation and the Riemann solver. The classic Roe-type Riemann solver used here was developed for one-dimensional problems, but can be used in multidimensional problems by treating each face of a two-dimensional computation cell in a locally one-dimensional way. Several test problems are used to explore the capabilities of both the Riemann solver and the spherical harmonics approximation. The numerical solution for a simple line source problem is compared to the analytic solution to both the P 1 equation and the full transport solution. A lattice problem is used to test the method on a more challenging problem
Dynamics of vortex interactions in two-dimensional flows
DEFF Research Database (Denmark)
Juul Rasmussen, J.; Nielsen, A.H.; Naulin, V.
2002-01-01
The dynamics and interaction of like-signed vortex structures in two dimensional flows are investigated by means of direct numerical solutions of the two-dimensional Navier-Stokes equations. Two vortices with distributed vorticity merge when their distance relative to their radius, d/R-0l. is below...... a critical value, a(c). Using the Weiss-field, a(c) is estimated for vortex patches. Introducing an effective radius for vortices with distributed vorticity, we find that 3.3 ... is effectively producing small scale structures and the relation to the enstrophy "cascade" in developed 2D turbulence is discussed. The influence of finite viscosity on the merging is also investigated. Additionally, we examine vortex interactions on a finite domain, and discuss the results in connection...
Quantum vacuum energy in two dimensional space-times
International Nuclear Information System (INIS)
Davies, P.C.W.; Fulling, S.A.
1977-01-01
The paper presents in detail the renormalization theory of the energy-momentum tensor of a two dimensional massless scalar field which has been used elsewhere to study the local physics in a model of black hole evaporation. The treatment is generalized to include the Casimir effect occurring in spatially finite models. The essence of the method is evaluation of the field products in the tensor as functions of two points, followed by covariant subtraction of the discontinuous terms arising as the points coalesce. In two dimensional massless theories, conformal transformations permit exact calculations to be performed. The results are applied here to some special cases, primarily space-times of constant curvature, with emphasis on the existence of distinct 'vacuum' states associated naturally with different conformal coordinate systems. The relevance of the work to the general problems of defining observables and of classifying and interpreting states in curved-space quantum field theory is discussed. (author)
Explorative data analysis of two-dimensional electrophoresis gels
DEFF Research Database (Denmark)
Schultz, J.; Gottlieb, D.M.; Petersen, Marianne Kjerstine
2004-01-01
of gels is presented. First, an approach is demonstrated in which no prior knowledge of the separated proteins is used. Alignment of the gels followed by a simple transformation of data makes it possible to analyze the gels in an automated explorative manner by principal component analysis, to determine......Methods for classification of two-dimensional (2-DE) electrophoresis gels based on multivariate data analysis are demonstrated. Two-dimensional gels of ten wheat varieties are analyzed and it is demonstrated how to classify the wheat varieties in two qualities and a method for initial screening...... if the gels should be further analyzed. A more detailed approach is done by analyzing spot volume lists by principal components analysis and partial least square regression. The use of spot volume data offers a mean to investigate the spot pattern and link the classified protein patterns to distinct spots...
Tuning spin transport across two-dimensional organometallic junctions
Liu, Shuanglong; Wang, Yun-Peng; Li, Xiangguo; Fry, James N.; Cheng, Hai-Ping
2018-01-01
We study via first-principles modeling and simulation two-dimensional spintronic junctions made of metal-organic frameworks consisting of two Mn-phthalocyanine ferromagnetic metal leads and semiconducting Ni-phthalocyanine channels of various lengths. These systems exhibit a large tunneling magnetoresistance ratio; the transmission functions of such junctions can be tuned using gate voltage by three orders of magnitude. We find that the origin of this drastic change lies in the orbital alignment and hybridization between the leads and the center electronic states. With physical insight into the observed on-off phenomenon, we predict a gate-controlled spin current switch based on two-dimensional crystallines and offer general guidelines for designing spin junctions using 2D materials.
Logarithmic Superdiffusion in Two Dimensional Driven Lattice Gases
Krug, J.; Neiss, R. A.; Schadschneider, A.; Schmidt, J.
2018-03-01
The spreading of density fluctuations in two-dimensional driven diffusive systems is marginally anomalous. Mode coupling theory predicts that the diffusivity in the direction of the drive diverges with time as (ln t)^{2/3} with a prefactor depending on the macroscopic current-density relation and the diffusion tensor of the fluctuating hydrodynamic field equation. Here we present the first numerical verification of this behavior for a particular version of the two-dimensional asymmetric exclusion process. Particles jump strictly asymmetrically along one of the lattice directions and symmetrically along the other, and an anisotropy parameter p governs the ratio between the two rates. Using a novel massively parallel coupling algorithm that strongly reduces the fluctuations in the numerical estimate of the two-point correlation function, we are able to accurately determine the exponent of the logarithmic correction. In addition, the variation of the prefactor with p provides a stringent test of mode coupling theory.
Two-dimensional Simulations of Correlation Reflectometry in Fusion Plasmas
International Nuclear Information System (INIS)
Valeo, E.J.; Kramer, G.J.; Nazikian, R.
2001-01-01
A two-dimensional wave propagation code, developed specifically to simulate correlation reflectometry in large-scale fusion plasmas is described. The code makes use of separate computational methods in the vacuum, underdense and reflection regions of the plasma in order to obtain the high computational efficiency necessary for correlation analysis. Simulations of Tokamak Fusion Test Reactor (TFTR) plasma with internal transport barriers are presented and compared with one-dimensional full-wave simulations. It is shown that the two-dimensional simulations are remarkably similar to the results of the one-dimensional full-wave analysis for a wide range of turbulent correlation lengths. Implications for the interpretation of correlation reflectometer measurements in fusion plasma are discussed
Linear negative magnetoresistance in two-dimensional Lorentz gases
Schluck, J.; Hund, M.; Heckenthaler, T.; Heinzel, T.; Siboni, N. H.; Horbach, J.; Pierz, K.; Schumacher, H. W.; Kazazis, D.; Gennser, U.; Mailly, D.
2018-03-01
Two-dimensional Lorentz gases formed by obstacles in the shape of circles, squares, and retroreflectors are reported to show a pronounced linear negative magnetoresistance at small magnetic fields. For circular obstacles at low number densities, our results agree with the predictions of a model based on classical retroreflection. In extension to the existing theoretical models, we find that the normalized magnetoresistance slope depends on the obstacle shape and increases as the number density of the obstacles is increased. The peaks are furthermore suppressed by in-plane magnetic fields as well as by elevated temperatures. These results suggest that classical retroreflection can form a significant contribution to the magnetoresistivity of two-dimensional Lorentz gases, while contributions from weak localization cannot be excluded, in particular for large obstacle densities.
Quantum vacuum energy in two dimensional space-times
Energy Technology Data Exchange (ETDEWEB)
Davies, P C.W.; Fulling, S A [King' s Coll., London (UK). Dept. of Mathematics
1977-04-21
The paper presents in detail the renormalization theory of the energy-momentum tensor of a two dimensional massless scalar field which has been used elsewhere to study the local physics in a model of black hole evaporation. The treatment is generalized to include the Casimir effect occurring in spatially finite models. The essence of the method is evaluation of the field products in the tensor as functions of two points, followed by covariant subtraction of the discontinuous terms arising as the points coalesce. In two dimensional massless theories, conformal transformations permit exact calculations to be performed. The results are applied here to some special cases, primarily space-times of constant curvature, with emphasis on the existence of distinct 'vacuum' states associated naturally with different conformal coordinate systems. The relevance of the work to the general problems of defining observables and of classifying and interpreting states in curved-space quantum field theory is discussed.
CORPORATE VALUATION USING TWO-DIMENSIONAL MONTE CARLO SIMULATION
Directory of Open Access Journals (Sweden)
Toth Reka
2010-12-01
Full Text Available In this paper, we have presented a corporate valuation model. The model combine several valuation methods in order to get more accurate results. To determine the corporate asset value we have used the Gordon-like two-stage asset valuation model based on the calculation of the free cash flow to the firm. We have used the free cash flow to the firm to determine the corporate market value, which was calculated with use of the Black-Scholes option pricing model in frame of the two-dimensional Monte Carlo simulation method. The combined model and the use of the two-dimensional simulation model provides a better opportunity for the corporate value estimation.
Transport behavior of water molecules through two-dimensional nanopores
International Nuclear Information System (INIS)
Zhu, Chongqin; Li, Hui; Meng, Sheng
2014-01-01
Water transport through a two-dimensional nanoporous membrane has attracted increasing attention in recent years thanks to great demands in water purification and desalination applications. However, few studies have been reported on the microscopic mechanisms of water transport through structured nanopores, especially at the atomistic scale. Here we investigate the microstructure of water flow through two-dimensional model graphene membrane containing a variety of nanopores of different size by using molecular dynamics simulations. Our results clearly indicate that the continuum flow transits to discrete molecular flow patterns with decreasing pore sizes. While for pores with a diameter ≥15 Å water flux exhibits a linear dependence on the pore area, a nonlinear relationship between water flux and pore area has been identified for smaller pores. We attribute this deviation from linear behavior to the presence of discrete water flow, which is strongly influenced by the water-membrane interaction and hydrogen bonding between water molecules
Two-dimensional superconductivity in ultrathin disordered thin films
International Nuclear Information System (INIS)
Beasley, M.R.
1992-01-01
The status of the understanding of two-dimensional superconductivity in ultrathin, disordered thin films is reviewed. The different consequences of microscopic versus macroscopic disorder are stressed. It is shown that microscopic disorder leads to a rapid suppression of the mean-field transition temperature. The consequences of macroscopic disorder are not well understood, but a universal behavior of the zero-bias resistance as a function of field and temperature has been observed. (orig.)
Two-dimensional heat conducting simulation of plasma armatures
International Nuclear Information System (INIS)
Huerta, M.A.; Boynton, G.
1991-01-01
This paper reports on our development of a two-dimensional MHD code to simulate internal motions in a railgun plasma armature. The authors use the equations of resistive MHD, with Ohmic heating, and radiation heat transport. The authors use a Flux Corrected Transport code to advance all quantities in time. Our runs show the development of complex flows, subsequent shedding of secondary arcs, and a drop in the acceleration of the armature
Topological field theories and two-dimensional instantons
International Nuclear Information System (INIS)
Schaposnik, F.A.
1990-01-01
In this paper, the author discusses some topics related to the recently developed Topological Field Theories (TFTs). The first part is devoted to a discussion on how a TFT can be quantized using techniques which are well-known from the study of gauge theories. Then the author describes the results that we have obtained in collaboration with George Thompson in the study of a two-dimensional TFT related to the Abelian Higgs model
Two-dimensional color-code quantum computation
International Nuclear Information System (INIS)
Fowler, Austin G.
2011-01-01
We describe in detail how to perform universal fault-tolerant quantum computation on a two-dimensional color code, making use of only nearest neighbor interactions. Three defects (holes) in the code are used to represent logical qubits. Triple-defect logical qubits are deformed into isolated triangular sections of color code to enable transversal implementation of all single logical qubit Clifford group gates. Controlled-NOT (CNOT) is implemented between pairs of triple-defect logical qubits via braiding.
