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Sample records for density gradient separation

  1. Separation of colloidal two dimensional materials by density gradient ultracentrifugation

    Energy Technology Data Exchange (ETDEWEB)

    Kuang, Yun; Song, Sha [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029 (China); Huang, Jinyang, E-mail: huangjy@mail.buct.edu.cn [Department of Mathematics, College of Science, Beijing University of Chemical Technology, Beijing 100029 (China); Sun, Xiaoming, E-mail: sunxm@mail.buct.edu.cn [State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing 100029 (China)

    2015-04-15

    Two-dimensional (2D) materials have been made through various approaches but obtaining monodispersed simply by synthesis optimization gained little success, which highlighted the need for introducing nanoseparation methods. Density gradient ultracentrifugation method has emerged as a versatile and scalable method for sorting colloidal 2D nanomaterials. Isopycnic separation was applied on thickness-dependent separation of graphene nanosheets. And rate-zonal separation, as a more versatile separation method, demonstrated its capability in sorting nanosheets of chemically modified single layered graphene, layered double hydroxide, and even metallic Ag. Establishing such density gradient ultracentrifugation method not only achieves monodispersed nanosheets and provides new opportunities for investigation on size dependent properties of 2D materials, but also makes the surface modification possible by introducing “reaction zones” during sedimentation of the colloids. - Graphical abstract: Two-dimensional (2D) materials have been made through various approaches but obtaining monodispersed simply by synthesis optimization gained little success, which highlighted the need for introducing nanoseparation methods. Density gradient ultracentrifugation method has emerged as a versatile and scalable method for sorting colloidal 2D nanomaterials according to their size of thickness difference. Establishing such density gradient ultracentrifugation method not only achieves monodispersed nanosheets and provides new opportunities for investigation on size dependent properties of 2D materials, but also makes the surface modification possible by introducing “reaction zones” during sedimentation of the colloids. - Highlights: • Density gradient ultracentrifugation was applied on size separation of 2D material. • Isopycnic separation was applied on separation of low density materials. • Rate-zonal separation was applied on separation of large density materials. • Size

  2. Density-gradient-assisted centrifugal microfluidics: an approach to continuous-mode particle separation.

    Science.gov (United States)

    Ukita, Yoshiaki; Oguro, Takayuki; Takamura, Yuzuru

    2017-06-01

    Centrifugal microfluidics has been recognized as a promising pumping method in microfluidics because of its simplicity, easiness of automation, and parallel processing. However, the patterning of stripe flow in centrifugal microfluidics is challenging because a fluid is significantly affected by the Coriolis force, which produces an intrinsic secondary flow. This paper reports a technical and design strategy for centrifugal microfluidics called "density-gradient-assisted centrifugal microfluidics." The flow behavior is observed with the presence of a density gradient and without a density gradient in two concentrically traveling phase flows. As a result, clear stripe flow pattern is observed with a density difference of 0.05 g/cm(3) between water and a percoll solution at a flow rate of 11.8 μl/s (7 ml/10 min) and spinning speed of 3000 rpm. In contrast, without a density gradient, it is necessary to reduce the flow rate and spinning speed to 0.1 μl/s and 1000 rpm, respectively. This paper also presents the use of a density gradient to assist in focusing resin (polystyrene) particles on the boundary of a stripe flow pattern that consists of water and percoll with different densities. Moreover, the density-based separation and sorting of particles in a mixed particle suspension is demonstrated. Polystyrene is selectively focused on the boundary, but silica particles are separated from the focused trajectory due to a difference in density. The separated particles are continuously sorted into different reservoirs with polystyrene and silica separation efficiencies of 96.5% and 98.5%, respectively. The pumping, stripe flow pattern formation, particle concentration, and sorting are simultaneously realized by applying a density gradient and centrifugal force. Therefore, this principle can realize a very simple technique for label-free particle separation by just spinning a disk device and can be applied in other applications by the use of the density-gradient

  3. Separation of Bacteria, Protozoa and Carbon Nanotubes by Density Gradient Centrifugation

    Directory of Open Access Journals (Sweden)

    Monika Mortimer

    2016-10-01

    Full Text Available Sustainable production and use of carbon nanotube (CNT-enabled materials require efficient assessment of CNT environmental hazards, including the potential for CNT bioaccumulation and biomagnification in environmental receptors. Microbes, as abundant organisms responsible for nutrient cycling in soil and water, are important ecological receptors for studying the effects of CNTs. Quantification of CNT association with microbial cells requires efficient separation of CNT-associated cells from individually dispersed CNTs and CNT agglomerates. Here, we designed, optimized, and demonstrated procedures for separating bacteria (Pseudomonas aeruginosa from unbound multiwall carbon nanotubes (MWCNTs and MWCNT agglomerates using sucrose density gradient centrifugation. We demonstrate separation of protozoa (Tetrahymena thermophila from MWCNTs, bacterial agglomerates, and protozoan fecal pellets by centrifugation in an iodixanol solution. The presence of MWCNTs in the density gradients after centrifugation was determined by quantification of 14C-labeled MWCNTs; the recovery of microbes from the density gradient media was confirmed by optical microscopy. Protozoan intracellular contents of MWCNTs and of bacteria were also unaffected by the designed separation process. The optimized methods contribute to improved efficiency and accuracy in quantifying MWCNT association with bacteria and MWCNT accumulation in protozoan cells, thus supporting improved assessment of CNT bioaccumulation.

  4. Separation of Bacteria, Protozoa and Carbon Nanotubes by Density Gradient Centrifugation

    Science.gov (United States)

    Mortimer, Monika; Petersen, Elijah J.; Buchholz, Bruce A.; Holden, Patricia A.

    2016-01-01

    Sustainable production and use of carbon nanotube (CNT)-enabled materials require efficient assessment of CNT environmental hazards, including the potential for CNT bioaccumulation and biomagnification in environmental receptors. Microbes, as abundant organisms responsible for nutrient cycling in soil and water, are important ecological receptors for studying the effects of CNTs. Quantification of CNT association with microbial cells requires efficient separation of CNT-associated cells from individually dispersed CNTs and CNT agglomerates. Here, we designed, optimized, and demonstrated procedures for separating bacteria (Pseudomonas aeruginosa) from unbound multiwall carbon nanotubes (MWCNTs) and MWCNT agglomerates using sucrose density gradient centrifugation. We demonstrate separation of protozoa (Tetrahymena thermophila) from MWCNTs, bacterial agglomerates, and protozoan fecal pellets by centrifugation in an iodixanol solution. The presence of MWCNTs in the density gradients after centrifugation was determined by quantification of 14C-labeled MWCNTs; the recovery of microbes from the density gradient media was confirmed by optical microscopy. Protozoan intracellular contents of MWCNTs and of bacteria were also unaffected by the designed separation process. The optimized methods contribute to improved efficiency and accuracy in quantifying MWCNT association with bacteria and MWCNT accumulation in protozoan cells, thus supporting improved assessment of CNT bioaccumulation. PMID:27917301

  5. Separation of arginase isoforms by capillary zone electrophoresis and isoelectric focusing in density gradient column.

    Science.gov (United States)

    Pedrosa, M M; Legaz, M E

    1995-04-01

    Four major arginase isoforms, I, II, III and IV, have been detected in Evernia prunastri thallus. They differ in terms of both physical and biochemical properties. The isoelectric point (pI) of these proteins has been determined by both isoelectric focusing in density gradient column and high-performance capillary electrophoresis (HPCE). Isoelectric focusing revealed charge microheterogeneity for isoforms II and IV whereas arginases I and II had the same pI value of 5.8. HPCE separation confirmed this charge microheterogeneity for isoform IV but not for isoform III, and provided evidence of microheterogeneity for isoforms I and II. The effect of various electrolyte buffers and running conditions on the HPCE separation of arginase isoform were investigated. Addition of 0.5 mM spermidine (SPD) to the running buffer reduced the electroosmotic flow (EOF) and permitted discriminating between the native proteins and protein fragments.

  6. The influence of mineral matter on the separation of amorphous marine kerogens using density gradient centrifugation

    NARCIS (Netherlands)

    Sinninghe Damsté, J.S.; Hartgers, W.A.; Leeuw, J.W. de; Ling, Y.; Crelling, J.C.

    1995-01-01

    Three relatively immature amorphous marine kerogens were subjected to density gradient centrifugation (DGC). The density fractions obtained were analyzed by Curie-point pyrolysis in combination with gas chromatography (Py-GC) and with gas chromatography-mass spectrometry (Py-GC-MS). Despite the

  7. Energy in density gradient

    CERN Document Server

    Vranjes, J

    2015-01-01

    Inhomogeneous plasmas and fluids contain energy stored in inhomogeneity and they naturally tend to relax into lower energy states by developing instabilities or by diffusion. But the actual amount of energy in such inhomogeneities has remained unknown. In the present work the amount of energy stored in a density gradient is calculated for several specific density profiles in a cylindric configuration. This is of practical importance for drift wave instability in various plasmas, and in particular in its application in models dealing with the heating of solar corona because the instability is accompanied with stochastic heating, so the energy contained in inhomogeneity is effectively transformed into heat. It is shown that even for a rather moderate increase of the density at the axis in magnetic structures in the corona by a factor 1.5 or 3, the amount of excess energy per unit volume stored in such a density gradient becomes several orders of magnitude greater than the amount of total energy losses per unit ...

  8. Energy in density gradient

    Energy Technology Data Exchange (ETDEWEB)

    Vranjes, J., E-mail: jvranjes@yahoo.com [Instituto de Astrofísica de Canarias, 38205 La Laguna, Tenerife (Spain); Departamento de Astrofísica, Universidad de La Laguna, 38205 La Laguna, Tenerife (Spain); Kono, M., E-mail: kono@fps.chuo-u.ac.jp [Faculty of Policy Studies, Chuo University, Tokyo (Japan)

    2015-01-15

    Inhomogeneous plasmas and fluids contain energy stored in inhomogeneity and they naturally tend to relax into lower energy states by developing instabilities or by diffusion. But the actual amount of energy in such inhomogeneities has remained unknown. In the present work, the amount of energy stored in a density gradient is calculated for several specific density profiles in a cylindrical configuration. This is of practical importance for drift wave instability in various plasmas, and, in particular, in its application in models dealing with the heating of solar corona because the instability is accompanied with stochastic heating, so the energy contained in inhomogeneity is effectively transformed into heat. It is shown that even for a rather moderate increase of the density at the axis in magnetic structures in the corona by a factor 1.5 or 3, the amount of excess energy per unit volume stored in such a density gradient becomes several orders of magnitude greater than the amount of total energy losses per unit volume (per second) in quiet regions in the corona. Consequently, within the life-time of a magnetic structure such energy losses can easily be compensated by the stochastic drift wave heating.

  9. A protocol for exosome isolation and characterization: evaluation of ultracentrifugation, density-gradient separation, and immunoaffinity capture methods.

    Science.gov (United States)

    Greening, David W; Xu, Rong; Ji, Hong; Tauro, Bow J; Simpson, Richard J

    2015-01-01

    Exosomes are 40-150 nm extracellular vesicles that are released from a multitude of cell types, and perform diverse cellular functions including intercellular communication, antigen presentation, and transfer of tumorigenic proteins, mRNA and miRNA. Exosomes are important regulators of the cellular niche, and their altered characteristics in many diseases, such as cancer, suggest their importance for diagnostic and therapeutic applications, and as drug delivery vehicles. Exosomes have been purified from biological fluids and in vitro cell cultures using a variety of strategies and techniques. In this chapter, we reveal the protocol and key insights into the isolation, purification and characterization of exosomes, distinct from shed microvesicles and apoptotic blebs. Using the colorectal cancer cell line LIM1863 as a cell model, a comprehensive evaluation of exosome isolation methods including ultracentrifugation (UC-Exos), OptiPrep™ density-based separation (DG-Exos), and immunoaffinity capture using anti-EpCAM-coated magnetic beads (IAC-Exos) were examined. All exosome isolation methodologies contained 40-150 nm vesicles based on electron microscopy, and positive for exosome markers (Alix, TSG101, HSP70) based on immunoblotting. This protocol employed a proteomic profiling approach to characterize the protein composition of exosomes, and label-free spectral counting to evaluate the effectiveness of each method in exosome isolation. Based on the number of MS/MS spectra identified for exosome markers and proteins associated with their biogenesis, trafficking, and release, IAC-Exos was shown to be the most effective method to isolate exosomes. However, the use of density-based separation (DG-Exos) provides significant advantages for exosome isolation when the use of immunoaffinity capture is limited (due to antibody availability and suitability of exosome markers).

  10. Gradient Flow Convolutive Blind Source Separation

    DEFF Research Database (Denmark)

    Pedersen, Michael Syskind; Nielsen, Chinton Møller

    2004-01-01

    Experiments have shown that the performance of instantaneous gradient flow beamforming by Cauwenberghs et al. is reduced significantly in reverberant conditions. By expanding the gradient flow principle to convolutive mixtures, separation in a reverberant environment is possible. By use of a circ......Experiments have shown that the performance of instantaneous gradient flow beamforming by Cauwenberghs et al. is reduced significantly in reverberant conditions. By expanding the gradient flow principle to convolutive mixtures, separation in a reverberant environment is possible. By use...

  11. Effects of Density Gradients on Braneworld Stars

    Science.gov (United States)

    Ovalle, Jorge

    During the last few years the braneworld consequences on general relativity have been studied with great interest. The implications in both, cosmological and astrophysics scenarios, have been considered for many authors. However there are some aspects of braneworld consequences which have not been clearly elucidated yet. For instance, the role played for density gradients in the astrophysics scenario is not clear so far, leaving thus the study of braneworld stars as one of the most difficult scenarios. Here it is shown an approach which allows the study of density gradients and their consequences through the Weyl fluid produced inside a stellar distributions. Some general aspects are discussed in detail.

  12. Interplay between transport barriers and density gradient

    Science.gov (United States)

    Sarazin, Y.; Grandgirard, V.; Dif-Pradalier, G.; Garbet, X.; Ghendrih, Ph.