Collision dynamics of two-dimensional non-Abelian vortices
Mawson, Thomas; Petersen, Timothy C.; Simula, Tapio
2017-09-01
We study computationally the collision dynamics of vortices in a two-dimensional spin-2 Bose-Einstein condensate. In contrast to Abelian vortex pairs, which annihilate or pass through each other, we observe non-Abelian vortex pairs to undergo rungihilation—an event that converts the colliding vortices into a rung vortex. The resulting rung defect subsequently decays to another pair of non-Abelian vortices of different type, accompanied by a magnetization reversal.
An energy principle for two-dimensional collisionless relativistic plasmas
International Nuclear Information System (INIS)
Otto, A.; Schindler, K.
1984-01-01
Using relativistic Vlasov theory an energy principle for two-dimensional plasmas is derived, which provides a sufficient and necessary criterion for the stability of relativistic plasma equilibria. This energy principle includes charge separating effects since the exact Poisson equation was taken into consideration. Applying the variational principle to the case of the relativistic plane plasma sheet, the same marginal wave length is found as in the non-relativistic case. (author)
Graphene – A Two-Dimensional Dirac Material
Liu, Danny; Wicklund, Johan
2014-01-01
Graphene is a two-dimensional material, whose popularity has soared in both condensedmatter physics and material science the past decade. Due to its unique properties, graphene can be used in a vast array of new and interesting applications that could fundamentally change the material industry. This report reviews the current research and literature in order to trace the historical development of graphene. Then, in order to better understand the material, the unique properties of graphene are...
Resistive-strips micromegas detectors with two-dimensional readout
Byszewski, M.; Wotschack, J.
2012-02-01
Micromegas detectors show very good performance for charged particle tracking in high rate environments as for example at the LHC. It is shown that two coordinates can be extracted from a single gas gap in these detectors. Several micromegas chambers with spark protection by resistive strips and two-dimensional readout have been tested in the context of the R&D work for the ATLAS Muon System upgrade.
Hall effect in the two-dimensional Luttinger liquid
International Nuclear Information System (INIS)
Anderson, P.W.
1991-01-01
The temperature dependence of the Hall effect in the normal state is a commom theme of all the cuprate superconductors and has been one of the more puzzling observations on these puzzling materials. We describe a general scheme within the Luttinger liquid theory of these two-dimensional quantum fluids which corrrelates the anomalous Hall and resistivity observations on a wide variety of both pure and doped single crystals, especially the data in the accompanying Letter of Chien, Wang, and Ong
Theory of a Nearly Two-Dimensional Dipolar Bose Gas
2016-05-11
order to be published, he sent the paper to Einstein to translate it. The other contributing scientist is world famous physicist Albert Einstein , maybe...mechanical state, a Bose- Einstein condensate (BEC), where the atoms cease to behave like distinguishable entities, and instead form a single macroscopic...model in both three- and two-dimensional geometries. 15. SUBJECT TERMS Bose Einstein condensation, ultracold physics, condensed matter, dipoles 16
SU(1,2) invariance in two-dimensional oscillator
Energy Technology Data Exchange (ETDEWEB)
Krivonos, Sergey [Bogoliubov Laboratory of Theoretical Physics,Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation); Nersessian, Armen [Yerevan State University,1 Alex Manoogian St., Yerevan, 0025 (Armenia); Tomsk Polytechnic University,Lenin Ave. 30, 634050 Tomsk (Russian Federation)
2017-02-01
Performing the Hamiltonian analysis we explicitly established the canonical equivalence of the deformed oscillator, constructed in arXiv:1607.03756, with the ordinary one. As an immediate consequence, we proved that the SU(1,2) symmetry is the dynamical symmetry of the ordinary two-dimensional oscillator. The characteristic feature of this SU(1,2) symmetry is a non-polynomial structure of its generators written in terms of the oscillator variables.
Decaying Two-Dimensional Turbulence in a Circular Container
Schneider, Kai; Farge, Marie
2005-01-01
We present direct numerical simulations of two-dimensional decaying turbulence at initial Reynolds number 5×104 in a circular container with no-slip boundary conditions. Starting with random initial conditions the flow rapidly exhibits self-organization into coherent vortices. We study their formation and the role of the viscous boundary layer on the production and decay of integral quantities. The no-slip wall produces vortices which are injected into the bulk flow and tend to compensate the...
Two-dimensional readout in a liquid xenon ionisation chamber
Solovov, V; Ferreira-Marques, R; Lopes, M I; Pereira, A; Policarpo, Armando
2002-01-01
A two-dimensional readout with metal strips deposited on both sides of a glass plate is investigated aiming to assess the possibility of its use in a liquid xenon ionisation chamber for positron emission tomography. Here, we present results obtained with an alpha-source. It is shown that position resolution of <=1 mm, fwhm, can be achieved for free charge depositions equivalent to those due to gamma-rays with energy from 220 down to 110 keV.
Stochastic and collisional diffusion in two-dimensional periodic flows
International Nuclear Information System (INIS)
Doxas, I.; Horton, W.; Berk, H.L.
1990-05-01
The global effective diffusion coefficient D* for a two-dimensional system of convective rolls with a time dependent perturbation added, is calculated. The perturbation produces a background diffusion coefficient D, which is calculated analytically using the Menlikov-Arnold integral. This intrinsic diffusion coefficient is then enhanced by the unperturbed flow, to produce the global effective diffusion coefficient D*, which we can calculate theoretically for a certain range of parameters. The theoretical value agrees well with numerical simulations. 23 refs., 4 figs
Two-dimensional correlation spectroscopy in polymer study
Park, Yeonju; Noda, Isao; Jung, Young Mee
2015-01-01
This review outlines the recent works of two-dimensional correlation spectroscopy (2DCOS) in polymer study. 2DCOS is a powerful technique applicable to the in-depth analysis of various spectral data of polymers obtained under some type of perturbation. The powerful utility of 2DCOS combined with various analytical techniques in polymer studies and noteworthy developments of 2DCOS used in this field are also highlighted. PMID:25815286
Spatial Discrete Soliton in Two dimensional with Kerr medium
International Nuclear Information System (INIS)
Aghdami, M.; Mostafavi, D.; Mokhtari, F.; Keradmand, R.
2012-01-01
In this theoretical work propagation of the Gaussian beam through a two dimensional waveguides array is numerically investigated, in which each waveguide contains medium with Kerr nonlinearity considering coupling to vertical, horizontal and diagonal neighbor through light electric field. Different values of intensity, nonlinear coefficient Kerr and Gaussian beam width of incident Gaussian beam are examined and finally suitable parameters for providing central spatial solitons are obtained.
GEPOIS: a two dimensional nonuniform mesh Poisson solver
International Nuclear Information System (INIS)
Quintenz, J.P.; Freeman, J.R.
1979-06-01
A computer code is described which solves Poisson's equation for the electric potential over a two dimensional cylindrical (r,z) nonuniform mesh which can contain internal electrodes. Poisson's equation is solved over a given region subject to a specified charge distribution with either Neumann or Dirichlet perimeter boundary conditions and with Dirichlet boundary conditions on internal surfaces. The static electric field is also computed over the region with special care given to normal electric field components at boundary surfaces
Two-dimensional manifolds with metrics of revolution
International Nuclear Information System (INIS)
Sabitov, I Kh
2000-01-01
This is a study of the topological and metric structure of two-dimensional manifolds with a metric that is locally a metric of revolution. In the case of compact manifolds this problem can be thoroughly investigated, and in particular it is explained why there are no closed analytic surfaces of revolution in R 3 other than a sphere and a torus (moreover, in the smoothness class C ∞ such surfaces, understood in a certain generalized sense, exist in any topological class)
Warranty menu design for a two-dimensional warranty
International Nuclear Information System (INIS)
Ye, Zhi-Sheng; Murthy, D.N. Pra
2016-01-01
Fierce competitions in the commercial product market have forced manufacturers to provide customer-friendly warranties with a view to achieving higher customer satisfaction and increasing the market share. This study proposes a strategy that offers customers a two-dimensional warranty menu with a number of warranty choices, called a flexible warranty policy. We investigate the design of a flexible two-dimensional warranty policy that contains a number of rectangular regions. This warranty policy is obtained by dividing customers into several groups according to their use rates and providing each group a germane warranty region. Consumers choose a favorable one from the menu according to their usage behaviors. Evidently, this flexible warranty policy is attractive to users of different usage behaviors, and thus, it gives the manufacturer a good position in advertising the product. When consumers are unaware about their use rates upon purchase, we consider a fixed two-dimensional warranty policy with a stair-case warranty region and show that it is equivalent to the flexible policy. Such an equivalence reveals the inherent relationship between the rectangular warranty policy, the L-shape warranty policy, the step-stair warranty policy and the iso-probability of failure warranty policy that were extensively discussed in the literature. - Highlights: • We design a two-dimensional warranty menu with a number of warranty choices. • Consumers can choose a favorable one from the menu as per their usage behavior. • We further consider a fixed 2D warranty policy with a stair-case warranty region. • We show the equivalence of the two warranty policies.
Two-dimensional simulation of the MHD stability, (1)
International Nuclear Information System (INIS)
Kurita, Gen-ichi; Amano, Tsuneo.
1976-03-01
The two-dimensional computer code has been prepared to study MHD stability of an axisymmetric toroidal plasma with and without the surrounding vacuum region. It also includes the effect of magnetic surfaces with non-circular cross sections. The linearized equations of motion are solved as an initial value problem. The results by computer simulation are compared with those by the theory for the cylindrical plasma; they are in good agreement. (auth.)
Two-dimensional analysis of trapped-ion eigenmodes
International Nuclear Information System (INIS)
Marchand, R.; Tang, W.M.; Rewoldt, G.
1979-11-01
A fully two-dimensional eigenmode analysis of the trapped-ion instability in axisymmetric toroidal geometry is presented. The calculations also takes into account the basic dynamics associated with other low frequency modes such as the trapped-electron instability and the ion-temperature-gradient instability. The poloidal structure of the mode is taken into account by Fourier expanding the perturbed electrostatic potential, PHI, in theta
International Nuclear Information System (INIS)
Kirillov, I.R.; Obukhov, D.M.
2005-01-01
One introduces a completely two-dimensional mathematical model to calculate characteristics of induction magnetohydrodynamic (MHD) machines with a cylindrical channel. On the basis of the numerical analysis one obtained a pattern of liquid metal flow in a electromagnetic pump at presence of the MHD-instability characterized by initiation of large-scale vortices propagating longitudinally and azimuthally. Comparison of the basic calculated characteristics of pump with the experiment shows their adequate qualitative and satisfactory quantitative coincidence [ru
Magnetoresistance of a two-dimensional electron gas in a random magnetic field
DEFF Research Database (Denmark)
Smith, Anders; Taboryski, Rafael Jozef; Hansen, Luise Theil
1994-01-01
We report magnetoresistance measurements on a two-dimensional electron gas made from a high-mobility GaAs/AlxGa1-xAs heterostructure, where the externally applied magnetic field was expelled from regions of the semiconductor by means of superconducting lead grains randomly distributed on the surf...... on the surface of the sample. A theoretical explanation in excellent agreement with the experiment is given within the framework of the semiclassical Boltzmann equation. © 1994 The American Physical Society...