    2006-09-01

    The present paper addresses two critical issues of zonal flows: the evidence of control parameters of their driving term, namely the Reynolds stress, and how they back-react on turbulence and transport. Kinetic nonlinear simulations are performed with the GYSELA code [V. Grandgirard et al., J. Comput. Phys. (to be published)], which models the slab branch of the ion temperature gradient driven instability in the four-dimensional drift-kinetic regime. First, the numerical results show that the gradient of the guiding center density, related to the general potential vorticity, is stabilizing both linearly, by increasing the instability threshold, and nonlinearly, by activating zonal flows. Accordingly, the Reynolds stress is found to scale like LΩ-2 in the quasilinear regime, LΩ being the gradient length of the guiding center density. Second, the local temperature gradient appears to increase linearly with the curvature of the zonal flows, regardless of its sign. Such behavior agrees qualitatively with a perturbative theory. Indeed, while linear eigenmodes are localized at the maximum of the temperature gradient in the absence of zonal flows, they tend to be expelled if both exhibit a maximum at the same location. In this case, the reduction mechanism of the turbulent transport results from the ability of large zonal flow curvatures to render strong temperature gradients stable with respect to perturbations.

  13. GPS, GNSS, and Ionospheric Density Gradients

    Science.gov (United States)

    Kintner, P. M.; O'Hanlon, B.; Humphreys, T. E.

    2009-12-01

    Ionospheric density and density gradients affect GNSS signals in two ways. They can introduce ranging errors or irregularities that form on the density gradients producing scintillation. Here we focus on the issue of ranging errors. There are two approaches to mitigating ranging errors produced by ionospheric density gradients which can be 20-30 m during major magnetic storms. The first approach is to use a reference receiver(s) to determine the ionospheric contribution to ranging errors. The ranging error is then transmitted to the user for correction within the mobile receiver. This approach is frequently referred to as differential GPS and, when multiple reference receivers are used, the system is referred to as an augmentation system. This approach is vulnerable to ionospheric gradients depending on the reference receiver spacing(s) and latency in applying the correction within the mobile receiver. The second approach is to transmit navigation signals at two frequencies and then use the relative delay between the two signals to both estimate the ranging error and calculate the correct range. Currently the dual frequency technique is used by US military receivers with an encryption key and some civilian receivers which must be stationary and average over times long compared to those required for navigation. However, the technology of space based radio navigation is changing. GPS will soon be a system with three frequencies and multiple codes. Furthermore Europe, Russia, and China are developing independent systems to complement and compete with GPS while India and Japan are developing local systems to enhance GPS performance in their regions. In this talk we address two questions. How do density gradients affect augmentation systems including the social consequences and will the new GPS/GNSS systems with multiple civilian frequencies be able to remove ionospheric errors. The answers are not at all clear.

  14. Regularized Multitask Learning for Multidimensional Log-Density Gradient Estimation.

    Science.gov (United States)

    Yamane, Ikko; Sasaki, Hiroaki; Sugiyama, Masashi

    2016-07-01

    Log-density gradient estimation is a fundamental statistical problem and possesses various practical applications such as clustering and measuring nongaussianity. A naive two-step approach of first estimating the density and then taking its log gradient is unreliable because an accurate density estimate does not necessarily lead to an accurate log-density gradient estimate. To cope with this problem, a method to directly estimate the log-density gradient without density estimation has been explored and demonstrated to work much better than the two-step method. The objective of this letter is to improve the performance of this direct method in multidimensional cases. Our idea is to regard the problem of log-density gradient estimation in each dimension as a task and apply regularized multitask learning to the direct log-density gradient estimator. We experimentally demonstrate the usefulness of the proposed multitask method in log-density gradient estimation and mode-seeking clustering.

  15. Isogeometric shape optimization of magnetic density separators

    NARCIS (Netherlands)

    Dang Manh, N.; Evgrafov, A.; Gravesen, J.; Lahaye, D.

    2013-01-01

    Purpose: The waste recycling industry increasingly relies on magnetic density separators. These devices generate an upward magnetic force in ferro-fluids allowing to separate the immersed particles according to their mass density. Recently a new separator design that significantly reduces the requir

  16. Thermoacoustic mixture separation with an axial temperature gradient

    Energy Technology Data Exchange (ETDEWEB)

    Geller, Drew W [Los Alamos National Laboratory; Swift, Gregory A [Los Alamos National Laboratory

    2008-01-01

    The theory of thermoacoustic mixture separation is extended to include the effect of a nonzero axial temperature gradient. The analysis yields a new term in the second-order mole flux that is proportional to the temperature gradient and to the square of the volumetric velocity and is independent of the phasing of the wave. Because of this new term, thermoacoustic separation stops at a critical temperature gradient and changes direction above that gradient. For a traveling wave, this gradient is somewhat higher than that predicted by a simple four-step model. An experiment tests the theory for temperature gradients from 0 to 416 K/m in 50-50 He-Ar mixtures.

  17. Density Gradient Stabilization of Electron Temperature Gradient Driven Turbulence in a Spherical Tokamak

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Y; Mazzucato, E; Guttenfelder, W; Bell, R E; Domier, C W; LeBlanc, B P; Lee, K C; Luhmann Jr, N C; Smith, D R

    2011-03-21

    In this letter we report the first clear experimental observation of density gradient stabilization of electron temperature gradient driven turbulence in a fusion plasma. It is observed that longer wavelength modes, k⊥ρs ≤10, are most stabilized by density gradient, and the stabilization is accompanied by about a factor of two decrease in the plasma effective thermal diffusivity.

  18. Particle transport in density gradient driven TE mode turbulence

    CERN Document Server

    Skyman, Andreas; Strand, P I

    2011-01-01

    The turbulent transport of main ion and trace impurities in a tokamak device in the presence of steep electron density gradients has been studied. The parameters are chosen for trapped electron (TE) mode turbulence, driven primarily by steep electron density gradients relevant to H-mode physics, but with a transition to temperature gradient driven turbulence as the density gradient flattens. Results obtained through non-linear (NL) and quasilinear (QL) gyrokinetic simulations using the GENE code are compared with results obtained from a fluid model. Main ion and impurity transport is studied by examining the balance of convective and diffusive transport, as quantified by the density gradient corresponding to zero particle flux (peaking factor). Scalings are obtained for the impurity peaking with the background electron density gradient and the impurity charge number. It is shown that the impurity peaking factor is weakly dependent on impurity charge and significantly smaller than the driving electron density ...

  19. Isogeometric shape optimization of magnetic density separators

    OpenAIRE

    2013-01-01

    Purpose: The waste recycling industry increasingly relies on magnetic density separators. These devices generate an upward magnetic force in ferro-fluids allowing to separate the immersed particles according to their mass density. Recently a new separator design that significantly reduces the required amount of permanent magnet material has been proposed. The purpose of this paper is to alleviate the undesired end-effects in this design by altering the shape of the ferromagnetic covers of the...

  20. A density gradient theory based method for surface tension calculations

    DEFF Research Database (Denmark)

    Liang, Xiaodong; Michelsen, Michael Locht; Kontogeorgis, Georgios

    2016-01-01

    The density gradient theory has been becoming a widely used framework for calculating surface tension, within which the same equation of state is used for the interface and bulk phases, because it is a theoretically sound, consistent and computationally affordable approach. Based on the observation...... that the optimal density path from the geometric mean density gradient theory passes the saddle point of the tangent plane distance to the bulk phases, we propose to estimate surface tension with an approximate density path profile that goes through this saddle point. The linear density gradient theory, which...... assumes linearly distributed densities between the two bulk phases, has also been investigated. Numerical problems do not occur with these density path profiles. These two approximation methods together with the full density gradient theory have been used to calculate the surface tension of various...

  1. Rapid separation of Arabidopsis male gametophyte developmental stages using a Percoll gradient.

    Science.gov (United States)

    Dupl'áková, Nikoleta; Dobrev, Petre I; Reňák, David; Honys, David

    2016-10-01

    Research investigating the dynamics of male gametophyte (MG) development has proven to be challenging for the plant science community. Here we describe our protocol for separating Arabidopsis MG developmental stages, which is based on the centrifugation of pollen through a discontinuous Percoll concentration gradient. This Percoll gradient can be formed using a pipette, and it does not require a gradient maker. The purity of the isolated developing spores is as high as 70%, and in most separations it is well above 80%. Using this protocol, we can separate four different stages of pollen development-uninucleate microspore (UNM), bicellular pollen (BCP), tricellular immature pollen (TCP) and mature pollen grain (MPG). The duration of the separation procedure, excluding the cutting of flower inflorescences, is 6 h. This is reduced to 4 h when using a vacuum cleaning method to remove the MPGs before the Percoll density separation.

  2. Recycling of WEEE by magnetic density separation

    NARCIS (Netherlands)

    Hu, B.; Giacometti, L.; Di Maio, F.; Rem, P.C.

    2011-01-01

    The paper introduces a new recycling method of WEEE: Magnetic Density Separation. By using this technology, both grade and recovery rate of recycled products are over 90%. Good separations are not only observed in relatively big WEEE samples, but also in samples with smaller sizes or electrical wire

  3. Recycling of WEEE by magnetic density separation

    NARCIS (Netherlands)

    Hu, B.; Giacometti, L.; Di Maio, F.; Rem, P.C.

    2011-01-01

    The paper introduces a new recycling method of WEEE: Magnetic Density Separation. By using this technology, both grade and recovery rate of recycled products are over 90%. Good separations are not only observed in relatively big WEEE samples, but also in samples with smaller sizes or electrical wire

  4. Bull Fertility and Its Relation with Density Gradient Selected Sperm

    Directory of Open Access Journals (Sweden)

    Allouche Lynda ,

    2017-01-01

    Full Text Available Background Sperm selection method is usually used to collect these cells for in vitro-assisted reproduction. Few studies reported the relationship of in vivo fertility and semen parameters after sperm selection; hence, the present study attempted to assess different semen parameters after post-thaw or sperm selection, using density gradient separation BoviPure®, to predict in vivo fertility. Materials and Methods In this experimental study, frozen semen quality of four Montbeliarde bulls were assessed after post-thaw (PT or after sperm selection (SSp, using density gradient separation BoviPure®, to predict the fertility rate in vivo. In addition to PT or SSp, semen was examined for concentration, motility, morphology abnormalities, viability, acrosome and plasma membrane integrities. Fertility was measured as non-return rates within 56 days after the first insemination (NRR or as corrected NRR, expressed as CNRR, to the factors influencing fertility using linear mixed model. Non-parametric Kruskal-Wallis test was performed to compare semen parameter variables. Fertility rates were compared using Chi-square test. Pearson correlation analysis was used to test the relationship between CNRR and semen parameters. Data was analysed using SPSS package program, version 21.0. Results Most of the examined bulls exhibited a high fertility rate (3/4 bulls, 62.1- 81.8% for NRR or 67.2-98.5% for CNRR. Fertility rate, expressed as CNRR, was significantly related to semen parameters after SSp, but not after PT. Thus, CNRR was increased with decrease of total motility, progressive spermatozoa and abaxial implantation frequencies after SSp (r=-0.999, P=0.001; r=-0.990, P=0.010; r=-0.988, P= 0.012, respectively; while, CNRR was decreased with decrease of SSp immotile spermatozoa (r=+0.995, P=0.005, underlying that maximal limit of determined immotile spermatozoa is 47%. Conclusion High frequencies of total and progressive motility spermatozoa, and abaxial

  5. High gradient magnetic filtration and separation. Part 1

    Energy Technology Data Exchange (ETDEWEB)

    Fletcher, D.

    1986-12-01

    This paper reviews the developing role of high gradient magnetic filtration (HGMF), and separation (HGMS). If discusses the relative position of this technique within the context of the general field of magnetic separation. Its future potential and the basic theory behind it is also reviewed. The two processes; HGMF and HGMS are well known and well established fuels used frequently in mineral processing, for example iron ore. Using different techniques and machines a whole host of uses is possible and the paper concludes by outlining the theory behind this whole area. 11 refs.

  6. Gradient elution isotachophoresis for enrichment and separation of biomolecules.

    Science.gov (United States)

    Shackman, Jonathan G; Ross, David

    2007-09-01

    A novel format for performing capillary isotachophoresis (ITP) is described -- gradient elution ITP (GEITP). GEITP merges the recently described electrophoretic separation technique of gradient elution moving boundary electrophoresis (GEMBE) with an ITP enrichment step. GEMBE utilizes a combination of continuous sample injection with a pressure-controlled counterflow; as the counterflow is reduced, analytes are sequentially eluted onto the separation column and detected as boundary interfaces. By incorporating leading electrolytes into the counterflow and terminating electrolytes into the sample matrix, an ionic interface can be formed near the capillary inlet. The discontinuous buffer system forms highly enriched analyte zones outside of the capillary, which are then eluted onto the separation capillary as the counterflow is reduced. Separation of fluorescent analytes was achieved either through discrete electrolyte spacers added to the sample or by using ampholyte mixtures to form a continuum of spacers. As the ITP process occurs off-column, extremely short length separations can be achieved, as demonstrated by a separation in 30 microm. The effects of various parameters on the GEITP enrichment process are investigated, including initial counterflow rates, electric field, leading electrolyte concentration, and counterflow acceleration, which is an adjustable parameter allowing for highly flexible separations. Typical enhancements in limits of detection and sensitivity were greater than 10,000-fold and were achieved in less than 2 min, yielding low-picomolar detection limits using arc lamp illumination and low-cost CCD detection. An optimized system afforded greater than 100,000-fold improvement in detection of carboxyfluorescein in 8 min. Specific examples of enrichment and separation demonstrated include the following: small dye molecules, DNA, amino acid mixtures, and protein mixtures.

  7. High gradient magnetic field microstructures for magnetophoretic cell separation.

    Science.gov (United States)

    Abdel Fattah, Abdel Rahman; Ghosh, Suvojit; Puri, Ishwar K

    2016-08-01

    Microfluidics has advanced magnetic blood fractionation by making integrated miniature devices possible. A ferromagnetic microstructure array that is integrated with a microfluidic channel rearranges an applied magnetic field to create a high gradient magnetic field (HGMF). By leveraging the differential magnetic susceptibilities of cell types contained in a host medium, such as paramagnetic red blood cells (RBCs) and diamagnetic white blood cells (WBCs), the resulting HGMF can be used to continuously separate them without attaching additional labels, such as magnetic beads, to them. We describe the effect of these ferromagnetic microstructure geometries have on the blood separation efficacy by numerically simulating the influence of microstructure height and pitch on the HGMF characteristics and resulting RBC separation. Visualizations of RBC trajectories provide insight into how arrays can be optimized to best separate these cells from a host fluid. Periodic microstructures are shown to moderate the applied field due to magnetic interference between the adjacent teeth of an array. Since continuous microstructures do not similarly weaken the resultant HGMF, they facilitate significantly higher RBC separation. Nevertheless, periodic arrays are more appropriate for relatively deep microchannels since, unlike continuous microstructures, their separation effectiveness is independent of depth. The results are relevant to the design of microfluidic devices that leverage HGMFs to fractionate blood by separating RBCs and WBCs.

  8. Microfluidic Adaptation of Density-Gradient Centrifugation for Isolation of Particles and Cells

    Directory of Open Access Journals (Sweden)

    Yuxi Sun

    2017-08-01

    Full Text Available Density-gradient centrifugation is a label-free approach that has been extensively used for cell separations. Though elegant, this process is time-consuming (>30 min, subjects cells to high levels of stress (>350 g and relies on user skill to enable fractionation of cells that layer as a narrow band between the density-gradient medium and platelet-rich plasma. We hypothesized that microfluidic adaptation of this technique could transform this process into a rapid fractionation approach where samples are separated in a continuous fashion while being exposed to lower levels of stress (<100 g for shorter durations of time (<3 min. To demonstrate proof-of-concept, we designed a microfluidic density-gradient centrifugation device and constructed a setup to introduce samples and medium like Ficoll in a continuous, pump-less fashion where cells and particles can be exposed to centrifugal force and separated via different outlets. Proof-of-concept studies using binary mixtures of low-density polystyrene beads (1.02 g/cm3 and high-density silicon dioxide beads (2.2 g/cm3 with Ficoll–Paque (1.06 g/cm3 show that separation is indeed feasible with >99% separation efficiency suggesting that this approach can be further adapted for separation of cells.

  9. Effect of Crustal Density Structures on GOCE Gravity Gradient Observables

    Directory of Open Access Journals (Sweden)

    Robert Tenzer and Pavel Novák

    2013-01-01

    Full Text Available We investigate the gravity gradient components corrected for major known anomalous density structures within the _ crust. Heterogeneous mantle density structures are disregarded. The gravimetric forward modeling technique is utilized to compute the gravity gradients based on methods for a spherical harmonic analysis and synthesis of a gravity field. The _ gravity gradient components are generated using the global geopotential model GOCO-03s. The topographic and stripping gravity corrections due to the density contrasts of the ocean and ice are computed from the global topographic/bathymetric model DTM2006.0 (which also includes the ice-thickness dataset. The discrete data of sediments and crust layers taken from the CRUST2.0 global crustal model are then used to apply the additional stripping corrections for sediments and remaining anomalous crustal density structures. All computations are realized globally on a one arc-deg geographical grid at a mean satellite elevation of 255 km. The global map of the consolidated crust-stripped gravity gradients reveals distinctive features which are attributed to global tectonics, lithospheric plate configuration, lithosphere structure and mantle dynamics (e.g., glacial isostatic adjustment, mantle convection. The Moho signature, which is the most pronounced signal in these refined gravity gradients, is superimposed over a weaker gravity signal of the lithospheric mantle. An interpretational quality of the computed (refined gravity gradient components is mainly limited by a low accuracy and resolution of the CRUST2.0 sediment and crustal layer data and unmodeled mantle structures.

  10. Roughness induced flow separation in adverse pressure gradient

    Science.gov (United States)

    Joo, Jongwook; Emory, Mike; Bose, Sanjeeb; Medic, Gorazd; Sharma, Om

    2016-11-01

    Surface roughness does not only increase turbulent mixing, but also thickens boundary-layers, making flows more susceptible to separation. Detailed flow physics related to the separation is not understood well. Bammert and Milsch (1972) demonstrates a clear example of surface roughness induced separation under adverse pressure gradient. In the study, compressor cascades with NACA 65 airfoils are systematically roughened and the flow over suction surface gradually separates early as roughness increases. A set of Large-Eddy Simulations (LES) over the Bammert's case is investigated, since RANS simulations using roughness models suffer from capturing the separation. In the current study, surface roughness is represented in two different approaches; 1) Realistic rough surface represented by stochastically distributed hills and valleys are gridded and solved with unstructured finite volume method, 2) Using block-structured grid, surface roughness is gridded as a staggered array of 3D rectangles, in a similar way of the previous study for roughened low pressure turbine (GT2016-57912). The current LES's capture rich features of the flow phenomena, which will bring comprehensive understanding of the roughness induced separation. This collaboration is made through 2016 CTR Summer Program.

  11. Effect of density gradient centrifugation on reactive oxygen species in human semen.

    Science.gov (United States)

    Takeshima, Teppei; Yumura, Yasushi; Kuroda, Shinnosuke; Kawahara, Takashi; Uemura, Hiroji; Iwasaki, Akira

    2017-06-01

    Density gradient centrifugation can separate motile sperm from immotile sperm and other cells for assisted reproduction, but may also remove antioxidants from seminal plasma, resulting in oxidative stress. Therefore, we investigated reactive oxygen species (ROS) concentrations and distribution in semen before and after density gradient centrifugation. We assessed semen volume, sperm concentration, sperm motility, and ROS levels before and after density gradient centrifugation (300 x g for 20 minutes) in 143 semen samples from 118 patients. The ROS removal rate was evaluated in ROS-positive samples and ROS formation rate in ROS-negative samples. Thirty-eight of 143 untreated samples (26.6%) were ROS-positive; sperm motility was significantly lower in these samples than in ROS-negative samples (p density gradient centrifugation, only seven of the 38 ROS-positive samples (18.42%) exhibited a ROS-positive lower layer (containing motile sperm) with a ROS removal rate of 81.58%, whereas the upper layer was ROS-positive in 24 samples (63.16%). In the ROS-negative group (n = 105), ROS was detected in 19 samples after centrifugation (18.10%, ROS generation rate), of which 18 were ROS-positive only in the upper layer or interface and the other was ROS-positive in both layers. Density gradient centrifugation can separate motile sperm from immotile sperm as well as remove ROS (including newly generated ROS). This data supports the view that density gradient centrifugation can select motile spermatozoa without enhancing oxidative stress. ROS: reactive oxygen species; SOD: superoxide dismutase; GPx: glutathione peroxidase; DNA: deoxyribonucleic acid; DGC: density gradient centrifugation; IUI: intrauterine insemination; IVF: in vitro fertilization; HEPES: 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid; EDTA: ethylenediaminetetraacetic acid; HTF: HEPES-buffered human tubal fluid; IMSI: intracytoplasmic morphologically selected sperm injection; SMAS: sperm motility analyzing

  12. Analytical gradients for excitation energies from frozen-density embedding.

    Science.gov (United States)

    Kovyrshin, Arseny; Neugebauer, Johannes

    2016-08-21

    The formulation of analytical excitation-energy gradients from time-dependent density functional theory within the frozen-density embedding framework is presented. In addition to a comprehensive mathematical derivation, we discuss details of the numerical implementation in the Slater-function based Amsterdam Density Functional (ADF) program. Particular emphasis is put on the consistency in the use of approximations for the evaluation of second- and third-order non-additive kinetic-energy and exchange-correlation functional derivatives appearing in the final expression for the excitation-energy gradient. We test the implementation for different chemical systems in which molecular excited-state potential-energy curves are affected by another subsystem. It is demonstrated that the analytical implementation for the evaluation of excitation-energy gradients yields results in close agreement with data from numerical differentiation. In addition, we show that our analytical results are numerically more stable and thus preferable over the numerical ones.

  13. Fabrication and evaluation of uniform and gradient density epoxies

    Energy Technology Data Exchange (ETDEWEB)

    Domeier, L.A.; Skala, D.M.; Goods, S.H. [and others

    1997-11-01

    Filled epoxy materials which vary in density in a designed manner have been fabricated and their mechanical properties evaluated. Density variations were produced by incorporating different volume fractions of either glass microballoons (GMB) or alumina. Several different sample types were evaluated including uniform density (0.8 g/cm{sup 3} < {rho} < 2.0 g/cm{sup 3}) samples and gradient density samples (GMB only, 0.8 g/cm{sup 3} < {rho} < 1.2 g/cm{sup 3}). The uniform density specimens were evaluated for the effects of filler type and concentration on modulus and toughness. Results indicated that addition of alumina filler significantly increased the resulting modulus while addition of GMB had little measurable effect. These differences could be understood in terms of the differing moduli of the additives relative to that of the epoxy matrix. In the former case the alumina particulates had a modulus much greater than that of the epoxy while in the latter case, the modulus of the GMB additive was only slightly greater than that of the matrix. Addition of either filler significantly degraded the toughness of the composite specimens and precluded the use of gradients to enhance toughness performance. Discontinuous {open_quotes}block{close_quotes} gradients used for testing were fabricated by simple sequential pours of formulations with different GMB loadings and were evaluated for modulus, strength and ductility. Continuous gradients were fabricated in process studies by programmed shifts in the peristaltic pumping/mixing ratio of epoxies filled with either alumina or GMB. None of the continuous gradient materials were mechanically tested. These results suggest that applications utilizing gradient materials containing alumina and similar high modulus fillers to provide designed stiffness rather than improved toughness are the most appropriate targets for future investigation.

  14. Analytical nuclear gradients for the range-separated many-body dispersion model of noncovalent interactions

    CERN Document Server

    Blood-Forsythe, Martin A; DiStasio, Robert A; Car, Roberto; Aspuru-Guzik, Alán

    2015-01-01

    Accurate treatment of the long-range electron correlation energy, including van der Waals (vdW) or dispersion interactions, is essential for describing the structure, dynamics, and function of a wide variety of systems. Among the most accurate models for including dispersion into density functional theory (DFT) is the range-separated many-body dispersion (MBD) method [A. Ambrossetti et al., J. Chem. Phys. 140, 18A508 (2014)], in which the correlation energy is modeled at short-range by a semi-local density functional and at long-range by a model system of coupled quantum harmonic oscillators. In this work, we develop analytical gradients of the MBD energy with respect to nuclear coordinates, including all implicit coordinate dependencies arising from the partitioning of the charge density into Hirshfeld effective volumes. To demonstrate the efficiency and accuracy of these MBD gradients for geometry optimizations of systems with intermolecular and intramolecular interactions, we optimized conformers of the be...

  15. Enhancement of electric and magnetic wave fields at density gradients

    Directory of Open Access Journals (Sweden)

    A. Reiniusson

    2006-03-01

    Full Text Available We use Freja satellite data to investigate irregular small-scale density variations. The observations are made in the auroral region at about 1000-1700 km. The density variations are a few percent, and the structures are found to be spatial down to a scale length of a few ion gyroradii. Irregular density variations are often found in an environment of whistler mode/lower hybrid waves and we show that at the density gradients both the electric and magnetic wave fields are enhanced.

  16. Gradient chromatofocusing. versatile pH gradient separation of proteins in ion-exchange HPLC: characterization studies.

    Science.gov (United States)

    Shan, Lian; Anderson, David J

    2002-11-01

    A new chromatofocusing technique called gradient chromatofocusing is characterized. Gradient chromatofocusing generates linear pH gradients on anion-exchange columns with inexpensive low molecular mass buffer components via HPLC gradient mixing. Gradient chromatofocusing results are compared with that of conventional chromatofocusing in the chromatography of several proteins on a Mono P column, including beta-lactoglobulin A and B, ovalbumin, BSA, and conalbumin. Gradient chromatofocusing shows superior performance, with resolution increases greater than 3-fold being realized for the entire protein mixture and up to 25-fold for a particular protein pair. This performance superiority arises from inherent advantages in the gradient chromatofocusing technique in optimizing conditions pertinent to separation, including buffer concentration and pH gradient slope. These resolution gains arise from both increases in separation factor and decreases in peak width achieved with the pH gradient chromatofocusing technique through the manipulation of buffer concentration and the pH gradient profile. Gradient chromatofocusing is also compared with conventional NaCl gradient ion-exchange chromatography using the same Mono P column, demonstrating 3-fold resolution gains, resulting from a 3-fold decrease in peak width. The present work demonstrates the significantly improved performance that gradient chromatofocusing has in protein separations compared to other ion-exchange chromatographic techniques. Mechanisms for the various effects are discussed.

  17. Effect of Crustal Density Structures on GOCE Gravity Gradient Observables

    Directory of Open Access Journals (Sweden)

    Robert Tenzer Pavel Novák

    2013-01-01

    Full Text Available We investigate the gravity gradient components corrected for major known anomalous density structures within the Earth¡¦s crust. Heterogeneous mantle density structures are disregarded. The gravimetric forward modeling technique is utilized to compute the gravity gradients based on methods for a spherical harmonic analysis and synthesis of a gravity field. The Earth¡¦s gravity gradient components are generated using the global geopotential model GOCO-03s. The topographic and stripping gravity corrections due to the density contrasts of the ocean and ice are computed from the global topographic/bathymetric model DTM2006.0 (which also includes the ice-thickness dataset. The discrete data of sediments and crust layers taken from the CRUST2.0 global crustal model are then used to apply the additional stripping corrections for sediments and remaining anomalous crustal density structures. All computations are realized globally on a one arc-deg geographical grid at a mean satellite elevation of 255 km. The global map of the consolidated crust-stripped gravity gradients reveals distinctive features which are attributed to global tectonics, lithospheric plate configuration, lithosphere structure and mantle dynamics (e.g., glacial isostatic adjustment, mantle convection. The Moho signature, which is the most pronounced signal in these refined gravity gradients, is superimposed over a weaker gravity signal of the lithospheric mantle. An interpretational quality of the computed (refined gravity gradient components is mainly limited by a low accuracy and resolution of the CRUST2.0 sediment and crustal layer data and unmodeled mantle structures.

  18. Gram-scale fractionation of nanodiamonds by density gradient ultracentrifugation

    KAUST Repository

    Peng, Wei

    2013-01-01

    Size is a defining characteristic of nanoparticles; it influences their optical and electronic properties as well as their interactions with molecules and macromolecules. Producing nanoparticles with narrow size distributions remains one of the main challenges to their utilization. At this time, the number of practical approaches to optimize the size distribution of nanoparticles in many interesting materials systems, including diamond nanocrystals, remains limited. Diamond nanocrystals synthesized by detonation protocols-so-called detonation nanodiamonds (DNDs)-are promising systems for drug delivery, photonics, and composites. DNDs are composed of primary particles with diameters mainly <10 nm and their aggregates (ca. 10-500 nm). Here, we introduce a large-scale approach to rate-zonal density gradient ultracentrifugation to obtain monodispersed fractions of nanoparticles in high yields. We use this method to fractionate a highly concentrated and stable aqueous solution of DNDs and to investigate the size distribution of various fractions by dynamic light scattering, analytical ultracentrifugation, transmission electron microscopy and powder X-ray diffraction. This fractionation method enabled us to separate gram-scale amounts of DNDs into several size ranges within a relatively short period of time. In addition, the high product yields obtained for each fraction allowed us to apply the fractionation method iteratively to a particular size range of particles and to collect various fractions of highly monodispersed primary particles. Our method paves the way for in-depth studies of the physical and optical properties, growth, and aggregation mechanism of DNDs. Applications requiring DNDs with specific particle or aggregate sizes are now within reach. © 2013 The Royal Society of Chemistry.