International Nuclear Information System (INIS)
Minnhagen, P.; Weber, H.
1985-01-01
A Monte Carlo simulation of the Ginsburg-Landau Coulomb-gas model for vortex fluctuations is described and compared to the measured resistance scaling function for two-dimensional superconductors. This constitutes a new, more direct way of confirming the vortex-fluctuation explanation for the resistive tail of high-sheet-resistance superconducting films. The Monte Carlo data obtained indicate a striking accordance between theory and experiments
Local order and onset of chaos for a family of two-dimensional dissipative mappings
Energy Technology Data Exchange (ETDEWEB)
Brambilla, R [Dipt. di Fisica, Milano Univ. (Italy); Casartelli, M [Dipt. di Fision, Parma Univ. (Italy); Unita Risonanze Magnetiche, G.N.S.M.-C.N.R., Parma (Italy))
1985-08-11
We study the stochastic transition of a family of dissipative mappings of the two-dimensional tours, having a pure rotation and an Anosov hyperbolic automorphism as limit cases. Numerical experiments show that the onset of chaos is characterized by a sudden destruction of basins of previously conserved invariant sets and by the appearance of a strange attractor. The nature of these phenomena is clarified by analytical considerations.
Negative refraction at infrared wavelengths in a two-dimensional photonic crystal
International Nuclear Information System (INIS)
Berrier, A.; Mulot, M.; Swillo, M.; Qiu, M.; Thylen, L.; Anand, S.; Talneau, A.
2004-01-01
We report on the first experimental evidence of negative refraction at telecommunication wavelengths by a two-dimensional photonic crystal field. Samples were fabricated by chemically assisted ion beam etching in the InP-based low-index constrast system. Experiments of beam imaging and light collection show light focusing by the photonic crystal field. Finite-difference time-domain simulations confirm that the observed focusing is due to negative refraction in the photonic crystal area
Electromagnetically induced two-dimensional grating assisted by incoherent pump
Energy Technology Data Exchange (ETDEWEB)
Chen, Yu-Yuan; Liu, Zhuan-Zhuan; Wan, Ren-Gang, E-mail: wrg@snnu.edu.cn
2017-04-25
We propose a scheme for realizing electromagnetically induced two-dimensional grating in a double-Λ system driven simultaneously by a coherent field and an incoherent pump field. In such an atomic configuration, the absorption is suppressed owing to the incoherent pumping process and the probe can be even amplified, while the refractivity is mainly attributed to the dynamically induced coherence. With the help of a standing-wave pattern coherent field, we obtain periodically modulated refractive index without or with gain, and therefore phase grating or gain-phase grating which diffracts a probe light into high-order direction efficiently can be formed in the medium via appropriate manipulation of the system parameters. The diffraction efficiency attainable by the present gratings can be controlled by tuning the coherent field intensity or the interaction length. Hence, the two-dimensional grating can be utilized as all-optical splitter or router in optical networking and communication. - Highlights: • Two-dimensional grating is coherently induced in four-level atoms. • Phase and gain-phase gratings are obtained assisted by incoherent pump. • The diffraction power is improved due to the enhanced refraction modulation. • The gratings can be utilized as multi-channel all-optical splitter and router.
Procedures for two-dimensional electrophoresis of proteins
Energy Technology Data Exchange (ETDEWEB)
Tollaksen, S.L.; Giometti, C.S.
1996-10-01
High-resolution two-dimensional gel electrophoresis (2DE) of proteins, using isoelectric focusing in the first dimension and sodium dodecyl sulfate/polyacrylamide gel electrophoresis (SDS-PAGE) in the second, was first described in 1975. In the 20 years since those publications, numerous modifications of the original method have evolved. The ISO-DALT system of 2DE is a high-throughput approach that has stood the test of time. The problem of casting many isoelectric focusing gels and SDS-PAGE slab gels (up to 20) in a reproducible manner has been solved by the use of the techniques and equipment described in this manual. The ISO-DALT system of two-dimensional gel electrophoresis originated in the late 1970s and has been modified many times to improve its high-resolution, high-throughput capabilities. This report provides the detailed procedures used with the current ISO-DALT system to prepare, run, stain, and photograph two-dimensional gels for protein analysis.
Experimental two-dimensional quantum walk on a photonic chip.
Tang, Hao; Lin, Xiao-Feng; Feng, Zhen; Chen, Jing-Yuan; Gao, Jun; Sun, Ke; Wang, Chao-Yue; Lai, Peng-Cheng; Xu, Xiao-Yun; Wang, Yao; Qiao, Lu-Feng; Yang, Ai-Lin; Jin, Xian-Min
2018-05-01
Quantum walks, in virtue of the coherent superposition and quantum interference, have exponential superiority over their classical counterpart in applications of quantum searching and quantum simulation. The quantum-enhanced power is highly related to the state space of quantum walks, which can be expanded by enlarging the photon number and/or the dimensions of the evolution network, but the former is considerably challenging due to probabilistic generation of single photons and multiplicative loss. We demonstrate a two-dimensional continuous-time quantum walk by using the external geometry of photonic waveguide arrays, rather than the inner degree of freedoms of photons. Using femtosecond laser direct writing, we construct a large-scale three-dimensional structure that forms a two-dimensional lattice with up to 49 × 49 nodes on a photonic chip. We demonstrate spatial two-dimensional quantum walks using heralded single photons and single photon-level imaging. We analyze the quantum transport properties via observing the ballistic evolution pattern and the variance profile, which agree well with simulation results. We further reveal the transient nature that is the unique feature for quantum walks of beyond one dimension. An architecture that allows a quantum walk to freely evolve in all directions and at a large scale, combining with defect and disorder control, may bring up powerful and versatile quantum walk machines for classically intractable problems.
Automated Processing of Two-Dimensional Correlation Spectra
Sengstschmid; Sterk; Freeman
1998-04-01
An automated scheme is described which locates the centers of cross peaks in two-dimensional correlation spectra, even under conditions of severe overlap. Double-quantum-filtered correlation (DQ-COSY) spectra have been investigated, but the method is also applicable to TOCSY and NOESY spectra. The search criterion is the intrinsic symmetry (or antisymmetry) of cross-peak multiplets. An initial global search provides the preliminary information to build up a two-dimensional "chemical shift grid." All genuine cross peaks must be centered at intersections of this grid, a fact that reduces the extent of the subsequent search program enormously. The program recognizes cross peaks by examining the symmetry of signals in a test zone centered at a grid intersection. This "symmetry filter" employs a "lowest value algorithm" to discriminate against overlapping responses from adjacent multiplets. A progressive multiplet subtraction scheme provides further suppression of overlap effects. The processed two-dimensional correlation spectrum represents cross peaks as points at the chemical shift coordinates, with some indication of their relative intensities. Alternatively, the information is presented in the form of a correlation table. The authenticity of a given cross peak is judged by a set of "confidence criteria" expressed as numerical parameters. Experimental results are presented for the 400-MHz double-quantum-filtered COSY spectrum of 4-androsten-3,17-dione, a case where there is severe overlap. Copyright 1998 Academic Press.
Quantum oscillations in quasi-two-dimensional conductors
Galbova, O
2002-01-01
The electronic absorption of sound waves in quasi-two-dimensional conductors in strong magnetic fields, is investigated theoretically. A longitudinal acoustic wave, propagating along the normal n-> to the layer of quasi-two-dimensional conductor (k-> = left brace 0,0,k right brace; u-> = left brace 0,0,u right brace) in magnetic field (B-> = left brace 0, 0, B right brace), is considered. The quasiclassical approach for this geometry is of no interest, due to the absence of interaction between electromagnetic and acoustic waves. The problem is of interest in strong magnetic field when quantization of the charge carriers energy levels takes place. The quantum oscillations in the sound absorption coefficient, as a function of the magnetic field, are theoretically observed. The experimental study of the quantum oscillations in quasi-two-dimensional conductors makes it possible to solve the inverse problem of determining from experimental data the extrema closed sections of the Fermi surface by a plane p sub z = ...
Directory of Open Access Journals (Sweden)
D. A. Fetisov
2015-01-01
Full Text Available The controllability conditions are well known if we speak about linear stationary systems: a linear stationary system is controllable if and only if the dimension of the state vector is equal to the rank of the controllability matrix. The concept of the controllability matrix is extended to affine systems, but relations between affine systems controllability and properties of this matrix are more complicated. Various controllability conditions are set for affine systems, but they deal as usual either with systems of some special form or with controllability in some small neighborhood of the concerned point. An affine system is known to be controllable if the system is equivalent to a system of a canonical form, which is defined and regular in the whole space of states. In this case, the system is said to be feedback linearizable in the space of states. However there are examples, which illustrate that a system can be controllable even if it is not feedback linearizable in any open subset in the space of states. In this article we deal with such systems.Affine systems with two-dimensional control are considered. The system in question is assumed to be equivalent to a system of a quasicanonical form with two-dimensional zero dynamics which is defined and regular in the whole space of states. Therefore the controllability of the original system is equivalent to the controllability of the received system of a quasicanonical form. In this article the sufficient condition for an available solution of the terminal problem is proven for systems of a quasicanonical form with two-dimensional control and two-dimensional zero dynamics. The condition is valid in the case of an arbitrary time interval and arbitrary initial and finite states of the system. Therefore the controllability condition is set for systems of a quasicanonical form with two-dimensional control and two-dimensional zero dynamics. An example is given which illustrates how the proved
Energy Technology Data Exchange (ETDEWEB)
Mote, Kaustubh R. [University of Minnesota, Department of Chemistry (United States); Gopinath, T. [University of Minnesota, Department of Biochemistry, Molecular Biology and Biophysics (United States); Veglia, Gianluigi, E-mail: vegli001@umn.edu [University of Minnesota, Department of Chemistry (United States)
2013-10-15
The low sensitivity inherent to both the static and magic angle spinning techniques of solid-state NMR (ssNMR) spectroscopy has thus far limited the routine application of multidimensional experiments to determine the structure of membrane proteins in lipid bilayers. Here, we demonstrate the advantage of using a recently developed class of experiments, polarization optimized experiments, for both static and MAS spectroscopy to achieve higher sensitivity and substantial time-savings for 2D and 3D experiments. We used sarcolipin, a single pass membrane protein, reconstituted in oriented bicelles (for oriented ssNMR) and multilamellar vesicles (for MAS ssNMR) as a benchmark. The restraints derived by these experiments are then combined into a hybrid energy function to allow simultaneous determination of structure and topology. The resulting structural ensemble converged to a helical conformation with a backbone RMSD {approx}0.44 A, a tilt angle of 24 Degree-Sign {+-} 1 Degree-Sign , and an azimuthal angle of 55 Degree-Sign {+-} 6 Degree-Sign . This work represents a crucial first step toward obtaining high-resolution structures of large membrane proteins using combined multidimensional oriented solid-state NMR and magic angle spinning solid-state NMR.