  19. Density Gradient Ultracentrifugation to Isolate Endogenous Protein Complexes after Affinity Capture.

    Science.gov (United States)

    Fernandez-Martinez, Javier; LaCava, John; Rout, Michael P

    2016-07-01

    This protocol describes the isolation of native protein complexes by density gradient ultracentrifugation. The outcome of an affinity capture and native elution experiment is generally a mixture of (1) the complex(es) associated with the protein of interest under the specific conditions of capture, (2) fragments of the complex generated by degradation or disassembly during the purification procedure, and (3) the protease or reagent used to natively elute the sample. To separate these components and isolate a homogeneous complex, an additional step of purification is required. Rate-zonal density gradient ultracentrifugation is a reliable and powerful technique for separating particles based on their hydrodynamic volume. The density gradient is generated by mixing low- and high-density solutions of a suitable low-molecular-weight inert solute (e.g., sucrose or glycerol). The gradient is formed in a solvent that could be any of the solvents used for the affinity capture and native elution and should help to preserve the structure and activity of the assembly.

  20. Preparation of Avocado Mitochondria Using Self-Generated Percoll Density Gradients and Changes in Buoyant Density during Ripening.

    Science.gov (United States)

    Moreau, F; Romani, R

    1982-11-01

    Mitochondria from avocado (Persea americana Mill, var. Fuerte and Hass) can be rapidly prepared at every stage of ripening using differential centrifugation and self-generated Percoll gradients. The procedure results in improved oxidative and phosphorylative properties, especially for mitochondria isolated from preclimacteric fruits.A gradual change in the buoyant density of avocado mitochondria takes place during ripening. Climacteric and postclimacteric avocado mitochondria have the same buoyant density as other plant mitochondria (potato, cauliflower), whereas mitochondria from preclimacteric fruit have a lower density. The transition in buoyant density occurs during the climacteric rise, and two populations of intact mitochondria (p = 1.060 and p = 1.075) can be separated at this stage. Evidence indicates that the difference in mitochondrial buoyant density between preclimacteric and postclimacteric mitochondria is likely due to interactions with soluble cytosolic components.

  1. Interacting Eigenmodes of a plasma diode with a density gradient

    Energy Technology Data Exchange (ETDEWEB)

    Loefgren, T.; Gunell, H.

    1997-08-01

    The formation of narrow high frequency electric field spikes in plasma density gradients is investigated using one-dimensional particle in cell simulations. It is found that the shape of the plasma density gradient is very important for the spike formation. The spike appears also in simulations with immobile ions showing that a coupling to the ion motion, as for example in wave interactions, is not necessary for the formation of HF spikes. However, the HF spike influences the ion motion, and ion waves are seen in the simulations. It has been found, in experiments and simulations, that the electron velocity distribution function deviates from the Maxwellian distribution. Dispersion relations are calculated using realistic distribution functions. The spike can be seen as a coupled system of two Eigenmodes of a plasma diode fed by the beam-plasma interaction. Based on a simplified fluid description of such Eigenmodes, explanations for the localization of the spike, spatially and in frequency, are given. The density amplitude is comparable with the DC density level close to the cathode. Space charge limits of waves in this region seem to determine the amplitude of the spike through the Poisson`s equation. 12 refs, 19 figs.

  2. The density gradient effect on quantum Weibel instability

    Energy Technology Data Exchange (ETDEWEB)

    Mahdavi, M., E-mail: m.mahdavi@umz.ac.ir; Khodadadi Azadboni, F., E-mail: f.khodadadi@stu.umz.ac.ir [Physics Department, University of Mazandaran, P. O. Box 47415-416, Babolsar (Iran, Islamic Republic of)

    2015-03-15

    The Weibel instability plays an important role in stopping the hot electrons and energy deposition mechanism in the fast ignition of inertial fusion process. In this paper, the effects of the density gradient and degeneracy on Weibel instability growth rate are investigated. Calculations show that decreasing the density degenerate in the plasma corona, near the relativistic electron beam emitting region by 8.5% leads to a 92% reduction in the degeneracy parameter and about 90% reduction in Weibel instability growth rate. Also, decreasing the degenerate density near the fuel core by 8.5% leads to 1% reduction in the degeneracy parameter and about 8.5% reduction in Weibel instability growth rate. The Weibel instability growth rate shrinks to zero and the deposition condition of relativistic electron beam energy can be shifted to the fuel core for a suitable ignition by increasing the degeneracy parameter in the first layer of plasma corona.

  3. SEPARATION OF X-BEARING BOVINE SPERM BY CENTRIFUGATION IN CONTINUOUS PERCOLL AND OPTIPREP DENSITY GRADIENT: EFFECT IN SPERM VIABILITY AND IN VITRO EMBRYO PRODUCTION SEPARAÇÃO DE ESPERMATOZOIDES PORTADORES DO CROMOSSOMO X BOVINO POR CENTRIFUGAÇÃO EM GRADIENTE DE DENSIDADE CONTÍNUO DE PERCOLL E OPTIPREP: EFEITO SOBRE A VIABILIDADE ESPERMÁTICA E NA PRODUÇÃO IN VITRO DE EMBRIÕES

    Directory of Open Access Journals (Sweden)

    Aline Costa Lucio

    2009-07-01

    Full Text Available

    The aim of this study was to separate X-bearing bovine sperm by continuous Percoll and OptiPrep density gradients and to validate the sexing of resultant in vitro produced embryos by Polimerase Chain Reaction (PCR. Frozen/thawed sperm was layered on density gradients which were previously prepared in polystyrene tubes, 24 h before procedures and maintained at 4 °C. The tubes were centrifuged at 500 x g for 15 min at 22 °C. Supernatants were gently aspirated and the sperm recovered from the bottom of the tubes. Viability and integrity of sperm were evaluated by Trypan Blue/Giemsa stain. Cleavage and blastocyst rates were determined by in vitro production of embryos and PCR was performed for identification of the embryos’ genetic sex. No damage in viability and acrossomal integrity and in cleavage and blastocyst rates was found in the Percoll and OptiPrep treatment compared to the non-centrifuged group (P>0.05. The percentage of female embryos in the Percoll and OptiPrep group was 63.0 and 47.6%, respectively. The female embryos in control group were 48.7%. A sexual deviation in the Percoll density gradient was achieved without reduction of sperm viability and in vitro production rates.

    KEY WORDS: Bovine, centrifugation, in vitro production of embryos, PCR, X-bearing sperm.

    O objetivo deste estudo foi separar espermatozoides bovinos portadores do cromossomo X pela centrifugação em gradiente de densidade contínuo de Percoll e OptiPrep, e validar a sexagem pela reação em cadeia da polimerase (PCR, dos embriões produzidos in vitro. Para a sexagem, espermatozoides descongelados foram depositados nos gradientes de densidade, previamente preparados, em tubos de poliestireno, 24 horas antes da sexagem e mantidos a 4°C. Centrifugou-se a 500 x g por quinze minutos a 22°C. Os sobrenadantes foram aspirados, e os espermatozoides recuperados do

  4. Mineral density volume gradients in normal and diseased human tissues.

    Directory of Open Access Journals (Sweden)

    Sabra I Djomehri

    Full Text Available Clinical computed tomography provides a single mineral density (MD value for heterogeneous calcified tissues containing early and late stage pathologic formations. The novel aspect of this study is that, it extends current quantitative methods of mapping mineral density gradients to three dimensions, discretizes early and late mineralized stages, identifies elemental distribution in discretized volumes, and correlates measured MD with respective calcium (Ca to phosphorus (P and Ca to zinc (Zn elemental ratios. To accomplish this, MD variations identified using polychromatic radiation from a high resolution micro-computed tomography (micro-CT benchtop unit were correlated with elemental mapping obtained from a microprobe X-ray fluorescence (XRF using synchrotron monochromatic radiation. Digital segmentation of tomograms from normal and diseased tissues (N=5 per group; 40-60 year old males contained significant mineral density variations (enamel: 2820-3095 mg/cc, bone: 570-1415 mg/cc, cementum: 1240-1340 mg/cc, dentin: 1480-1590 mg/cc, cementum affected by periodontitis: 1100-1220 mg/cc, hypomineralized carious dentin: 345-1450 mg/cc, hypermineralized carious dentin: 1815-2740 mg/cc, and dental calculus: 1290-1770 mg/cc. A plausible linear correlation between segmented MD volumes and elemental ratios within these volumes was established, and Ca/P ratios for dentin (1.49, hypomineralized dentin (0.32-0.46, cementum (1.51, and bone (1.68 were observed. Furthermore, varying Ca/Zn ratios were distinguished in adapted compared to normal tissues, such as in bone (855-2765 and in cementum (595-990, highlighting Zn as an influential element in prompting observed adaptive properties. Hence, results provide insights on mineral density gradients with elemental concentrations and elemental footprints that in turn could aid in elucidating mechanistic processes for pathologic formations.

  5. Moho Density Contrast in Central Eurasia from GOCE Gravity Gradients

    Directory of Open Access Journals (Sweden)

    Mehdi Eshagh

    2016-05-01

    Full Text Available Seismic data are primarily used in studies of the Earth’s inner structure. Since large parts of the world are not yet sufficiently covered by seismic surveys, products from the Earth’s satellite observation systems have more often been used for this purpose in recent years. In this study we use the gravity-gradient data derived from the Gravity field and steady-state Ocean Circulation Explorer (GOCE, the elevation data from the Shuttle Radar Topography Mission (SRTM and other global datasets to determine the Moho density contrast at the study area which comprises most of the Eurasian plate (including parts of surrounding continental and oceanic tectonic plates. A regional Moho recovery is realized by solving the Vening Meinesz-Moritz’s (VMM inverse problem of isostasy and a seismic crustal model is applied to constrain the gravimetric solution. Our results reveal that the Moho density contrast reaches minima along the mid-oceanic rift zones and maxima under the continental crust. This spatial pattern closely agrees with that seen in the CRUST1.0 seismic crustal model as well as in the KTH1.0 gravimetric-seismic Moho model. However, these results differ considerably from some previously published gravimetric studies. In particular, we demonstrate that there is no significant spatial correlation between the Moho density contrast and Moho deepening under major orogens of Himalaya and Tibet. In fact, the Moho density contrast under most of the continental crustal structure is typically much more uniform.

  6. Stable smoothed particle magnetohydrodynamics in very steep density gradients

    CERN Document Server

    Lewis, Benjamin T; Monaghan, Joseph J; Price, Daniel J

    2015-01-01

    The equations of smoothed particle magnetohydrodynamics (SPMHD), even with the various corrections to instabilities so far proposed, have been observed to be unstable when a very steep density gradient is necessarily combined with a variable smoothing length formalism. Here we consider in more detail the modifications made to the SPMHD equations in LBP2015 that resolve this instability by replacing the smoothing length in the induction and anisotropic force equations with an average smoothing length term. We then explore the choice of average used and compare the effects on a test `cylinder-in-a-box' problem and the collapse of a magnetised molecular cloud core. We find that, aside from some benign numerical effects at low resolutions for the quadratic mean, the formalism is robust as to the choice of average but that in complicated models it is essential to apply the average to both equations; in particular, all four averages considered exhibit similar conservation properties. This improved formalism allows ...

  7. Pancreatic islet isolation by mechanical-enzymatic separation, stationary collagenase digestion and dextran discontinuous density gradient purification: experimental study in dogs Isolamento das ilhotas pancreáticas pela separação mecânica-enzimática digestão estacionária com colagenase e purificação com gradiente de densidade descontínua de dextran: estudo experimental em cães

    Directory of Open Access Journals (Sweden)

    Jaques Waisberg

    2002-04-01

    Full Text Available The prospects for allotransplantation of pancreatic islets in man depend on the development of methods that provide sufficient quantities of pancreatic islets from a single donor, which are capable, when transplanted, of achieve the normalization of carbohydrate metabolism. Objective: Evaluate the efficacy of the isolation of Langerhans islets from dogs, by means of mechanical-enzymatic separation technique with stationary digestion using collagenase, and purification with a discontinuous dextran density gradient. Methods: The counting of islet numbers and evaluation of their sizes was accomplished by staining with diphenylthiocarbazone and using stereoscopic microscopes equipped with eyepiece reticule for the measurement of average diameters of stained islets. Results: The results disclosed that the average number of islets isolated was 81032.20 ± 24736.79 and the average number of islets isolated per kg of body weight was 6938.70 ± 1392.43. The average number of islets isolated per kg of body weight showed significant correlation with body weight and weight of the pancreas resected. Conclusion: The number of islets isolated, of a single donor, by mechanical-enzymatic separation, stationary collagenase digestion and discontinuous dextran density gradient purification can be sufficient to success of pancreatic islets transplant in dogs.A perspectiva do alotransplante de ilhotas pancreáticas no homem está na dependência do desenvolvimento de métodos que propiciem quantidades suficientes de ilhotas pancreáticas, originadas de doador único, capazes de, quando transplantadas, levarem à normalização do metabolismo dos hidratos de carbono. Objetivo: Avaliar, em cães, a eficácia do isolamento das ilhotas de Langerhans por meio da técnica de separação mecânica-enzimática, digestão estacionária com colagenase e purificação pelo gradiente de densidade descontínua de dextran. Métodos: A contagem do número e avaliação do tamanho

  8. Iso-geometric shape optimization of magnetic density separators

    DEFF Research Database (Denmark)

    Dang Manh, Nguyen; Evgrafov, Anton; Gravesen, Jens

    2014-01-01

    Purpose The waste recycling industry increasingly relies on magnetic density separators. These devices generate an upward magnetic force in ferro-fluids allowing to separate the immersed particles according to their mass density. Recently, a new separator design has been proposed that significantly...... is obtained at the cost of a pole cover shape that differs per pole. This limitation has negligible impact on the manufacturing of the separator. The new pole cover shapes therefore lead to improved performance of the density separation. Practical implications Due to the larger uniformity the generated field......, these shapes should enable larger amounts of waste to be processed than the previous design. Originality/value This paper treats the shapes optimization of magnetic density separators systematically and presents new shapes for the ferromagnetic poles covers....