International Nuclear Information System (INIS)
Dziekański, Paweł; Grudziąż, Katarzyna; Jarvoll, Patrik; Koźmiński, Wiktor; Zawadzka-Kazimierczuk, Anna
2015-01-01
Intrinsically disordered proteins (IDPs) have recently attracted much interest, due to their role in many biological processes, including signaling and regulation mechanisms. High-dimensional 13 C direct-detected NMR experiments have proven exceptionally useful in case of IDPs, providing spectra with superior peak dispersion. Here, two such novel experiments recorded with non-uniform sampling are introduced, these are 5D HabCabCO(CA)NCO and 5D HNCO(CA)NCO. Together with the 4D (HACA)CON(CA)NCO, an extension of the previously published 3D experiments (Pantoja-Uceda and Santoro in J Biomol NMR 59:43–50, 2014. doi: 10.1007/s10858-014-9827-1 10.1007/s10858-014-9827-1 ), they form a set allowing for complete and reliable resonance assignment of difficult IDPs. The processing is performed with sparse multidimensional Fourier transform based on the concept of restricting (fixing) some of spectral dimensions to a priori known resonance frequencies. In our study, a multiple-fixing method was developed, that allows easy access to spectral data. The experiments were tested on a resolution-demanding alpha-synuclein sample. Due to superior peak dispersion in high-dimensional spectrum and availability of the sequential connectivities between four consecutive residues, the overwhelming majority of resonances could be assigned automatically using the TSAR program
Directory of Open Access Journals (Sweden)
Dinesh Kumar
2013-11-01
Full Text Available This paper deals with the study of two-dimensional Saigo-Maeda operators of Weyl type associated with Aleph function defined in this paper. Two theorems on these defined operators are established. Some interesting results associated with the H-functions and generalized Mittag-Leffler functions are deduced from the derived results. One dimensional analog of the derived results is also obtained.
International Nuclear Information System (INIS)
Gal, Maayan; Kern, Thomas; Schanda, Paul; Frydman, Lucio; Brutscher, Bernhard
2009-01-01
Multidimensional NMR spectroscopy is a well-established technique for the characterization of structure and fast-time-scale dynamics of highly populated ground states of biological macromolecules. The investigation of short-lived excited states that are important for molecular folding, misfolding and function, however, remains a challenge for modern biomolecular NMR techniques. Off-equilibrium real-time kinetic NMR methods allow direct observation of conformational or chemical changes by following peak positions and intensities in a series of spectra recorded during a kinetic event. Because standard multidimensional NMR methods required to yield sufficient atom-resolution are intrinsically time-consuming, many interesting phenomena are excluded from real-time NMR analysis. Recently, spatially encoded ultrafast 2D NMR techniques have been proposed that allow one to acquire a 2D NMR experiment within a single transient. In addition, when combined with the SOFAST technique, such ultrafast experiments can be repeated at high rates. One of the problems detected for such ultrafast protein NMR experiments is related to the heteronuclear decoupling during detection with interferences between the pulses and the oscillatory magnetic field gradients arising in this scheme. Here we present a method for improved ultrafast data acquisition yielding higher signal to noise and sharper lines in single-scan 2D NMR spectra. In combination with a fast-mixing device, the recording of 1 H- 15 N correlation spectra with repetition rates of up to a few Hertz becomes feasible, enabling real-time studies of protein kinetics occurring on time scales down to a few seconds
Decaying quasi-two-dimensional viscous flow on a square domain
DEFF Research Database (Denmark)
Konijnenberg, J.A. van de; Flor, J.B.; Heijst, G.J.F. van
1998-01-01
A comparison is made between experimental, numerical and analytical results for the two-dimensional flow on a square domain. The experiments concern the flow at the interface of a two-layer stratified fluid, evoked by either stirring the fluid with a rake, or by injecting additional fluid...... at the interface. Two numerical simulations were performed with initial conditions and boundary conditions that correspond approximately with those met in the experiments. The analytical results concern the calculation of the lowest modes of a decaying Stokes flow on a square domain. At late times...... relationship between vorticity and stream function in the experiments and the simulations. (C) 1998 American Institute of Physics....
Intrinsic two-dimensional states on the pristine surface of tellurium
Li, Pengke; Appelbaum, Ian
2018-05-01
Atomic chains configured in a helical geometry have fascinating properties, including phases hosting localized bound states in their electronic structure. We show how the zero-dimensional state—bound to the edge of a single one-dimensional helical chain of tellurium atoms—evolves into two-dimensional bands on the c -axis surface of the three-dimensional trigonal bulk. We give an effective Hamiltonian description of its dispersion in k space by exploiting confinement to a virtual bilayer, and elaborate on the diminished role of spin-orbit coupling. These intrinsic gap-penetrating surface bands were neglected in the interpretation of seminal experiments, where two-dimensional transport was otherwise attributed to extrinsic accumulation layers.
The simulation of two-dimensional migration patterns - a novel approach
Energy Technology Data Exchange (ETDEWEB)
Villar, Heldio Pereira [Universidade de Pernambuco, Recife, PE (Brazil). Escola Politecnica]|[Centro Regional de Ciencias Nucleares, Recife, PE (Brazil)
1997-12-31
A novel approach to the problem of simulation of two-dimensional migration of solutes in saturated soils is presented. In this approach, the two-dimensional advection-dispersion equation is solved by finite-differences in a stepwise fashion, by employing the one-dimensional solution first in the direction of flow and then perpendicularly, using the same time increment in both cases. As the results of this numerical model were to be verified against experimental results obtained by radioactive tracer experiments, an attenuation factor, to account for the contribution of the gamma rays emitted by the whole plume of tracer to the readings of the adopted radiation detectors, was introduced into the model. The comparison between experimental and simulated concentration contours showed good agreement, thus establishing the feasibility of the approach proposed herein. (author) 6 refs., 6 figs.
Driving performance of a two-dimensional homopolar linear DC motor
Energy Technology Data Exchange (ETDEWEB)
Wang, Y.; Yamaguchi, M.; Kano, Y. [Tokyo University of Agriculture and Technology, Tokyo (Japan)
1998-05-01
This paper presents a novel two-dimensional homopolar linear de motor (LDM) which can realize two-dimensional (2-D) motion. For position control purposes, two kinds of position detecting methods are proposed. The position in one position is detected by means of a capacitive sensor which makes the output of the sensor partially immune to the variation of the gap between electrodes. The position in the other direction is achieved by exploiting the position dependent property of the driving coil inductance, instead of using an independent sensor. The position control is implemented on the motor and 2-D tracking performance is analyzed. Experiments show that the motor demonstrates satisfactory driving performance, 2-D tracking error being within 5.5% when the angular frequency of reference signal is 3.14 rad./s. 7 refs., 17 figs., 2 tabs.
The simulation of two-dimensional migration patterns - a novel approach
International Nuclear Information System (INIS)
Villar, Heldio Pereira
1997-01-01
A novel approach to the problem of simulation of two-dimensional migration of solutes in saturated soils is presented. In this approach, the two-dimensional advection-dispersion equation is solved by finite-differences in a stepwise fashion, by employing the one-dimensional solution first in the direction of flow and then perpendicularly, using the same time increment in both cases. As the results of this numerical model were to be verified against experimental results obtained by radioactive tracer experiments, an attenuation factor, to account for the contribution of the gamma rays emitted by the whole plume of tracer to the readings of the adopted radiation detectors, was introduced into the model. The comparison between experimental and simulated concentration contours showed good agreement, thus establishing the feasibility of the approach proposed herein. (author)
Two-Dimensional Fuzzy Sliding Mode Control of a Field-Sensed Magnetic Suspension System
Directory of Open Access Journals (Sweden)
Jen-Hsing Li
2014-01-01
Full Text Available This paper presents the two-dimensional fuzzy sliding mode control of a field-sensed magnetic suspension system. The fuzzy rules include both the sliding manifold and its derivative. The fuzzy sliding mode control has advantages of the sliding mode control and the fuzzy control rules are minimized. Magnetic suspension systems are nonlinear and inherently unstable systems. The two-dimensional fuzzy sliding mode control can stabilize the nonlinear systems globally and attenuate chatter effectively. It is adequate to be applied to magnetic suspension systems. New design circuits of magnetic suspension systems are proposed in this paper. ARM Cortex-M3 microcontroller is utilized as a digital controller. The implemented driver, sensor, and control circuits are simpler, more inexpensive, and effective. This apparatus is satisfactory for engineering education. In the hands-on experiments, the proposed control scheme markedly improves performances of the field-sensed magnetic suspension system.
Two-dimensional polyacrylamide gel electrophoresis of intracellular proteins
International Nuclear Information System (INIS)
Ojima, N.; Sakamoto, T.; Yamashita, M.
1996-01-01
Since two-dimensional electrophoresis was established by O'Farrell for analysis of intracellular proteins of Escherichia coli, it has been applied to separation of proteins of animal cells and tissues, and especially to identification of stress proteins. Using this technique, proteins are separated by isoelectric focusing containing 8 m urea in the first dimension and by SDS-PAGE in the second dimension. The gels are stained with Coomassie Blue R-250 dye, followed by silver staining. In the case of radio-labeled proteins, the gels are dried and then autoradiographed. In order to identify a specific protein separated by two-dimensional electrophoresis, a technique determining the N-terminal amino acid sequence of the protein has been developed recently. After the proteins in the gel were electrotransferred to a polyvinylidene difluoride membrane, the membrane was stained for protein with Commassie Blue and a stained membrane fragment was applied to a protein sequencer. Our recent studies demonstrated that fish cells newly synthesized various proteins in response to heat shock, cold nd osmotic stresses. For example, when cellular proteins extracted from cold-treated rainbow trout cells were subjected to two-dimensional gel electrophoresis, the 70 kDa protein was found to be synthesized during the cold-treatment. N-Terminal sequence analysis showed that the cold-inducible protein was a homolog of mammalian valosin-containing protein and yeast cell division cycle gene product CDC48p. Furthermore, the sequence data were useful for preparing PCR primers and a rabbit antibody against a synthetic peptide to analyze a role for the protein in the function of trout cells and mechanisms for regulation
Statistical mechanics of two-dimensional and geophysical flows
International Nuclear Information System (INIS)
Bouchet, Freddy; Venaille, Antoine
2012-01-01
The theoretical study of the self-organization of two-dimensional and geophysical turbulent flows is addressed based on statistical mechanics methods. This review is a self-contained presentation of classical and recent works on this subject; from the statistical mechanics basis of the theory up to applications to Jupiter’s troposphere and ocean vortices and jets. Emphasize has been placed on examples with available analytical treatment in order to favor better understanding of the physics and dynamics. After a brief presentation of the 2D Euler and quasi-geostrophic equations, the specificity of two-dimensional and geophysical turbulence is emphasized. The equilibrium microcanonical measure is built from the Liouville theorem. Important statistical mechanics concepts (large deviations and mean field approach) and thermodynamic concepts (ensemble inequivalence and negative heat capacity) are briefly explained and described. On this theoretical basis, we predict the output of the long time evolution of complex turbulent flows as statistical equilibria. This is applied to make quantitative models of two-dimensional turbulence, the Great Red Spot and other Jovian vortices, ocean jets like the Gulf-Stream, and ocean vortices. A detailed comparison between these statistical equilibria and real flow observations is provided. We also present recent results for non-equilibrium situations, for the studies of either the relaxation towards equilibrium or non-equilibrium steady states. In this last case, forces and dissipation are in a statistical balance; fluxes of conserved quantity characterize the system and microcanonical or other equilibrium measures no longer describe the system.