  9. Iso-geometric shape optimization of magnetic density separators

    OpenAIRE

    2014-01-01

    PurposeThe waste recycling industry increasingly relies on magnetic density separators. These devices generate an upward magnetic force in ferro-fluids allowing to separate the immersed particles according to their mass density. Recently, a new separator design has been proposed that significantly reduces the required amount of permanent magnet material. The purpose of this paper is to alleviate the undesired end-effects in this design by altering the shape of the ferromagnetic covers of the ...

  10. Research and Simulation of FECG Signal Blind Separation Algorithm Based on Gradient Method

    Directory of Open Access Journals (Sweden)

    Yu Chen

    2012-08-01

    Full Text Available Independent Component Analysis (ICA is a new developed signal separation and digital analysis technology in recent years. ICA has widely used because it does not need to know the signal prior information, which has became the hot spot in signal processing field research. In this study, we firstly introduce the principle, meaning and blind source separation algorithm based on the gradient. By using the traditional natural gradient algorithm and Equi-variant Adaptive Source Separation via Independent (EASI blind separation algorithm, mixing ECG signals with noises had been separated effectively into the Maternal Electrocardiograph (MECG signal, Fetal Electrocardiograph (FECG signal and noise signal. The algorithm separation test showed that EASI algorithm can better separate the fetal ECG signal and because the gradient algorithm is a kind of online algorithm, which can be used for clinical fetal ECG signal of the real-time detection with important practical value and research significance.

  11. Isolation of human salivary extracellular vesicles by iodixanol density gradient ultracentrifugation and their characterizations

    Directory of Open Access Journals (Sweden)

    Kazuya Iwai

    2016-05-01

    Full Text Available Diagnostic methods that focus on the extracellular vesicles (EVs present in saliva have been attracting great attention because of their non-invasiveness. EVs contain biomolecules such as proteins, messenger RNA (mRNA and microRNA (miRNA, which originate from cells that release EVs, making them an ideal source for liquid biopsy. Although there have been many reports on density-based fractionation of EVs from blood and urine, the number of reports on EVs from saliva has been limited, most probably because of the difficulties in separating EVs from viscous saliva using density gradient centrifugation. This article establishes a protocol for the isolation of EVs from human saliva using density gradient centrifugation. The fractionated salivary EVs were characterized by atomic force microscopy, western blot and reverse transcription polymerase chain reaction. The results indicate that salivary EVs have a smaller diameter (47.8±12.3 nm and higher density (1.11 g/ml than EVs isolated from conditioned cell media (74.0±23.5 nm and 1.06 g/ml, respectively. Additionally, to improve the throughput of density-based fractionation of EVs, the original protocol was further modified by using a fixed angle rotor instead of a swinging rotor. It was also confirmed that several miRNAs were expressed strongly in the EV-marker-expressing fractions.

  12. Isolation of human salivary extracellular vesicles by iodixanol density gradient ultracentrifugation and their characterizations

    Science.gov (United States)

    Iwai, Kazuya; Minamisawa, Tamiko; Suga, Kanako; Yajima, Yasutomo; Shiba, Kiyotaka

    2016-01-01

    Diagnostic methods that focus on the extracellular vesicles (EVs) present in saliva have been attracting great attention because of their non-invasiveness. EVs contain biomolecules such as proteins, messenger RNA (mRNA) and microRNA (miRNA), which originate from cells that release EVs, making them an ideal source for liquid biopsy. Although there have been many reports on density-based fractionation of EVs from blood and urine, the number of reports on EVs from saliva has been limited, most probably because of the difficulties in separating EVs from viscous saliva using density gradient centrifugation. This article establishes a protocol for the isolation of EVs from human saliva using density gradient centrifugation. The fractionated salivary EVs were characterized by atomic force microscopy, western blot and reverse transcription polymerase chain reaction. The results indicate that salivary EVs have a smaller diameter (47.8±12.3 nm) and higher density (1.11 g/ml) than EVs isolated from conditioned cell media (74.0±23.5 nm and 1.06 g/ml, respectively). Additionally, to improve the throughput of density-based fractionation of EVs, the original protocol was further modified by using a fixed angle rotor instead of a swinging rotor. It was also confirmed that several miRNAs were expressed strongly in the EV-marker-expressing fractions. PMID:27193612

  13. 密度梯度分离/免疫荧光技术检测再生水中隐孢子虫和贾第鞭毛虫%Detection of Cryptosporidium and Giardia in reclaimed wastewater systems using immunofluorescence assay and density gradient separation

    Institute of Scientific and Technical Information of China (English)

    陈智敏; 张昱; 杨敏; 肖淑敏; 张冬青; 李红岩; 郭瑞光

    2011-01-01

    采用乙酸乙酯漂浮方法和酸溶解法分别解决了再生水进水中有机杂质以及再生水中剩余絮凝剂干扰隐孢子虫和贾第鞭毛虫检测的关键问题,在此基础上,建立了成本远低于EPA 1623法的隐孢子虫和贾第鞭毛虫检测方法的密度梯度分离/免疫荧光技术.利用该方法对我国北方2个城市的污水再生处理系统进行了检测,再生水进出水的回收率分别为18%~31%卵囊和24%~95%包囊,能够满足检测要求.结果表明,在5个再生水系统的9个进水样品中,隐孢子虫的阳性率为89%,平均浓度为26个/10 L;贾第鞭毛虫的阳性率为100%,平均浓度为138个/10 L.再生水出水中也有两虫检出.%For the reclaimed influents and the reclaimed effluents with excess coagulant, the ethyl acetate floatation and acid dissociation were suggested to be added to enhance the purification and increase the recovery,respectively. Then an immunofluorescence assay and density gradient separation method for detection of Cryptosporidium oocysts and Giardia cysts, was developed in reclaimed wastewater systems. The Cryptosporidium oocysts and Giardia cysts of reclaimed wastewaters were detected in T and B cities in north China using immunofluorescence assay and density gradient separation method. The acceptable recoveries obtained from reclaimed influents and effluents were in the range of 18%~31% oocysts and 24% ~95% cysts. The results showed that Cryptosporidium were detected in 89% samples with mean concentration of 26 oocysts/10 L,while Giardia were detected in 100% samples with mean concentration of 138 cysts/10 L in the influents of 5 reclaimed wastewater systems. Besides, Cryptosporidium oocysts and Giardia cysts were also present in the effluents of some reclaimed wastewater systems.

  14. Numerical analysis of wet separation of particles by density differences

    CERN Document Server

    Markauskas, Darius

    2016-01-01

    Wet particle separation is widely used in mineral processing and plastic recycling to separate mixtures of particulate materials into further usable fractions due to density differences. This work presents efforts aiming to numerically analyze the wet separation of particles with different densities. In the current study the discrete element method (DEM) is used for the solid phase while the smoothed particle hydrodynamics (SPH) is used for modeling of the liquid phase. The two phases are coupled by the use of a volume averaging technique. In the current study, simulations of spherical particle separation were performed. In these simulations, a set of generated particles with two different densities is dropped into a rectangular container filled with liquid. The results of simulations with two different mixtures of particles demonstrated how separation depends on the densities of particles.

  15. High gradient magnetic filtration and separation. Part II

    Energy Technology Data Exchange (ETDEWEB)

    Fletcher, D.

    The paper contains the second part of a two part paper in which the developing role of high grade magnetic filtration and separation (HGMF/S) is reviewed. Part I discussed the increasing potential for the technique and outlined the basic theory behind it. Part II describes the practical application of the technique with particular reference to the beneficiation of fine coal. Aspects considered are: a simple laboratory HGMF/S device; the matrix and its efficency; processing rates in HGMF/S; coal desulphurization and deashing - a potential application of HGMS. The paper concludes that HGMF/S is a process of high potential application as natural particles have a wide variation of magnetic character. Add to this the space saving nature of very powerful superconducting systems and their low energy consumption and it can be safely predicted that HGMF/S will, over time, gain many more applications as whole or part of whole filtration and separation processes. 19 references.

  16. Recycling of plastic waste by density separation: prospects for optimization.

    Science.gov (United States)

    Gent, Malcolm Richard; Menendez, Mario; Toraño, Javier; Diego, Isidro

    2009-03-01

    A review of existing industrial processing and results of alternative processing investigations for separating solid mixtures and specifically recycling plastic waste by density separation is presented. Media density separation is shown to be fundamental for separation and/or pre-concentration in the recycling of plastics. The current use of static media processes limits the capacity and size of material that can be treated commercially. Investigations have shown that the hydroscopic properties of plastics can be reduced to improve such separations. This indicates that an alternative processing method is required to increase the commercial recovery of recyclable plastics. Cylindroconical and cylindrical cyclone-type media separators, such as those used for processing coal, are reviewed and suggested as a potential substitute. Both have superior production capacities and are able to process a larger range in particle sizes treated. A summary of results of investigations with cyclone media devices for recycling plastics is presented.

  17. Mathematical modeling of salt-gradient ion-exchange simulated moving bed chromatography for protein separations

    Institute of Scientific and Technical Information of China (English)

    卢建刚

    2004-01-01

    The salt-gradient operation mode used in ion-exchange simulated moving bed chromatography (SMBC) can improve the efficiency of protein separations. A detailed model that takes into account any kind of adsorption/ion-exchange equilibrium, salt gradient, size exclusion, mass transfer resistance, and port periodic switching mechanism, was developed to simulate the complex dynamics. The model predictions were verified by the experimental data on upward and downward gradients for protein separations reported in the literature. All design and operating parameters (number, configuration, length and diameter of columns, particle size, switching period, flow rates of feed, raffinate, desorbent and extract, protein concentrations in feed, different salt concentrations in desorbent and feed) can be chosen correctly by numerical simulation. This model can facilitate the design, operation, optimization, control and scale-up of salt-gradient ion-exchange SMBC for protein separations.

  18. Gram-scale fractionation of nanodiamonds by density gradient ultracentrifugation

    Science.gov (United States)

    Peng, Wei; Mahfouz, Remi; Pan, Jun; Hou, Yuanfang; Beaujuge, Pierre M.; Bakr, Osman M.

    2013-05-01

    Size is a defining characteristic of nanoparticles; it influences their optical and electronic properties as well as their interactions with molecules and macromolecules. Producing nanoparticles with narrow size distributions remains one of the main challenges to their utilization. At this time, the number of practical approaches to optimize the size distribution of nanoparticles in many interesting materials systems, including diamond nanocrystals, remains limited. Diamond nanocrystals synthesized by detonation protocols - so-called detonation nanodiamonds (DNDs) - are promising systems for drug delivery, photonics, and composites. DNDs are composed of primary particles with diameters mainly Applications requiring DNDs with specific particle or aggregate sizes are now within reach.Size is a defining characteristic of nanoparticles; it influences their optical and electronic properties as well as their interactions with molecules and macromolecules. Producing nanoparticles with narrow size distributions remains one of the main challenges to their utilization. At this time, the number of practical approaches to optimize the size distribution of nanoparticles in many interesting materials systems, including diamond nanocrystals, remains limited. Diamond nanocrystals synthesized by detonation protocols - so-called detonation nanodiamonds (DNDs) - are promising systems for drug delivery, photonics, and composites. DNDs are composed of primary particles with diameters mainly Applications requiring DNDs with specific particle or aggregate sizes are now within reach. Electronic supplementary information (ESI) available: Discussion of the influence of sample solution concentrations on DLS measurements, comparisons of the size distributions of our raw milled particles and NanoAmando particles, a detailed description of the RZDGU procedure, discussion of the influences of the gradients and centrifugation times on fractionation, TEM images, zeta potentials, AUC analysis and

  19. Mineralogy and geochemistry of density-separated Greek lignite fractions

    NARCIS (Netherlands)

    Iordanidis, A.; Doesburg, van J.D.J.

    2006-01-01

    In this study, lignite samples were collected from the Ptolemais region, northern Greece, homogenized, crushed to less than I nun, and separated in three density fractions using heavy media. The mineralogical investigation of the density fractions showed a predominance of pyrite in the light fractio

  20. Mineralogy and geochemistry of density-separated Greek lignite fractions

    NARCIS (Netherlands)

    Iordanidis, A.; Doesburg, van J.D.J.

    2006-01-01

    In this study, lignite samples were collected from the Ptolemais region, northern Greece, homogenized, crushed to less than I nun, and separated in three density fractions using heavy media. The mineralogical investigation of the density fractions showed a predominance of pyrite in the light fractio

  1. Calculate Electric Field Gradient of TiO2 Within Density Functional Theory

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    <正>TiO2 electric field gradient has been calculated utilizing WIEN2K program, which is ab initio based on density function theory (DFT). DFT uses the charge density as a variable instead of electronic wave

  2. Planar gradient coil design by scaling the spatial frequencies of minimum-inductance current density.

    Science.gov (United States)

    Lee, S Y; Park, B S; Yi, J H; Yi, W

    1997-11-01

    Gradient coil inductance has been remarkably reduced by the minimum-inductance design technique, which minimizes the magnetic energy stored by the gradient coil. The planar gradient coil designed by this technique, however, often has poor magnetic field linearity. Scaling the spatial frequencies of the current density function derived by this method, the magnetic field linearity of the planar gradient coil can be greatly improved with a small sacrifice of gradient coil inductance. A figure of merit of the planar gradient coil has been found to be improved by scaling the spatial frequencies.

  3. Alternative separation of exchange and correlation energies in range-separated density-functional perturbation theory

    OpenAIRE

    Cornaton, Yann; Stoyanova, Alexandrina; Jensen, Hans Jørgen Aa.; Fromager, Emmanuel

    2013-01-01

    An alternative separation of short-range exchange and correlation energies is used in the framework of second-order range-separated density-functional perturbation theory. This alternative separation was initially proposed by Toulouse et al. [Theor. Chem. Acc. 114, 305 (2005)] and relies on a long-range interacting wavefunction instead of the non-interacting Kohn-Sham one. When second-order corrections to the density are neglected, the energy expression reduces to a range-separated double-hyb...