Poppe, Leszek; Jordan, John B; Rogers, Gary; Schnier, Paul D
2015-06-02
An important aspect in the analytical characterization of protein therapeutics is the comprehensive characterization of higher order structure (HOS). Nuclear magnetic resonance (NMR) is arguably the most sensitive method for fingerprinting HOS of a protein in solution. Traditionally, (1)H-(15)N or (1)H-(13)C correlation spectra are used as a "structural fingerprint" of HOS. Here, we demonstrate that protein fingerprint by line shape enhancement (PROFILE), a 1D (1)H NMR spectroscopy fingerprinting approach, is superior to traditional two-dimensional methods using monoclonal antibody samples and a heavily glycosylated protein therapeutic (Epoetin Alfa). PROFILE generates a high resolution structural fingerprint of a therapeutic protein in a fraction of the time required for a 2D NMR experiment. The cross-correlation analysis of PROFILE spectra allows one to distinguish contributions from HOS vs protein heterogeneity, which is difficult to accomplish by 2D NMR. We demonstrate that the major analytical limitation of two-dimensional methods is poor selectivity, which renders these approaches problematic for the purpose of fingerprinting large biological macromolecules.
Interface Effects Enabling New Applications of Two-Dimensional Materials
Sattar, Shahid
2018-05-01
Interface effects in two-dimensional (2D) materials play a critical role for the electronic properties and device characteristics. Here we use first-principles calculations to investigate interface effects in 2D materials enabling new applications. We first show that graphene in contact with monolayer and bilayer PtSe2 experiences weak van der Waals interaction. Analysis of the work functions and band bending at the interface reveals that graphene forms an n-type Schottky contact with monolayer PtSe2 and a p-type Schottky contact with bilayer PtSe2, whereas a small biaxial tensile strain makes the contact Ohmic in the latter case as required for transistor operation. For silicene, which is a 2D Dirac relative of graphene, structural buckling complicates the experimental synthesis and strong interaction with the substrate perturbs the characteristic linear dispersion. To remove this obstacle, we propose solid argon as a possible substrate for realizing quasi-freestanding silicene and argue that a weak van der Waals interaction and small binding energy indicate the possibility to separate silicene from the substrate. For the silicene-PtSe2 interface, we demonstrate much stronger interlayer interaction than previously reported for silicene on other semiconducting substrates. Due to the inversion symmetry breaking and proximity to PtSe2, a band gap opening and spin splittings in the valence and conduction bands of silicene are observed. It is also shown that the strong interlayer interaction can be effectively reduced by intercalating NH3 molecules between silicene and PtSe2, and a small NH3 discussion barrier makes intercalation a viable experimental approach. Silicene/germanene are categorized as key materials for the field of valleytronics due to stronger spin-orbit coupling as compared to graphene. However, no viable route exists so far to experimental realization. We propose F-doped WS2 as substrate that avoids detrimental effects and at the same time induces the
Introduction to two dimensional conformal and superconformal field theory
International Nuclear Information System (INIS)
Shenker, S.H.
1986-01-01
Some of the basic properties of conformal and superconformal field theories in two dimensions are discussed in connection with the string and superstring theories built from them. In the first lecture the stress-energy tensor, the Virasoro algebra, highest weight states, primary fields, operator products coefficients, bootstrap ideas, and unitary and degenerate representations of the Virasoro algebra are discussed. In the second lecture the basic structure of superconformal two dimensional field theory is sketched and then the Ramond Neveu-Schwarz formulation of the superstring is described. Some of the issues involved in constructing the fermion vertex in this formalism are discussed
Quasi-integrability and two-dimensional QCD
International Nuclear Information System (INIS)
Abdalla, E.; Mohayaee, R.
1996-10-01
The notion of integrability in two-dimensional QCD is discussed. We show that in spite of an infinite number of conserved charges, particle production is not entirely suppressed. This phenomenon, which we call quasi-integrability, is explained in terms of quantum corrections to the combined algebra of higher-conserved and spectrum-generating currents. We predict the qualitative form of particle production probabilities and verify that they are in agreement with numerical data. We also discuss four-dimensional self-dual Yang-Mills theory in the light of our results. (author). 25 refs, 4 figs, 1 tab
Two dimensional hybrid simulation of a curved bow shock
International Nuclear Information System (INIS)
Thomas, V.A.; Winske, D.
1990-01-01
Results are presented from two dimensional hybrid simulations of curved collisionless supercritical shocks, retaining both quasi-perpendicular and quasi-parallel sections of the shock in order to study the character and origin of the foreshock ion population. The simulations demonstrate that the foreshock ion population is dominated by ions impinging upon the quasi-parallel side of the shock, while nonlocal transport from the quasi-perpendicular side of the shock into the foreshock region is minimal. Further, it is shown that the ions gain energy by drifting significantly in the direction of the convection electric field through multiple shock encounters
Focused two-dimensional antiscatter grid for mammography
International Nuclear Information System (INIS)
Makarova, O.V.; Moldovan, N.; Tang, C.-M.; Mancini, D.C.; Divan, R.; Zyryanov, V.N.; Ryding, D.C.; Yaeger, J.; Liu, C.
2002-01-01
We are developing freestanding high-aspect-ratio, focused, two-dimensional antiscatter grids for mammography using deep x-ray lithography and copper electroforming. The exposure is performed using x-rays from bending magnet beamline 2-BM at the Advanced Photon Source (APS) of Argonne National Laboratory. A 2.8-mm-thick prototype freestanding copper antiscatter grid with 25 (micro)m-wide parallel cell walls and 550 (micro)m periodicity has been fabricated. The progress in developing a dynamic double-exposure technique to create the grid with the cell walls aligned to a point x-ray source of the mammography system is discussed
Two-dimensional 220 MHz Fourier transform EPR imaging
International Nuclear Information System (INIS)
Placidi, Giuseppe; Brivati, John A.; Alecci, Marcello; Testa, Luca; Sotgiu, Antonello
1998-01-01
In the last decade radiofrequency continuous-wave EPR spectrometers have been developed to detect and localize free radicals in vivo. Only recently, pulsed radiofrequency EPR spectrometers have been described for imaging applications with small samples. In the present work, we show the first two-dimensional image obtained at 220 MHz on a large phantom (40 ml) that simulates typical conditions of in vivo EPR imaging. This pulsed EPR apparatus has the potential to make the time required for three-dimensional imaging compatible with the biological half-life of normally used paramagnetic probes. (author)
Voltage quantization by ballistic vortices in two-dimensional superconductors
International Nuclear Information System (INIS)
Orlando, T.P.; Delin, K.A.
1991-01-01
The voltage generated by moving ballistic vortices with a mass m ν in a two-dimensional superconducting ring is quantized, and this quantization depends on the amount of charge enclosed by the ring. The quantization of the voltage is the dual to flux quantization in a superconductor, and is a manifestation of the Aharonov-Casher effect. The quantization is obtained by applying the Bohr-Sommerfeld criterion to the canonical momentum of the ballistic vortices. The results of this quantization condition can also be used to understand the persistent voltage predicted by van Wees for an array of Josephson junctions
Two-dimensional beam profiles and one-dimensional projections
Findlay, D. J. S.; Jones, B.; Adams, D. J.
2018-05-01
One-dimensional projections of improved two-dimensional representations of transverse profiles of particle beams are proposed for fitting to data from harp-type monitors measuring beam profiles on particle accelerators. Composite distributions, with tails smoothly matched on to a central (inverted) parabola, are shown to give noticeably better fits than single gaussian and single parabolic distributions to data from harp-type beam profile monitors all along the proton beam transport lines to the two target stations on the ISIS Spallation Neutron Source. Some implications for inferring beam current densities on the beam axis are noted.
Two-dimensionally confined topological edge states in photonic crystals
International Nuclear Information System (INIS)
Barik, Sabyasachi; Miyake, Hirokazu; DeGottardi, Wade; Waks, Edo; Hafezi, Mohammad
2016-01-01
We present an all-dielectric photonic crystal structure that supports two-dimensionally confined helical topological edge states. The topological properties of the system are controlled by the crystal parameters. An interface between two regions of differing band topologies gives rise to topological edge states confined in a dielectric slab that propagate around sharp corners without backscattering. Three-dimensional finite-difference time-domain calculations show these edges to be confined in the out-of-plane direction by total internal reflection. Such nanoscale photonic crystal architectures could enable strong interactions between photonic edge states and quantum emitters. (paper)
Nonlinear aerodynamics of two-dimensional airfoils in severe maneuver
Scott, Matthew T.; Mccune, James E.
1988-01-01
This paper presents a nonlinear theory of forces and moment acting on a two-dimensional airfoil in unsteady potential flow. Results are obtained for cases of both large and small amplitude motion. The analysis, which is based on an extension of Wagner's integral equation to the nonlinear regime, takes full advantage of the trailing wake's tendency to deform under local velocities. Interactive computational results are presented that show examples of wake-induced lift and moment augmentation on the order of 20 percent of quasi-static values. The expandability and flexibility of the present computational method are noted, as well as the relative speed with which solutions are obtained.
Two-dimensional unsteady lift problems in supersonic flight
Heaslet, Max A; Lomax, Harvard
1949-01-01
The variation of pressure distribution is calculated for a two-dimensional supersonic airfoil either experiencing a sudden angle-of-attack change or entering a sharp-edge gust. From these pressure distributions the indicial lift functions applicable to unsteady lift problems are determined for two cases. Results are presented which permit the determination of maximum increment in lift coefficient attained by an unrestrained airfoil during its flight through a gust. As an application of these results, the minimum altitude for safe flight through a specific gust is calculated for a particular supersonic wing of given strength and wing loading.
Engineering topological edge states in two dimensional magnetic photonic crystal
Yang, Bing; Wu, Tong; Zhang, Xiangdong
2017-01-01
Based on a perturbative approach, we propose a simple and efficient method to engineer the topological edge states in two dimensional magnetic photonic crystals. The topological edge states in the microstructures can be constructed and varied by altering the parameters of the microstructure according to the field-energy distributions of the Bloch states at the related Bloch wave vectors. The validity of the proposed method has been demonstrated by exact numerical calculations through three concrete examples. Our method makes the topological edge states "designable."
Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs
Energy Technology Data Exchange (ETDEWEB)
Mannix, A. J.; Zhou, X. -F.; Kiraly, B.; Wood, J. D.; Alducin, D.; Myers, B. D.; Liu, X.; Fisher, B. L.; Santiago, U.; Guest, J. R.; Yacaman, M. J.; Ponce, A.; Oganov, A. R.; Hersam, M. C.; Guisinger, N. P.
2015-12-17
At the atomic-cluster scale, pure boron is markedly similar to carbon, forming simple planar molecules and cage-like fullerenes. Theoretical studies predict that two-dimensional (2D) boron sheets will adopt an atomic configuration similar to that of boron atomic clusters. We synthesized atomically thin, crystalline 2D boron sheets (i.e., borophene) on silver surfaces under ultrahigh-vacuum conditions. Atomic-scale characterization, supported by theoretical calculations, revealed structures reminiscent of fused boron clusters with multiple scales of anisotropic, out-of-plane buckling. Unlike bulk boron allotropes, borophene shows metallic characteristics that are consistent with predictions of a highly anisotropic, 2D metal.
Field analysis of two-dimensional focusing grating
Borsboom, P.P.; Frankena, H.J.
1995-01-01
The method that we have developed [P-P. Borsboom, Ph.D. dissertation (Delft University of Technology, Delft, The Netherlands); P-P. Borsboom and H. J. Frankena, J. Opt. Soc. Am. A 12, 1134–1141 (1995)] is successfully applied to a two-dimensional focusing grating coupler. The field in the focal region has been determined for symmetrical chirped gratings consisting of as many as 124 corrugations. The intensity distribution in the focal region agrees well with the approximate predictions of geo...
Wigner functions from the two-dimensional wavelet group.
Ali, S T; Krasowska, A E; Murenzi, R
2000-12-01
Following a general procedure developed previously [Ann. Henri Poincaré 1, 685 (2000)], here we construct Wigner functions on a phase space related to the similitude group in two dimensions. Since the group space in this case is topologically homeomorphic to the phase space in question, the Wigner functions so constructed may also be considered as being functions on the group space itself. Previously the similitude group was used to construct wavelets for two-dimensional image analysis; we discuss here the connection between the wavelet transform and the Wigner function.
Pattern formation in two-dimensional square-shoulder systems
International Nuclear Information System (INIS)
Fornleitner, Julia; Kahl, Gerhard
2010-01-01
Using a highly efficient and reliable optimization tool that is based on ideas of genetic algorithms, we have systematically studied the pattern formation of the two-dimensional square-shoulder system. An overwhelming wealth of complex ordered equilibrium structures emerge from this investigation as we vary the shoulder width. With increasing pressure three structural archetypes could be identified: cluster lattices, where clusters of particles occupy the sites of distorted hexagonal lattices, lane formation, and compact particle arrangements with high coordination numbers. The internal complexity of these structures increases with increasing shoulder width.
Pattern formation in two-dimensional square-shoulder systems
Energy Technology Data Exchange (ETDEWEB)
Fornleitner, Julia [Institut fuer Festkoerperforschung, Forschungsszentrum Juelich, D-52425 Juelich (Germany); Kahl, Gerhard, E-mail: fornleitner@cmt.tuwien.ac.a [Institut fuer Theoretische Physik and Centre for Computational Materials Science (CMS), Technische Universitaet Wien, Wiedner Hauptstrasse 8-10, A-1040 Wien (Austria)
2010-03-17
Using a highly efficient and reliable optimization tool that is based on ideas of genetic algorithms, we have systematically studied the pattern formation of the two-dimensional square-shoulder system. An overwhelming wealth of complex ordered equilibrium structures emerge from this investigation as we vary the shoulder width. With increasing pressure three structural archetypes could be identified: cluster lattices, where clusters of particles occupy the sites of distorted hexagonal lattices, lane formation, and compact particle arrangements with high coordination numbers. The internal complexity of these structures increases with increasing shoulder width.
Human muscle proteins: analysis by two-dimensional electrophoresis
Energy Technology Data Exchange (ETDEWEB)
Giometti, C.S.; Danon, M.J.; Anderson, N.G.
1983-09-01
Proteins from single frozen sections of human muscle were separated by two-dimensional gel electrophoresis and detected by fluorography or Coomassie Blue staining. The major proteins were identical in different normal muscles obtained from either sex at different ages, and in Duchenne and myotonic dystrophy samples. Congenital myopathy denervation atrophy, polymyositis, and Becker's muscular dystrophy samples, however, showed abnormal myosin light chain compositions, some with a decrease of fast-fiber myosin light chains and others with a decrease of slow-fiber light chains. These protein alterations did not correlate with any specific disease, and may be cause by generalized muscle-fiber damage.
Cavalier perspective plots of two-dimensional matrices. Program Stereo
International Nuclear Information System (INIS)
Los Arcos Merino, J.M.
1978-01-01
The program Stereo allows representation of a two-dimensional matrix containing numerical data, in the form of a cavalier perspective, isometric or not, with an angle variable between 0 deg and 180 deg. The representation is in histogram form for each matrix row and those curves which fall behind higher curves and therefore would not be seen are suppressed. It has been written in Fortran V for a Calcomp-936 digital plotter operating off-line with a Univac 1106 computer. Drawing method, subroutine structure and running instructions are described in this paper. (author)
Bosonization in a two-dimensional Riemann Cartan geometry
International Nuclear Information System (INIS)
Denardo, G.; Spallucci, E.
1987-01-01
We study the vacuum functional for a Dirac field in a two dimensional Riemann-Cartan geometry. Torsion is treated as a quantum variable while the metric is considered as a classical background field. Decoupling spinors from the non-Riemannian part of the geometry introduces a chiral Jacobian into the vacuum generating functional. We compute this functional Jacobian determinant by means of the Alvarez method. Finally, we show that the effective action for the background geometry is of the Liouville type and does not preserve any memory of the initial torsion field. (author)
Periodic trajectories for two-dimensional nonintegrable Hamiltonians
International Nuclear Information System (INIS)
Davies, K.T.R.
1990-02-01
I want to report on some calculations of classical periodic trajectories in a two-dimensional nonintegrable potential. After a brief introduction, I will present some details of the theory. The main part of this report will be devoted to showing pictures of the various families of trajectories and to discussing the topology (in E-τ space) and branching behavior of these families. Then I will demonstrate the connection between periodic trajectories and ''nearby'' nonperiodic trajectories, which nicely illustrates the relationship of this work to chaos. Finally, I will discuss very briefly how periodic trajectories can be used to calculate tori. 12 refs., 40 figs
Optical Two Dimensional Fourier Transform Spectroscopy of Layered Metal Dichalcogenides
Dey, P.; Paul, J.; Stevens, C. E.; Kovalyuk, Z. D.; Kudrynskyi, Z. R.; Romero, A. H.; Cantarero, A.; Hilton, D. J.; Shan, J.; Karaiskaj, D.; Z. D. Kovalyuk; Z. R. Kudrynskyi Collaboration; A. H. Romero Collaboration; A. Cantarero Collaboration; D. J. Hilton Collaboration; J. Shan Collaboration
2015-03-01
Nonlinear two-dimensional Fourier transform (2DFT) measurements were used to study the mechanism of excitonic dephasing and probe the electronic structure of the excitonic ground state in layered metal dichalcogenides. Temperature-dependent 2DFT measurements were performed to probe exciton-phonon interactions. Excitation density dependent 2DFT measurements reveal exciton-exciton and exciton-carrier scattering, and the lower limit for the homogeneous linewidth of excitons on positively and negatively doped samples. U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award DE-SC0012635.
Two-dimensional collapse calculations of cylindrical clouds
International Nuclear Information System (INIS)
Bastien, P.; Mitalas, R.
1979-01-01
A two-dimensional hydrodynamic computer code has been extensively modified and expanded to study the collapse of non-rotating interstellar clouds. The physics and the numerical methods involved are discussed. The results are presented and discussed in terms of the Jeans number. The critical Jeans number for collapse of non-rotating cylindrical clouds whose length is the same as their diameter is 1.00. No evidence for fragmentation has been found for these clouds, but fragmentation seems quite likely for more elongated cylindrical clouds. (author)
Graphene and Two-Dimensional Materials for Optoelectronic Applications
Directory of Open Access Journals (Sweden)
Andreas Bablich
2016-03-01
Full Text Available This article reviews optoelectronic devices based on graphene and related two-dimensional (2D materials. The review includes basic considerations of process technology, including demonstrations of 2D heterostructure growth, and comments on the scalability and manufacturability of the growth methods. We then assess the potential of graphene-based transparent conducting electrodes. A major part of the review describes photodetectors based on lateral graphene p-n junctions and Schottky diodes. Finally, the progress in vertical devices made from 2D/3D heterojunctions, as well as all-2D heterostructures is discussed.
Poincare' maps of impulsed oscillators and two-dimensional dynamics
International Nuclear Information System (INIS)
Lupini, R.; Lenci, S.; Gardini, L.; Urbino Univ.
1996-01-01
The Poincare' map of one-dimensional linear oscillators subject to periodic, non-linear and time-delayed impulses is shown to reduce to a family of plane maps with possible non-uniqueness of the inverse. By restricting the analysis to a convenient form of the impulse function, a variety of interesting dynamical behaviours in this family are pointed out, including multistability and homoclinic bifurcations. Critical curves of two-dimensional endomorphisms are used to identify the structure of absorbing areas and their bifurcations
Inverse radiative transfer problems in two-dimensional heterogeneous media
International Nuclear Information System (INIS)
Tito, Mariella Janette Berrocal
2001-01-01
The analysis of inverse problems in participating media where emission, absorption and scattering take place has several relevant applications in engineering and medicine. Some of the techniques developed for the solution of inverse problems have as a first step the solution of the direct problem. In this work the discrete ordinates method has been used for the solution of the linearized Boltzmann equation in two dimensional cartesian geometry. The Levenberg - Marquardt method has been used for the solution of the inverse problem of internal source and absorption and scattering coefficient estimation. (author)
Two-Dimensional One-Component Plasma on Flamm's Paraboloid
Fantoni, Riccardo; Téllez, Gabriel
2008-11-01
We study the classical non-relativistic two-dimensional one-component plasma at Coulomb coupling Γ=2 on the Riemannian surface known as Flamm's paraboloid which is obtained from the spatial part of the Schwarzschild metric. At this special value of the coupling constant, the statistical mechanics of the system are exactly solvable analytically. The Helmholtz free energy asymptotic expansion for the large system has been found. The density of the plasma, in the thermodynamic limit, has been carefully studied in various situations.
Morphology of bipolar planetary nebulae. I. Two-dimensional spectrophotometry
International Nuclear Information System (INIS)
Pascoli, G.
1990-01-01
Two-dimensional spectrophotometric observations of bipolar planetary nebulae were performed by using a CCD detector mounted at the Cassegrain focus of either 1.54 m Danish Telescope or 2.2 m German Telescope at La Silla (ESO) in Chile. Emission lines have been selected with the help of narrow band-pass interference filters (Δλ∼ 10 - 20 A). Isophotal maps in various lines Hα, [NII] λ 6584, [OIII] λ 5007 and [SII] λλ 6717-6731 are presented. Particular attention has been given to scrutinize the symmetries inside a few bipolar planetary nebulae, in order to subsequently investigate their space structure
Gibbs perturbations of a two-dimensional gauge field
International Nuclear Information System (INIS)
Petrova, E.N.