  4. A numerical study on charged-particle scattering and radiography of a steep density gradient

    Science.gov (United States)

    Shao, Guangchao; Wang, Xiaofang

    2016-09-01

    Electron and proton radiography of polystyrene planar targets with different density gradients is studied by Monte Carlo simulations in a regime that the incident charged-particle's kinetic energy is much higher than its energy loss in the targets. It is shown that by scattering of the electrons or protons, the density gradient causes modulations of the charged-particle beam transmitted from the target and the modulation contrast is sensitive only to a steep gradient, which suggests a novel diagnostic method wherein a steep density gradient could be distinguished from the scattering of a charged-particle beam in radiography. By using a 100-MeV charged-particle beam, it is found that the modulation is evident for a steep density gradient of width smaller than 1 μm for electron radiography and 0.6 μm for proton radiography, respectively, but almost negligible when the density gradient width is greater than 1 μm. The feasibility of diagnosing the steep density gradients in compressed matter is confirmed by the simulations of radiographing a laser-ablated planar foil. Simulations also show that it is possible to diagnose the density gradients inside a multilayered spherical capsule.

  5. Separating natural and contaminant related gradients in estuarine macrobenthic community structure

    Energy Technology Data Exchange (ETDEWEB)

    Rakocinski, C.; Heard, R.; Walker, W. [Gulf Coast Research Lab., Ocean Springs, MS (United States); Brown, S.; Gaston, G. [Univ. of Mississippi, University, MS (United States). Biology Dept.; Summers, J.K. [Environmental Protection Agency, Gulf Breeze, FL (United States)

    1995-12-31

    Using whole-community macrobenthic responses to assess pollution impacts in estuaries presents a difficult challenge due to dynamic natural conditions that may impose their own physical limitations on the biota. For example, the recognition of bioindicator taxa becomes confounded when correlations exist between gradients in natural environmental variables, such as salinity, and gradients in contaminants, such as trace metals. The authors used partial Canonical Correspondence Analysis (CCA) to separate natural and contaminant related gradients in macrobenthic community structure across 319 EMAP sites dispersed throughout the northern Gulf of Mexico. Residual variation in macrobenthic community structure was examined with respect to gradients in contaminant levels to identify responses by positive and negative bioindicator taxa. Gradients in concentrations of trace metals do not coincide completely with those in other chemical contaminants, and responses by characteristic bioindicator taxa reveal information regarding effects of specific contaminants. Several indigenous taxa serve as good negative bioindicators, whereas other opportunistic taxa serve as positive bioindicators of estuarine contamination.

  6. Feedback control of chromosome separation by a midzone Aurora B gradient

    Science.gov (United States)

    Pereira, António J.; Aguiar, Paulo; Lampson, Michael A.; Maiato, Helder

    2017-01-01

    Accurate chromosome segregation during mitosis requires the physical separation of sister chromatids before nuclear envelope reassembly (NER). However, how these two processes are coordinated remains unknown. Here, we identified a conserved feedback control mechanism that delays chromosome decondensation and NER in response to incomplete chromosome separation during anaphase. A midzone-associated Aurora B gradient was found to monitor chromosome position along the division axis and to prevent premature chromosome decondensation by retaining Condensin I. PP1/PP2A phosphatases counteracted this gradient and promoted chromosome decondensation and NER. Thus, an Aurora B gradient appears to mediate a surveillance mechanism that prevents chromosome decondensation and NER until effective separation of sister chromatids is achieved. This allows the correction and reintegration of lagging chromosomes in the main nuclei before completion of NER. PMID:24925910

  7. Stabilization of electron-scale turbulence by electron density gradient in national spherical torus experiment

    Energy Technology Data Exchange (ETDEWEB)

    Ruiz Ruiz, J.; White, A. E. [MIT-Plasma Science and Fusion Center, Cambridge, Massachusetts 02139 (United States); Ren, Y.; Guttenfelder, W.; Kaye, S. M.; Leblanc, B. P.; Mazzucato, E. [Princeton Plasma Physics Laboratory, Princeton, New Jersey 08543 (United States); Lee, K. C. [National Fusion Research Institute, Daejeon (Korea, Republic of); Domier, C. W. [University of California at Davis, Davis, California 95616 (United States); Smith, D. R. [University of Wisconsin-Madison, Madison, Wisconsin 53706 (United States); Yuh, H. [Nova Photonics, Inc., Princeton, New Jersey 08540 (United States)

    2015-12-15

    Theory and experiments have shown that electron temperature gradient (ETG) turbulence on the electron gyro-scale, k{sub ⊥}ρ{sub e} ≲ 1, can be responsible for anomalous electron thermal transport in NSTX. Electron scale (high-k) turbulence is diagnosed in NSTX with a high-k microwave scattering system [D. R. Smith et al., Rev. Sci. Instrum. 79, 123501 (2008)]. Here we report on stabilization effects of the electron density gradient on electron-scale density fluctuations in a set of neutral beam injection heated H-mode plasmas. We found that the absence of high-k density fluctuations from measurements is correlated with large equilibrium density gradient, which is shown to be consistent with linear stabilization of ETG modes due to the density gradient using the analytical ETG linear threshold in F. Jenko et al. [Phys. Plasmas 8, 4096 (2001)] and linear gyrokinetic simulations with GS2 [M. Kotschenreuther et al., Comput. Phys. Commun. 88, 128 (1995)]. We also found that the observed power of electron-scale turbulence (when it exists) is anti-correlated with the equilibrium density gradient, suggesting density gradient as a nonlinear stabilizing mechanism. Higher density gradients give rise to lower values of the plasma frame frequency, calculated based on the Doppler shift of the measured density fluctuations. Linear gyrokinetic simulations show that higher values of the electron density gradient reduce the value of the real frequency, in agreement with experimental observation. Nonlinear electron-scale gyrokinetic simulations show that high electron density gradient reduces electron heat flux and stiffness, and increases the ETG nonlinear threshold, consistent with experimental observations.

  8. The causal relation between turbulent particle flux and density gradient

    Energy Technology Data Exchange (ETDEWEB)

    Milligen, B. Ph. van; Martín de Aguilera, A.; Hidalgo, C. [CIEMAT - Laboratorio Nacional de Fusión, Avda. Complutense 40, 28040 Madrid (Spain); Carreras, B. A. [BACV Solutions, 110 Mohawk Road, Oak Ridge, Tennessee 37830 (United States); García, L.; Nicolau, J. H. [Universidad Carlos III, 28911 Leganés, Madrid (Spain)

    2016-07-15

    A technique for detecting the causal relationship between fluctuating signals is used to investigate the relation between flux and gradient in fusion plasmas. Both a resistive pressure gradient driven turbulence model and experimental Langmuir probe data from the TJ-II stellarator are studied. It is found that the maximum influence occurs at a finite time lag (non-instantaneous response) and that quasi-periodicities exist. Furthermore, the model results show very long range radial influences, extending over most of the investigated regions, possibly related to coupling effects associated with plasma self-organization. These results clearly show that transport in fusion plasmas is not local and instantaneous, as is sometimes assumed.

  9. Basis convergence of range-separated density-functional theory

    CERN Document Server

    Franck, Odile; Luppi, Eleonora; Toulouse, Julien

    2014-01-01

    Range-separated density-functional theory is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into long-range and short-range components, and treating the long-range part by an explicit many-body wave-function method and the short-range part by a density-functional approximation. Among the advantages of using many-body methods for the long-range part of the electron-electron interaction is that they are much less sensitive to the one-electron atomic basis compared to the case of the standard Coulomb interaction. Here, we provide a detailed study of the basis convergence of range-separated density-functional theory. We study the convergence of the partial-wave expansion of the long-range wave function near the electron-electron coalescence. We show that the rate of convergence is exponential with respect to the maximal angular momentum L for the long-range wave function, whe...

  10. Density gradient centrifugation in urografin of Moraxella and Kingella cells and appendages.

    Science.gov (United States)

    Frøholm, L O; Bøvre, K

    1978-04-01

    Purification of fimbriae (pili) by density gradient banding in Urografin medium was attempted. Moraxella nonliquefaciens and Kingella kingae fimbriae were of higher density than their cells of origin, but fimbrial fractions obtained by homogenization and differential centrifugation still banded together with presumed outer membrane fragments and some whole cells in Urografin gradients. The cellular density of genetic variants with different fimbriation/competence levels was also studied. For one strain of M. nonliquefaciens and two strains of K. kingae, cells harvested from agar plates tended to show several bands on isopycnic density gradient centrifugation, with slightly higher general density of fimbriated variants than non-fimbriated. A single density band could be observed with cells from log phase broth cultures of selected strains which showed no distinct difference between fimbriation or competence variants of each strain. Cells of M. nonliquefaciens and M. bovis showed comparable buoyant densities, whereas those of K. kingae had a higher density.

  11. Basis convergence of range-separated density-functional theory.

    Science.gov (United States)

    Franck, Odile; Mussard, Bastien; Luppi, Eleonora; Toulouse, Julien

    2015-02-21

    Range-separated density-functional theory (DFT) is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into long-range and short-range components and treating the long-range part by an explicit many-body wave-function method and the short-range part by a density-functional approximation. Among the advantages of using many-body methods for the long-range part of the electron-electron interaction is that they are much less sensitive to the one-electron atomic basis compared to the case of the standard Coulomb interaction. Here, we provide a detailed study of the basis convergence of range-separated density-functional theory. We study the convergence of the partial-wave expansion of the long-range wave function near the electron-electron coalescence. We show that the rate of convergence is exponential with respect to the maximal angular momentum L for the long-range wave function, whereas it is polynomial for the case of the Coulomb interaction. We also study the convergence of the long-range second-order Møller-Plesset correlation energy of four systems (He, Ne, N2, and H2O) with cardinal number X of the Dunning basis sets cc - p(C)V XZ and find that the error in the correlation energy is best fitted by an exponential in X. This leads us to propose a three-point complete-basis-set extrapolation scheme for range-separated density-functional theory based on an exponential formula.

  12. Reproducible isolation of type II pneumocytes from fetal and adult rat lung using nycodenz density gradients.

    Science.gov (United States)

    Viscardi, R M; Ullsperger, S; Resau, J H

    1992-01-01

    Isolating fresh, relatively pure type II pneumocytes from the lung, particularly of fetal origin, is a difficult process. Separation by buoyant density gradient centrifugation has been used successfully to isolate adult type II cells. There is concern, however, that Percoll, a gradient medium that is commonly used for type II cell isolation, may be toxic to cells. We evaluated a new gradient medium, Nycodenz, that is (1) a true solution, (2) transparent, (3) not metabolized by cells, and (4) nontoxic to cells. Type II pneumocytes were isolated from 19- and 21-day gestation fetal and adult rat lung by elastase digestion and separated on preformed isotonic Nycodenz gradients (2 mL each of 27.6, 20.7, 13.8, and 4.6 (w/v) solutions). Type II pneumocytes were recovered from the density range 1.057-1.061 and identified by binding of FITC-conjugated and gold-complexed Maclura pomifera lectin. Cells derived from 19-day fetal lung contained abundant glycogen and reacted with a monoclonal antibody to the cytokeratins 8 and 18, which are markers of the fetal type II cell. Adult type II cells reacted with antibodies to cytokeratins 8, 18, and 19. Type II cell purity was 79.7 +/- 2.4%, 83.8 +/- 2.8%, and 82.6 +/- 1.8% (means +/- SEM) for 19- and 21-day gestation fetal and adult lung preparations, respectively. Cell viability was greater than 95%. The final cell yield for adult preparations was 17.8 +/- 2.7 x 10(6)/rat (means +/- SEM). To determine if the freshly isolated type II pneumocytes were functionally active, the incorporation of [3H]choline into phosphatidylcholine was measured. The percent saturation of phosphatidylcholine was high for both populations of freshly isolated cells. However, adult type II pneumocytes incorporated [3H]choline into phosphatidylcholine more rapidly than 21-day gestation fetal cells (5.97 x 10(-3) dpm/10(6) cells/h vs. 0.32 x 10(-3) dpm/10(6) cells/h, P less than .005). We have demonstrated that, using the Nycodenz isolation method, it is

  13. Cell Growth on ("Janus") Density Gradients of Bifunctional Zeolite L Crystals.

    Science.gov (United States)

    Kehr, Nermin Seda; Motealleh, Andisheh; Schäfer, Andreas H

    2016-12-28

    Nanoparticle density gradients on surfaces have attracted interest as two-dimensional material surfaces that can mimic the complex nano-/microstructure of the native extracellular matrix, including its chemical and physical gradients, and can therefore be used to systematically study cell-material interactions. In this respect, we report the preparation of density gradients made of bifunctional zeolite L crystals on glass surfaces and the effects of the density gradient and biopolymer functionalization of zeolite L crystals on cell adhesion. We also describe how we created "Janus" density gradient surfaces by gradually depositing two different types of zeolite L crystals that were functionalized and loaded with different chemical groups and guest molecules onto the two distinct sides of the same glass substrate. Our results show that more cells adhered on the density gradient of biopolymer-coated zeolites than on uncoated ones. The number of adhered cells increased up to a certain surface coverage of the glass by the zeolite L crystals, but then it decreased beyond the zeolite density at which a higher surface coverage decreased fibroblast cell adhesion and spreading. Additionally, cell experiments showed that cells gradually internalized the guest-molecule-loaded zeolite L crystals from the underlying density gradient containing bifunctional zeolite L crystals.

  14. Ultrasound imaging for quantitative evaluation of magnetic density separation

    NARCIS (Netherlands)

    Sanaee, S.A.

    2013-01-01

    This thesis is dedicated to an investigation of the potential and technological possibilities of an inline ultrasound system as a quality control system for wet recycling of solid waste. The main targeted recycling technology is magnetic density separation (MDS), a novel technique that was

  15. Ultrasound imaging for quantitative evaluation of magnetic density separation

    NARCIS (Netherlands)

    Sanaee, S.A.

    2013-01-01

    This thesis is dedicated to an investigation of the potential and technological possibilities of an inline ultrasound system as a quality control system for wet recycling of solid waste. The main targeted recycling technology is magnetic density separation (MDS), a novel technique that was investiga

  16. BMP4 density gradient in disk-shaped confinement

    Science.gov (United States)

    Bozorgui, Behnaz; Teimouri, Hamid; Kolomeisky, Anatoly B.

    We present a quantitative model that explains the scaling of BMP4 gradients during gastrulation and the recent experimental observation that geometric confinement of human embryonic stem cells is sufficient to recapitulate much of germ layer patterning. Based on a assumption that BMP4 diffusion rate is much smaller than the diffusion rate of it's inhibitor molecules, our results confirm that the length-scale which defines germ layer territories does not depend on system size.

  17. Iso-geometric shape optimization of magnetic density separators

    DEFF Research Database (Denmark)

    Dang Manh, Nguyen; Evgrafov, Anton; Gravesen, Jens;

    2014-01-01

    Purpose The waste recycling industry increasingly relies on magnetic density separators. These devices generate an upward magnetic force in ferro-fluids allowing to separate the immersed particles according to their mass density. Recently, a new separator design has been proposed that significantly...... covers with B-splines and defines a cost functional that measures the non-uniformity of the magnetic field in an area above the poles. The authors apply an iso-geometric shape optimization procedure, which allows us to accurately represent, analyze and optimize the geometry using only a few design...... variables. The design problem is regularized by imposing constraints that enforce the convexity of the pole cover shapes and is solved by a non-linear optimization procedure. The paper validates the implementation of the algorithm using a simplified variant of the design problem with a known analytical...

  18. Optimized high gradient magnetic separation for isolation of Plasmodium-infected red blood cells

    Directory of Open Access Journals (Sweden)

    Chimma Pattamawan

    2010-02-01

    Full Text Available Abstract Background Highly purified infected red blood cells (irbc, or highly synchronized parasite cultures, are regularly required in malaria research. Conventional isolation and synchronization rely on density and osmotic fragility of irbc, respectively. High gradient magnetic separation (HGMS offers an alternative based on intrinsic magnetic properties of irbc, avoiding exposure to chemicals and osmotic stress. Successful HGMS concentration in malaria research was previously reported using polymer coated columns, while HGMS depletion has not been described yet. This study presents a new approach to both HGMS concentration and depletion in malaria research, rendering polymer coating unnecessary. Methods A dipole magnet generating a strong homogenous field was custom assembled. Polypropylene syringes were fitted with one-way stopcocks and filled with stainless steel wool. Rbc from Plasmodium falciparum cultures were resuspended in density and viscosity optimized HGMS buffers and HGMS processed. Purification and depletion results were analysed by flow cytometer and light microscopy. Viability was evaluated by calculating the infection rate after re-culturing of isolates. Results In HGMS concentration, purity of irbc isolates from asynchronous cultures consistently ranged from 94.8% to 98.4% (mean 95.7%. With further optimization, over 90% of isolated irbc contained segmented schizonts. Processing time was less than 45 min. Reinfection rates ranged from 21.0% to 56.4%. In HGMS depletion, results were comparable to treatment with sorbitol, as demonstrated by essentially identical development of cultures. Conclusion The novel HGMS concentration procedure achieves high purities of segmented stage irbc from standard asynchronous cultures, and is the first HGMS depletion alternative to sorbitol lysis. It represents a simple and highly efficient alternative to conventional irbc concentration and synchronization methods.

  19. Optimized high gradient magnetic separation for isolation of Plasmodium-infected red blood cells.

    Science.gov (United States)

    Bhakdi, Sebastian C; Ottinger, Annette; Somsri, Sangdao; Sratongno, Panudda; Pannadaporn, Peeranad; Chimma, Pattamawan; Malasit, Prida; Pattanapanyasat, Kovit; Neumann, Hartmut P H

    2010-02-02

    Highly purified infected red blood cells (irbc), or highly synchronized parasite cultures, are regularly required in malaria research. Conventional isolation and synchronization rely on density and osmotic fragility of irbc, respectively. High gradient magnetic separation (HGMS) offers an alternative based on intrinsic magnetic properties of irbc, avoiding exposure to chemicals and osmotic stress. Successful HGMS concentration in malaria research was previously reported using polymer coated columns, while HGMS depletion has not been described yet. This study presents a new approach to both HGMS concentration and depletion in malaria research, rendering polymer coating unnecessary. A dipole magnet generating a strong homogenous field was custom assembled. Polypropylene syringes were fitted with one-way stopcocks and filled with stainless steel wool. Rbc from Plasmodium falciparum cultures were resuspended in density and viscosity optimized HGMS buffers and HGMS processed. Purification and depletion results were analysed by flow cytometer and light microscopy. Viability was evaluated by calculating the infection rate after re-culturing of isolates. In HGMS concentration, purity of irbc isolates from asynchronous cultures consistently ranged from 94.8% to 98.4% (mean 95.7%). With further optimization, over 90% of isolated irbc contained segmented schizonts. Processing time was less than 45 min. Reinfection rates ranged from 21.0% to 56.4%. In HGMS depletion, results were comparable to treatment with sorbitol, as demonstrated by essentially identical development of cultures. The novel HGMS concentration procedure achieves high purities of segmented stage irbc from standard asynchronous cultures, and is the first HGMS depletion alternative to sorbitol lysis. It represents a simple and highly efficient alternative to conventional irbc concentration and synchronization methods.

  20. Dual gradient drilling: barite separation from the mud using hydrocyclones; Perfuracao com duplo gradiente: a separacao da barita do fluido de perfuracao utilizando hidrociclones

    Energy Technology Data Exchange (ETDEWEB)

    Carvalho, Aline T.; Medronho, Ricardo A. [Universidade Federal do Rio de Janeiro (UFRJ), Rio de Janeiro, RJ (Brazil). Escola de Quimica

    2004-07-01

    The proximity of the pores pressure and fracture pressure curves in deep water drilling makes it an expensive and complicated operation. It is possible to minimize this problem by reducing the pressure inside the riser at the sea floor level. Injecting low density drilling mud at that point is an alternative, producing a condition called as dual gradient drilling. Hydrocyclones are simple apparatuses and their high capacity and efficiency make them appropriate for operations were the occupied floor space plays an important hole, as in offshore drilling. The idea behind this work is to divide the drilling mud in two streams, one more concentrated in barite for re-injection into the drilling column, and other more diluted for injecting into the riser at the sea floor. In this work, CFD - computational fluid dynamics - was used to investigate barite separation from drilling mud using hydrocyclones. The results indicate that the injection of a lower density mud, less concentrate in barite, in the riser at sea floor level may be a possible and less complicated alternative for dual gradient drilling. (author)

  1. Separation of sulfite, sulfate, and thiosulfate by ion chromatography with gradient elution

    Energy Technology Data Exchange (ETDEWEB)

    Sunden, T. (Univ. of Umea, Sweden); Lindgren, M.; Cedergren, A.; Siemer, D.D.

    1983-01-01

    A simple gradient apparatus, consisting of a peristaitic pump in addition to a standard high-pressure pump, is described. The device is used to make a single-run ion chromotographic separation of sulfite, sulfate, and thiosulfate in less than 15 min. This separation required a step gradient with 4.8 mM NaHCO/sub 3//4.7 mM Na/sub 2/CO/sub 3/ as start eluent and 6.9 mM NaHCO/sub 3//8.6 mM Na/sub 2/CO/sub 3/ is final eluent when two (4 x 50) mm Dionex anion precolumns in series were used as separator. The eluent compositions were simplex optimized.

  2. Integration of the Density Gradient Model into a General Purpose Device Simulator

    Directory of Open Access Journals (Sweden)

    Andreas Wettstein

    2002-01-01

    Full Text Available A generalized Density Gradient model has been implemented into the device simulator Dessis [DESSIS 7.0 reference manual (2001. ISE Integrated Systems Engineering AG, Balgriststrasse 102, CH-8008 Zürich].We describe the multidimensional discretization scheme used and discuss our modifications to the standard Density Gradient model. The evaluation of the model shows good agreement to results obtained by the Schro¨dinger equation.

  3. Novel blind source separation algorithm using Gaussian mixture density function

    Institute of Scientific and Technical Information of China (English)

    孔薇; 杨杰; 周越

    2004-01-01

    The blind source separation (BSS) is an important task for numerous applications in signal processing, communications and array processing. But for many complex sources blind separation algorithms are not efficient because the probability distribution of the sources cannot be estimated accurately. So in this paper, to justify the ME(maximum enteropy) approach, the relation between the ME and the MMI(minimum mutual information) is elucidated first. Then a novel algorithm that uses Gaussian mixture density to approximate the probability distribution of the sources is presented based on the ME approach. The experiment of the BSS of ship-radiated noise demonstrates that the proposed algorithm is valid and efficient.

  4. Semilocal exchange hole with an application to range-separated density functionals

    Science.gov (United States)

    Tao, Jianmin; Bulik, Ireneusz W.; Scuseria, Gustavo E.

    2017-03-01

    The exchange-correlation hole is a central concept in density functional theory. It not only provides justification for an exchange-correlation energy functional but also serves as a local ingredient for nonlocal range-separated density functionals. However, due to the nonlocal nature, modeling the conventional exact exchange hole presents a great challenge to density functional theory. In this work, we propose a semilocal exchange hole underlying the Tao-Perdew-Staroverov-Scuseria (TPSS) meta-generalized gradient approximation functional. Our model is distinct from previous ones not only at small separation between an electron and the hole around the electron but also in the way it interpolates between rapidly varying and slowly varying densities. Here the interpolation is determined by the wave-vector analysis on the infinite-barrier model for a jellium surface. Numerical tests show that our exchange-hole model mimics the conventional exact one quite well for atoms. As a simple application, we apply the hole model to construct a TPSS-based range-separated functional. We find that this range-separated functional can substantially improve the band gaps and barrier heights of TPSS, without losing much accuracy for atomization energies.

  5. Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Analytical gradients.

    Science.gov (United States)

    Łazarski, Roman; Burow, Asbjörn Manfred; Grajciar, Lukáš; Sierka, Marek

    2016-10-30

    A full implementation of analytical energy gradients for molecular and periodic systems is reported in the TURBOMOLE program package within the framework of Kohn-Sham density functional theory using Gaussian-type orbitals as basis functions. Its key component is a combination of density fitting (DF) approximation and continuous fast multipole method (CFMM) that allows for an efficient calculation of the Coulomb energy gradient. For exchange-correlation part the hierarchical numerical integration scheme (Burow and Sierka, Journal of Chemical Theory and Computation 2011, 7, 3097) is extended to energy gradients. Computational efficiency and asymptotic O(N) scaling behavior of the implementation is demonstrated for various molecular and periodic model systems, with the largest unit cell of hematite containing 640 atoms and 19,072 basis functions. The overall computational effort of energy gradient is comparable to that of the Kohn-Sham matrix formation. © 2016 Wiley Periodicals, Inc.

  6. Alternative separation of exchange and correlation energies in range-separated density-functional perturbation theory

    DEFF Research Database (Denmark)

    Cornaton, Y.; Stoyanova, A.; Jensen, Hans Jørgen Aagaard;

    2013-01-01

    An alternative separation of short-range exchange and correlation energies is used in the framework of second-order range-separated density-functional perturbation theory. This alternative separation was initially proposed by Toulouse and relies on a long-range-interacting wave function instead...... expression when expanded in perturbation theory. In contrast to the usual RSDH functionals, RSDHf describes the coupling between long- and short-range correlations as an orbital-dependent contribution. Calculations on the first four noble-gas dimers show that this coupling has a significant effect...

  7. Density gradients and internal dust in the Orion nebula

    Directory of Open Access Journals (Sweden)

    Luc Binette

    2002-01-01

    Full Text Available La estructura de ionización de la nebulosa de Orión puede ser descrita como una piel delgada sobre la superficie de una nube densa. Proponemos que una estratificación en la densidad, descrita por una ley de potencias (n / x_2, donde x es la distancia al frente de ionización, presenta propiedades que concuerdan con nuestros espectros de rendija larga de la nebulosa de Orión. Por ejemplo, existe una relación de unicidad entre el brillo superficial en HB, o la densidad del frente de ionización en [S II], y la escala L de la ley de potencias, donde L es la distancia entre el frente de ionización y el lugar donde comienza a crecer la densidad, cerca de la estrella excitadora. Es necesario incluir polvo interno a fin de obtener un ajuste aceptable a las observaciones tanto de la densidad del [S II], como del brillo superficial en HB. Los modelos que incluyen granos de polvo pequeños proporcionan un mejor ajuste que aquellos con granos grandes. Los gradientes de los cocientes de líneas observados a lo largo de la rendija se reproducen cualitativamente por nuestros modelos de densidad estratificada, suponiendo una temperatura estelar de 38,000 K. La desexcitación colisional parece ser la responsable de la mitad del gradiente observado en el cociente [N II] 5755/[N II] 6583, el cual es sensible a la temperatura. Proponemos que la relación empírica encontrada por Wen & O`Dell (1995 entre la densidad y la distancia a la estrella puede deberse a una estratificación de la densidad en forma de ley de potencias.

  8. Retention prediction and separation optimization under multilinear gradient elution in liquid chromatography with Microsoft Excel macros.

    Science.gov (United States)

    Fasoula, S; Zisi, Ch; Gika, H; Pappa-Louisi, A; Nikitas, P

    2015-05-22

    A package of Excel VBA macros have been developed for modeling multilinear gradient retention data obtained in single or double gradient elution mode by changing organic modifier(s) content and/or eluent pH. For this purpose, ten chromatographic models were used and four methods were adopted for their application. The methods were based on (a) the analytical expression of the retention time, provided that this expression is available, (b) the retention times estimated using the Nikitas-Pappa approach, (c) the stepwise approximation, and (d) a simple numerical approximation involving the trapezoid rule for integration of the fundamental equation for gradient elution. For all these methods, Excel VBA macros have been written and implemented using two different platforms; the fitting and the optimization platform. The fitting platform calculates not only the adjustable parameters of the chromatographic models, but also the significance of these parameters and furthermore predicts the analyte elution times. The optimization platform determines the gradient conditions that lead to the optimum separation of a mixture of analytes by using the Solver evolutionary mode, provided that proper constraints are set in order to obtain the optimum gradient profile in the minimum gradient time. The performance of the two platforms was tested using experimental and artificial data. It was found that using the proposed spreadsheets, fitting, prediction, and optimization can be performed easily and effectively under all conditions. Overall, the best performance is exhibited by the analytical and Nikitas-Pappa's methods, although the former cannot be used under all circumstances.

  9. Predicting Chemical Reactivity from the Charge Density through Gradient Bundle Analysis: Moving beyond Fukui Functions.