1981-01-01
Small Gibbs perturbations of random fields have been investigated up to now for a few initial fields only. Among them there are independent fields, Gaussian fields and some others. The possibility for the investigation of Gibbs modifications of a random field depends essentially on the existence of good estimates for semiinvariants of this field. This is the reason why the class of random fields for which the investigation of Gibbs perturbations with arbitrary potential of bounded support is possible is rather small. The author takes as initial a well-known model: a two-dimensional gauge field. (Auth.)
Saddle-points of a two dimensional random lattice theory
International Nuclear Information System (INIS)
Pertermann, D.
1985-07-01
A two dimensional random lattice theory with a free massless scalar field is considered. We analyse the field theoretic generating functional for any given choice of positions of the lattice sites. Asking for saddle-points of this generating functional with respect to the positions we find the hexagonal lattice and a triangulated version of the hypercubic lattice as candidates. The investigation of the neighbourhood of a single lattice site yields triangulated rectangles and regular polygons extremizing the above generating functional on the local level. (author)
Minimal quantization of two-dimensional models with chiral anomalies
International Nuclear Information System (INIS)
Ilieva, N.
1987-01-01
Two-dimensional gauge models with chiral anomalies - ''left-handed'' QED and the chiral Schwinger model, are quantized consistently in the frames of the minimal quantization method. The choice of the cone time as a physical time for system of quantization is motivated. The well-known mass spectrum is found but with a fixed value of the regularization parameter a=2. Such a unique solution is obtained due to the strong requirement of consistency of the minimal quantization that reflects in the physically motivated choice of the time axis
Two-dimensional N = 2 Super-Yang-Mills Theory
August, Daniel; Wellegehausen, Björn; Wipf, Andreas
2018-03-01
Supersymmetry is one of the possible scenarios for physics beyond the standard model. The building blocks of this scenario are supersymmetric gauge theories. In our work we study the N = 1 Super-Yang-Mills (SYM) theory with gauge group SU(2) dimensionally reduced to two-dimensional N = 2 SYM theory. In our lattice formulation we break supersymmetry and chiral symmetry explicitly while preserving R symmetry. By fine tuning the bar-mass of the fermions in the Lagrangian we construct a supersymmetric continuum theory. To this aim we carefully investigate mass spectra and Ward identities, which both show a clear signal of supersymmetry restoration in the continuum limit.
Mixed-symmetry superconductivity in two-dimensional Fermi liquids
International Nuclear Information System (INIS)
Musaelian, K.A.; Betouras, J.; Chubukov, A.V.; Joynt, R.
1996-01-01
We consider a two-dimensional (2D) isotropic Fermi liquid with attraction in both s and d channels and examine the possibility of a superconducting state with mixed s and d symmetry of the gap function. We show that both in the weak-coupling limit and at strong coupling, a mixed s+id symmetry state is realized in a certain range of interaction. Phase transitions between the mixed and the pure symmetry states are second order. We also show that there is no stable mixed s+d symmetry state at any coupling. copyright 1996 The American Physical Society
Two dimensional topological insulator in quantizing magnetic fields
Olshanetsky, E. B.; Kvon, Z. D.; Gusev, G. M.; Mikhailov, N. N.; Dvoretsky, S. A.
2018-05-01
The effect of quantizing magnetic field on the electron transport is investigated in a two dimensional topological insulator (2D TI) based on a 8 nm (013) HgTe quantum well (QW). The local resistance behavior is indicative of a metal-insulator transition at B ≈ 6 T. On the whole the experimental data agrees with the theory according to which the helical edge states transport in a 2D TI persists from zero up to a critical magnetic field Bc after which a gap opens up in the 2D TI spectrum.
Anisotropic mass density by two-dimensional acoustic metamaterials
Energy Technology Data Exchange (ETDEWEB)
Torrent, Daniel; Sanchez-Dehesa, Jose [Wave Phenomena Group, Department of Electronic Engineering, Polytechnic University of Valencia, C/Camino de Vera s/n, E-46022 Valencia (Spain)], E-mail: jsdehesa@upvnet.upv.es
2008-02-15
We show that specially designed two-dimensional arrangements of full elastic cylinders embedded in a nonviscous fluid or gas define (in the homogenization limit) a new class of acoustic metamaterials characterized by a dynamical effective mass density that is anisotropic. Here, analytic expressions for the dynamical mass density and the effective sound velocity tensors are derived in the long wavelength limit. Both show an explicit dependence on the lattice filling fraction, the elastic properties of cylinders relative to the background, their positions in the unit cell, and their multiple scattering interactions. Several examples of these metamaterials are reported and discussed.
The Penalty Cost Functional for the Two-Dimensional
Directory of Open Access Journals (Sweden)
Victor Onomza WAZIRI
2006-07-01
Full Text Available This paper constructs the penalty cost functional for optimizing the two-dimensional control operator of the energized wave equation. In some multiplier methods such as the Lagrange multipliers and Pontrygean maximum principle, the cost of merging the constraint equation to the integral quadratic objective functional to obtain an unconstraint equation is normally guessed or obtained from the first partial derivatives of the unconstrained equation. The Extended Conjugate Gradient Method (ECGM necessitates that the penalty cost be sequentially obtained algebraically. The ECGM problem contains a functional which is completely given in terms of state and time spatial dependent variables.
Wave dispersion relations in two-dimensional Yukawa systems
International Nuclear Information System (INIS)
Liu Yanhong; Liu Bin; Chen Yanping; Yang Size; Wang Long; Wang Xiaogang
2003-01-01
Collective modes in a two-dimensional Yukawa system are investigated by molecular dynamics simulation in a wide range of coupling parameter Γ and screening strength κ. The dispersion relations and sound speeds of the transverse and longitudinal waves obtained for hexagonal lattice are in agreement with the theoretical results. The negative dispersion of the longitudinal wave is demonstrated. Frequency gaps are found on the dispersion curves of the transverse wave due to scattering of the waves on lattice defects for proper values of Γ. The common frequency of transverse and longitudinal waves drops dramatically with the increasing screening strength κ
Autocorrelation based reconstruction of two-dimensional binary objects
International Nuclear Information System (INIS)
Mejia-Barbosa, Y.; Castaneda, R.
2005-10-01
A method for reconstructing two-dimensional binary objects from its autocorrelation function is discussed. The objects consist of a finite set of identical elements. The reconstruction algorithm is based on the concept of class of element pairs, defined as the set of element pairs with the same separation vector. This concept allows to solve the redundancy introduced by the element pairs of each class. It is also shown that different objects, consisting of an equal number of elements and the same classes of pairs, provide Fraunhofer diffraction patterns with identical intensity distributions. However, the method predicts all the possible objects that produce the same Fraunhofer pattern. (author)
Linear and nonlinear viscous flow in two-dimensional fluids
International Nuclear Information System (INIS)
Gravina, D.; Ciccotti, G.; Holian, B.L.
1995-01-01
We report on molecular dynamics simulations of shear viscosity η of a dense two-dimensional fluid as a function of the shear rate γ. We find an analytic dependence of η on γ, and do not find any evidence whatsoever of divergence in the Green-Kubo (GK) value that would be caused by the well-known long-time tail for the shear-stress autocorrelation function, as predicted by the mode-coupling theory. In accordance with the linear response theory, the GK value of η agrees remarkably well with nonequilibrium values at small shear rates. (c) 1995 The American Physical Society
BRST quantization of Polyakov's two-dimensional gravity
International Nuclear Information System (INIS)
Itoh, Katsumi
1990-01-01
Two-dimensional gravity coupled to minimal models is quantized in the chiral gauge by the BRST method. By using the Wakimoto construction for the gravity sector, we show how the quartet mechanism of Kugo and Ojima works and solve the physical state condition. As a result the positive semi-definiteness of the physical subspace is shown. The formula of Knizhnik et al. for gravitational scaling dimensions is rederived from the physical state condition. We also observe a relation between the chiral gauge and the conformal gauge. (orig.)
Confinement and dynamical regulation in two-dimensional convective turbulence
DEFF Research Database (Denmark)
Bian, N.H.; Garcia, O.E.
2003-01-01
In this work the nature of confinement improvement implied by the self-consistent generation of mean flows in two-dimensional convective turbulence is studied. The confinement variations are linked to two distinct regulation mechanisms which are also shown to be at the origin of low......-frequency bursting in the fluctuation level and the convective heat flux integral, both resulting in a state of large-scale intermittency. The first one involves the control of convective transport by sheared mean flows. This regulation relies on the conservative transfer of kinetic energy from tilted fluctuations...
Two-dimensional approach to relativistic positioning systems
International Nuclear Information System (INIS)
Coll, Bartolome; Ferrando, Joan Josep; Morales, Juan Antonio
2006-01-01
A relativistic positioning system is a physical realization of a coordinate system consisting in four clocks in arbitrary motion broadcasting their proper times. The basic elements of the relativistic positioning systems are presented in the two-dimensional case. This simplified approach allows to explain and to analyze the properties and interest of these new systems. The positioning system defined by geodesic emitters in flat metric is developed in detail. The information that the data generated by a relativistic positioning system give on the space-time metric interval is analyzed, and the interest of these results in gravimetry is pointed out
Nonlinear excitations in two-dimensional molecular structures with impurities
DEFF Research Database (Denmark)
Gaididei, Yuri Borisovich; Rasmussen, Kim; Christiansen, Peter Leth
1995-01-01
We study the nonlinear dynamics of electronic excitations interacting with acoustic phonons in two-dimensional molecular structures with impurities. We show that the problem is reduced to the nonlinear Schrodinger equation with a varying coefficient. The latter represents the influence...... of the impurity. Transforming the equation to the noninertial frame of reference coupled with the center of mass we investigate the soliton behavior in the close vicinity of the impurity. With the help of the lens transformation we show that the soliton width is governed by an Ermakov-Pinney equation. We also...... excitations. Analytical results are in good agreement with numerical simulations of the nonlinear Schrodinger equation....
International Nuclear Information System (INIS)
Quan, Xu; Qiang, Tian
2009-01-01
This paper discusses the two-dimensional discrete monatomic Fermi–Pasta–Ulam lattice, by using the method of multiple-scale and the quasi-discreteness approach. By taking into account the interaction between the atoms in the lattice and their nearest neighbours, it obtains some classes of two-dimensional local models as follows: two-dimensional bright and dark discrete soliton trains, two-dimensional bright and dark line discrete breathers, and two-dimensional bright and dark discrete breather. (condensed matter: structure, thermal and mechanical properties)
International Nuclear Information System (INIS)
Kwiatkowski, Witek; Riek, Roland
2003-01-01
The paper presents an alternative technique for chemical shift monitoring in a multi-dimensional NMR experiment. The monitored chemical shift is coded in the line-shape of a cross-peak through an apparent residual scalar coupling active during an established evolution period or acquisition. The size of the apparent scalar coupling is manipulated with an off-resonance radio-frequency pulse in order to correlate the size of the coupling with the position of the additional chemical shift. The strength of this concept is that chemical shift information is added without an additional evolution period and accompanying polarization transfer periods. This concept was incorporated into the three-dimensional triple-resonance experiment HNCA, adding the information of 1 H α chemical shifts. The experiment is called HNCA coded HA, since the chemical shift of 1 H α is coded in the line-shape of the cross-peak along the 13 C α dimension
A microprocessor based on a two-dimensional semiconductor
Wachter, Stefan; Polyushkin, Dmitry K.; Bethge, Ole; Mueller, Thomas
2017-04-01
The advent of microcomputers in the 1970s has dramatically changed our society. Since then, microprocessors have been made almost exclusively from silicon, but the ever-increasing demand for higher integration density and speed, lower power consumption and better integrability with everyday goods has prompted the search for alternatives. Germanium and III-V compound semiconductors are being considered promising candidates for future high-performance processor generations and chips based on thin-film plastic technology or carbon nanotubes could allow for embedding electronic intelligence into arbitrary objects for the Internet-of-Things. Here, we present a 1-bit implementation of a microprocessor using a two-dimensional semiconductor--molybdenum disulfide. The device can execute user-defined programs stored in an external memory, perform logical operations and communicate with its periphery. Our 1-bit design is readily scalable to multi-bit data. The device consists of 115 transistors and constitutes the most complex circuitry so far made from a two-dimensional material.
Growth and characterization of two-dimensional nanostructures
International Nuclear Information System (INIS)
Herrera Sancho, Oscar Andrey
2008-01-01
Two dimensional nanostructures of palladium, nickel, silver and gadolinium were grown by means of physical evaporation in atmospheres of high vacuum and ultra high vacuum. The qualitative characterization, in situ, of the nanostructures was carried out with techniques of surface analysis: Auger electron spectroscopy and X-ray photoelectron spectroscopy (XPS). The model for the quantification of contaminants in the nanostructures, was proposed by Seah and Shirley, and was made using the spectra XPS measured in situ in the atmospheres of vacuum. For the two-dimensional nanostructures of gadolinium of thicknesses 8 Å, 16 Å, 24 Å, 32 Å, 36 Å, 44 Å, 50 Å, 61 Å, 77 Å, 81 Å, 92 Å and 101 Å, were obtained optical spectra of transmission measured in situ. An band of absorption centered at approximately 2,40 eV is obtained by an increase in the dynamic conductivity from the optical constants, i.e. refractive index and extinction coefficient, of the nanostructure of gadolinium. In addition, the optical constants for the gadolinium nanostructures have presented a maximum of 80 Å of thickness and then it was continued a decreasing tendency toward the values that were reported in the literature for bulk of gadolinium. (author) [es
Strain-engineered growth of two-dimensional materials.
Ahn, Geun Ho; Amani, Matin; Rasool, Haider; Lien, Der-Hsien; Mastandrea, James P; Ager Iii, Joel W; Dubey, Madan; Chrzan, Daryl C; Minor, Andrew M; Javey, Ali
2017-09-20
The application of strain to semiconductors allows for controlled modification of their band structure. This principle is employed for the manufacturing of devices ranging from high-performance transistors to solid-state lasers. Traditionally, strain is typically achieved via growth on lattice-mismatched substrates. For two-dimensional (2D) semiconductors, this is not feasible as they typically do not interact epitaxially with the substrate. Here, we demonstrate controlled strain engineering of 2D semiconductors during synthesis by utilizing the thermal coefficient of expansion mismatch between the substrate and semiconductor. Using WSe 2 as a model system, we demonstrate stable built-in strains ranging from 1% tensile to 0.2% compressive on substrates with different thermal coefficient of expansion. Consequently, we observe a dramatic modulation of the band structure, manifested by a strain-driven indirect-to-direct bandgap transition and brightening of the dark exciton in bilayer and monolayer WSe 2 , respectively. The growth method developed here should enable flexibility in design of more sophisticated devices based on 2D materials.Strain engineering is an essential tool for modifying local electronic properties in silicon-based electronics. Here, Ahn et al. demonstrate control of biaxial strain in two-dimensional materials based on the growth substrate, enabling more complex low-dimensional electronics.
Thermal expansion of two-dimensional itinerant nearly ferromagnetic metal
International Nuclear Information System (INIS)
Konno, R; Hatayama, N; Takahashi, Y; Nakano, H
2009-01-01
Thermal expansion of two-dimensional itinerant nearly ferromagnetic metal is investigated according to the recent theoretical development of magneto-volume effect for the three-dimensional weak ferromagnets. We particularly focus on the T 2 -linear thermal expansion of magnetic origin at low temperatures, so far disregarded by conventional theories. As the effect of thermal spin fluctuations we have found that the T-linear thermal expansion coefficient shows strong enhancement by assuming the double Lorentzian form of the non-interacting dynamical susceptibility justified in the small wave-number and low frequency region. It grows faster in proportional to y -1/2 as we approach the magnetic instability point than two-dimensional nearly antiferromagnetic metals with ln(1/y s ) dependence, where y and y s are the inverses of the reduced uniform and staggered magnetic susceptibilities, respectively. Our result is consistent with the Grueneisen's relation between the thermal expansion coefficient and the specific heat at low temperatures. In 2-dimensional electron gas we find that the thermal expansion coefficient is divergent with a finite y when the higher order term of non-interacting dynamical susceptibility is taken into account.
Emergence of geometry: A two-dimensional toy model
International Nuclear Information System (INIS)
Alfaro, Jorge; Espriu, Domene; Puigdomenech, Daniel
2010-01-01
We review the similarities between the effective chiral Lagrangrian, relevant for low-energy strong interactions, and the Einstein-Hilbert action. We use these analogies to suggest a specific mechanism whereby gravitons would emerge as Goldstone bosons of a global SO(D)xGL(D) symmetry broken down to SO(D) by fermion condensation. We propose a two-dimensional toy model where a dynamical zweibein is generated from a topological theory without any preexisting metric structure, the space being endowed only with an affine connection. A metric appears only after the symmetry breaking; thus the notion of distance is an induced effective one. In spite of several nonstandard features this simple toy model appears to be renormalizable and at long distances is described by an effective Lagrangian that corresponds to that of two-dimensional gravity (Liouville theory). The induced cosmological constant is related to the dynamical mass M acquired by the fermion fields in the breaking, which also acts as an infrared regulator. The low-energy expansion is valid for momenta k>M, i.e. for supra-horizon scales. We briefly discuss a possible implementation of a similar mechanism in four dimensions.
Chimera patterns in two-dimensional networks of coupled neurons
Schmidt, Alexander; Kasimatis, Theodoros; Hizanidis, Johanne; Provata, Astero; Hövel, Philipp
2017-03-01
We discuss synchronization patterns in networks of FitzHugh-Nagumo and leaky integrate-and-fire oscillators coupled in a two-dimensional toroidal geometry. A common feature between the two models is the presence of fast and slow dynamics, a typical characteristic of neurons. Earlier studies have demonstrated that both models when coupled nonlocally in one-dimensional ring networks produce chimera states for a large range of parameter values. In this study, we give evidence of a plethora of two-dimensional chimera patterns of various shapes, including spots, rings, stripes, and grids, observed in both models, as well as additional patterns found mainly in the FitzHugh-Nagumo system. Both systems exhibit multistability: For the same parameter values, different initial conditions give rise to different dynamical states. Transitions occur between various patterns when the parameters (coupling range, coupling strength, refractory period, and coupling phase) are varied. Many patterns observed in the two models follow similar rules. For example, the diameter of the rings grows linearly with the coupling radius.
Comprehensive two-dimensional liquid chromatographic analysis of poloxamers.
Malik, Muhammad Imran; Lee, Sanghoon; Chang, Taihyun
2016-04-15
Poloxamers are low molar mass triblock copolymers of poly(ethylene oxide) (PEO) and poly(propylene oxide) (PPO), having number of applications as non-ionic surfactants. Comprehensive one and two-dimensional liquid chromatographic (LC) analysis of these materials is proposed in this study. The separation of oligomers of both types (PEO and PPO) is demonstrated for several commercial poloxamers. This is accomplished at the critical conditions for one of the block while interaction for the other block. Reversed phase LC at CAP of PEO allowed for oligomeric separation of triblock copolymers with regard to PPO block whereas normal phase LC at CAP of PPO renders oligomeric separation with respect to PEO block. The oligomeric separation with regard to PEO and PPO are coupled online (comprehensive 2D-LC) to reveal two-dimensional contour plots by unconventional 2D IC×IC (interaction chromatography) coupling. The study provides chemical composition mapping of both PEO and PPO, equivalent to combined molar mass and chemical composition mapping for several commercial poloxamers. Copyright © 2016 Elsevier B.V. All rights reserved.
Aspects of jamming in two-dimensional athermal frictionless systems.
Reichhardt, C; Reichhardt, C J Olson
2014-05-07
In this work we provide an overview of jamming transitions in two dimensional systems focusing on the limit of frictionless particle interactions in the absence of thermal fluctuations. We first discuss jamming in systems with short range repulsive interactions, where the onset of jamming occurs at a critical packing density and where certain quantities show a divergence indicative of critical behavior. We describe how aspects of the dynamics change as the jamming density is approached and how these dynamics can be explored using externally driven probes. Different particle shapes can produce jamming densities much lower than those observed for disk-shaped particles, and we show how jamming exhibits fragility for some shapes while for other shapes this is absent. Next we describe the effects of long range interactions and jamming behavior in systems such as charged colloids, vortices in type-II superconductors, and dislocations. We consider the effect of adding obstacles to frictionless jamming systems and discuss connections between this type of jamming and systems that exhibit depinning transitions. Finally, we discuss open questions such as whether the jamming transition in all these different systems can be described by the same or a small subset of universal behaviors, as well as future directions for studies of jamming transitions in two dimensional systems, such as jamming in self-driven or active matter systems.
Two-Dimensional Impact Reconstruction Method for Rail Defect Inspection
Directory of Open Access Journals (Sweden)
Jie Zhao
2014-01-01
Full Text Available The safety of train operating is seriously menaced by the rail defects, so it is of great significance to inspect rail defects dynamically while the train is operating. This paper presents a two-dimensional impact reconstruction method to realize the on-line inspection of rail defects. The proposed method utilizes preprocessing technology to convert time domain vertical vibration signals acquired by wireless sensor network to space signals. The modern time-frequency analysis method is improved to reconstruct the obtained multisensor information. Then, the image fusion processing technology based on spectrum threshold processing and node color labeling is proposed to reduce the noise, and blank the periodic impact signal caused by rail joints and locomotive running gear. This method can convert the aperiodic impact signals caused by rail defects to partial periodic impact signals, and locate the rail defects. An application indicates that the two-dimensional impact reconstruction method could display the impact caused by rail defects obviously, and is an effective on-line rail defects inspection method.