    Science.gov (United States)

    Morgenstern, Amanda; Wilson, Timothy R; Eberhart, M E

    2017-06-08

    Predicting chemical reactivity is a major goal of chemistry. Toward this end, atom condensed Fukui functions of conceptual density functional theory have been used to predict which atom is most likely to undergo electrophilic or nucleophilic attack, providing regioselectivity information. We show that the most probable regions for electrophilic attack within each atom can be predicted through analysis of gradient bundle volumes, a property that depends only on the charge density of the neutral molecules. We also introduce gradient bundle condensed Fukui functions to compare the stereoselectivity information obtained from gradient bundle volume analysis. We demonstrate this method using the test set of molecular fluorine, oxygen, nitrogen, carbon monoxide, and hydrogen cyanide.

  10. Horizontal density-gradient effects on simulation of flow and transport in the Potomac Estuary

    Science.gov (United States)

    Schaffranek, Raymond W.; Baltzer, Robert A.; ,

    1990-01-01

    A two-dimensional, depth-integrated, hydrodynamic/transport model of the Potomac Estuary between Indian Head and Morgantown, Md., has been extended to include treatment of baroclinic forcing due to horizontal density gradients. The finite-difference model numerically integrates equations of mass and momentum conservation in conjunction with a transport equation for heat, salt, and constituent fluxes. Lateral and longitudinal density gradients are determined from salinity distributions computed from the convection-diffusion equation and an equation of state that expresses density as a function of temperature and salinity; thus, the hydrodynamic and transport computations are directly coupled. Horizontal density variations are shown to contribute significantly to momentum fluxes determined in the hydrodynamic computation. These fluxes lead to enchanced tidal pumping, and consequently greater dispersion, as is evidenced by numerical simulations. Density gradient effects on tidal propagation and transport behavior are discussed and demonstrated.

  11. Different elution modes and field programming in gravitational field-flow fractionation: field programming using density and viscosity gradients.

    Science.gov (United States)

    Plocková, Jana; Chmelík, Josef

    2006-06-23

    In previous papers, several approaches to programming of the resulting force field in GFFF were described and investigated. The experiments were dealing with flow-velocity and channel thickness, i.e. factors influencing hydrodynamic lift forces (HLF). The potential of density and viscosity of carrier liquid for field programming was predicted and demonstrated by preliminary experiments. This work is devoted to experimental verification of the influence of carrier liquid density and viscosity. Several carrier liquid density and simultaneously viscosity gradients using water-methanol mixtures are in this work implemented in the separation of a model silica mixture. Working with the water-methanol gradients, one is not able to separate the influence of density from the contribution of viscosity. However, we found experimental conditions to show the isolated effect of carrier liquid density (two water-methanol mixtures of equal viscosity differing in their densities). In order to demonstrate the isolated effect of viscosity, we implemented in this work a new system of (hydroxypropyl)methyl cellulose (HPMC) carrier liquids. Three different HPMC compositions enabled to vary the viscosity more than two times at almost constant density. With increasing carrier liquid viscosity, the focusing and elevating trend was clearly pronounced for 5 and 10 microm silica particles. By the isolated effect of increased viscosity, the centre of the 10 microm particle zone was elevated to the streamline at 16% of the channel height. These experiments have shown that the influence of carrier liquid viscosity on HLF should be taken into account even at higher levels above the channel bottom, i.e. beyond the near-wall region. Further, it is shown that higher value of carrier liquid viscosity improves the separation of the model mixture in terms of time and resolution.

  12. Chromatographic separation of three monoclonal antibody variants using multicolumn countercurrent solvent gradient purification (MCSGP).

    Science.gov (United States)

    Müller-Späth, Thomas; Aumann, Lars; Melter, Lena; Ströhlein, Guido; Morbidelli, Massimo

    2008-08-15

    Multicolumn countercurrent solvent gradient purification (MCSGP) is a continuous chromatographic process developed in recent years (Aumann and Morbidelli, 2007a; Aumann et al., 2007) that is particularly suited for applications in the field of bioseparations. Like batch chromatography, MCSGP is suitable for three-fraction chromatographic separations and able to perform solvent gradients but it is superior in terms of solvent consumption, yield, purity, and productivity due to the countercurrent movement of the liquid and the solid phases. In this work, the MCSGP process is applied to the separation of three monoclonal antibody variants on a conventional preparative cation exchange resin. The experimental process performance was compared to simulations based on a lumped kinetic model. Yield and purity values of the target variant of 93%, respectively were obtained experimentally. The batch reference process was clearly outperformed by the MCSGP process.

  13. Natural gradient-based recursive least-squares algorithm for adaptive blind source separation

    Institute of Scientific and Technical Information of China (English)

    ZHU Xiaolong; ZHANG Xianda; YE Jimin

    2004-01-01

    This paper focuses on the problem of adaptive blind source separation (BSS).First, a recursive least-squares (RLS) whitening algorithm is proposed. By combining it with a natural gradient-based RLS algorithm for nonlinear principle component analysis (PCA), and using reasonable approximations, a novel RLS algorithm which can achieve BSS without additional pre-whitening of the observed mixtures is obtained. Analyses of the equilibrium points show that both of the RLS whitening algorithm and the natural gradient-based RLS algorithm for BSS have the desired convergence properties. It is also proved that the combined new RLS algorithm for BSS is equivariant and has the property of keeping the separating matrix from becoming singular. Finally, the effectiveness of the proposed algorithm is verified by extensive simulation results.

  14. Space charge profiles in low density polyethylene samples containing a permittivity/conductivity gradient

    DEFF Research Database (Denmark)

    Bambery, K.R.; Fleming, R.J.; Holbøll, Joachim

    2001-01-01

    .5×107 V m-1. Current density was also measured as a function of temperature and field. Space charge due exclusively to the temperature gradient was detected, with density of order 0.01 C m-3. The activation energy associated with the transport of electrons through the bulk was calculated as 0.09 e...

  15. Evaluation of centrifugation parameters for density gradient experiments by means of a programmable pocket calculator.

    Science.gov (United States)

    Kreutzfeldt, C

    1980-10-01

    A calculation program is proposed suitable for programmable pocket calculators (e.g. HP series) to estimate s20,w f omega2 dt values from density gradient centrifugation data. The program can be applied to linear or exponential density gradients prepared from sucrose or glycerol solutions spun in zonal rotors or swinging bucket rotors. A wide solute concentration range and temperature range is accounted for. Constants for empirical density calculation of glycerol and sucrose solutions concentrated in % (w/v) are estimated. Experimental verification of the program was carried out.

  16. Facile synthesis of gradient mesoporous carbon monolith based on polymerization-induced phase separation

    Science.gov (United States)

    Xu, Shunjian; Luo, Yufeng; Zhong, Wei; Xiao, Zonghu; Luo, Yongping; Ou, Hui; Zhao, Xing-Zhong

    2014-06-01

    In this paper, a gradient mesoporous carbon (GMC) monolith derived from the mixtures of phenolic resin (PF) and ethylene glycol (EG) was prepared by a facile route based on polymerization-induced phase separation under temperature gradient (TG). A graded biphasic structure of PF-rich and EG-rich phases was first formed in preform under a TG, and then the preform was pyrolyzed to obtain the GMC monolith. The TG is mainly induced by the thermal resistance of the preferential phase separation layer at high temperature region. The pore structure of the monolith changes gradually along the TG direction. When the TG varies from 58°C to 29°C, the pore size, apparent porosity and specific surface area of the monolith range respectively from 18 nm to 83 nm, from 32% to 39% and from 140.5 m2/g to 515.3 m2/g. The gradient porous structure of the monolith is inherited from that of the preform, which depends on phase separation under TG in the resin mixtures. The pyrolysis mainly brings about the contraction of the pore size and wall thickness as well as the transformation of polymerized PF into glassy carbon.

  17. Harvesting fresh water and marine algae by magnetic separation: screening of separation parameters and high gradient magnetic filtration.

    Science.gov (United States)

    Cerff, Martin; Morweiser, Michael; Dillschneider, Robert; Michel, Aymeé; Menzel, Katharina; Posten, Clemens

    2012-08-01

    In this study, the focus is on magnetic separation of fresh water algae Chlamydomonas reinhardtii and Chlorella vulgaris as well as marine algae Phaeodactylum tricornutum and Nannochloropsis salina by means of silica-coated magnetic particles. Due to their small size and low biomass concentrations, harvesting algae by conventional methods is often inefficient and cost-consuming. Magnetic separation is a powerful tool to capture algae by adsorption to submicron-sized magnetic particles. Hereby, separation efficiency depends on parameters such as particle concentration, pH and medium composition. Separation efficiencies of >95% were obtained for all algae while maximum particle loads of 30 and 77 g/g were measured for C. reinhardtii and P. tricornutum at pH 8 and 12, respectively. This study highlights the potential of silica-coated magnetic particles for the removal of fresh water and marine algae by high gradient magnetic filtration and provides critical discussion on future improvements. Copyright © 2012 Elsevier Ltd. All rights reserved.

  18. Density-Gradient-Driven trapped-electron-modes in improved-confinement RFP plasmas

    Science.gov (United States)

    Duff, James

    2016-10-01

    Short wavelength density fluctuations in improved-confinement MST plasmas exhibit multiple features characteristic of the trapped-electron-mode (TEM), strong evidence that drift wave turbulence emerges in RFP plasmas when transport associated with MHD tearing is reduced. Core transport in the RFP is normally governed by magnetic stochasticity stemming from long wavelength tearing modes that arise from current profile peaking. Using inductive control, the tearing modes are reduced and global confinement is increased to values expected for a comparable tokamak plasma. The improved confinement is associated with a large increase in the pressure gradient that can destabilize drift waves. The measured density fluctuations have frequencies >50 kHz, wavenumbers k_phi*rho_sglobal tearing modes. Their amplitude increases with the local density gradient, and they exhibit a density-gradient threshold at R/L_n 15, higher than in tokamak plasmas by R/a. the GENE code, modified for RFP equilibria, predicts the onset of microinstability for these strong-gradient plasma conditions. The density-gradient-driven TEM is the dominant instability in the region where the measured density fluctuations are largest, and the experimental threshold-gradient is close to the predicted critical gradient for linear stability. While nonlinear analysis shows a large Dimits shift associated with predicted strong zonal flows, the inclusion of residual magnetic fluctuations causes a collapse of the zonal flows and an increase in the predicted transport to a level close to the experimentally measured heat flux. Similar circumstances could occur in the edge region of tokamak plasmas when resonant magnetic perturbations are applied for the control of ELMs. Work supported by US DOE.

  19. Multispecies Density and Temperature Gradient Dependence of Quasilinear Particle and Energy Fluxes

    Energy Technology Data Exchange (ETDEWEB)

    G. Rewoldt; R.V. Budny; W.M. Tang

    2004-08-09

    The variations of the normalized quasilinear particle and energy fluxes with artificial changes in the density and temperature gradients, as well as the variations of the linear growth rates and real frequencies, for ion temperature gradient and trapped-electron modes, are calculated. The quasilinear fluxes are normalized to the total energy flux, summed over all species. Here, realistic cases for tokamaks and spherical torii are considered which have two impurity species. For situations where there are substantial changes in the normalized fluxes, the ''diffusive approximation,'' in which the normalized fluxes are taken to be linear in the gradients, is seen to be inaccurate. Even in the case of small artificial changes in density or temperature gradients, changes in the fluxes of different species (''off-diagonal'') generally are significant, or even dominant, compared to those for the same species (''diagonal'').

  20. Cosmological constraints from the redshift dependence of the Alcock-Paczynski test: galaxy density gradient field

    CERN Document Server

    Li, Xiao-Dong; Forero-Romero, Jaime E; Kim, Juhan

    2014-01-01

    We propose a method based on the redshift dependence of the Alcock-Paczynski (AP) test to measure the expansion history of the Universe. It uses the isotropy of the galaxy density gradient field to constrain cosmological parameters. If the density parameter $\\Omega_m$ or the dark energy equation of state $w$ are incorrectly chosen, the gradient field appears to be anisotropic with the degree of anisotropy varying with redshift. We use this effect to constrain the cosmological parameters governing the expansion history of the Universe. Although redshift-space distortions (RSD) induced by galaxy peculiar velocities also produce anisotropies in the gradient field, these effects are close to uniform in magnitude over a large range of redshift. This makes the redshift variation of the gradient field anisotropy relatively insensitive to the RSD. By testing the method on mock surveys drawn from the Horizon Run 3 cosmological N-body simulations, we demonstrate that the cosmological parameters can be estimated without...

  1. Separation of transition and heavy metals using stationary phase gradients and thin layer chromatography.

    Science.gov (United States)

    Stegall, Stacy L; Ashraf, Kayesh M; Moye, Julie R; Higgins, Daniel A; Collinson, Maryanne M

    2016-05-13

    Stationary phase gradients for chelation thin layer chromatography (TLC) have been investigated as a tool to separate a mixture of metal ions. The gradient stationary phases were prepared using controlled rate infusion (CRI) from precursors containing mono-, bi-, and tri-dentate ligands, specifically 3-aminopropyltriethoxysilane, N-[3-(trimethoxysilyl)propyl] ethylenediamine, and N-[3-(trimethoxysilyl)propyl] diethylenetriamine. The presence and the extent of gradient formation were confirmed using N1s X-ray photoelectron spectroscopy (XPS). XPS results showed that the degree of modification was dependent on the aminosilane precursor, its concentration, and the rate of infusion. The separation of four transition and heavy metals (Co(2+), Pb(2+), Cu(2+), and Fe(3+)) on gradient and uniformly modified plates was compared using a mobile phase containing a stronger chelating agent, ethylenediaminetetraacetic acid (EDTA). The retention of the metal ions was manipulated by varying the surface concentration of the chelating ligands. The order of retention on unmodified plates and on plates modified with a monodentate ligand was Fe(3+)>Cu(2+)∼Pb(2+)∼Co(2+), while the order of retention on plates modified with bi- and tri-dentate ligands was Fe(3+)>Cu(2+)>Pb(2+)∼Co(2+). Fe(3+) and Cu(2+) were much more sensitive to the concentration of chelating ligand on the surface (displaying lower Rf values with increasing ligand concentration) than Pb(2+) and Co(2+). Complete separation was achieved using a high concentration of the tridentate ligand coupled with a longer time for modification, yielding a retention order of Fe(3+)>Cu(2+)>Co(2+)>Pb(2+). Copyright © 2016 Elsevier B.V. All rights reserved.

  2. Quantitative Magnetic Separation of Particles and Cells Using Gradient Magnetic Ratcheting.

    Science.gov (United States)

    Murray, Coleman; Pao, Edward; Tseng, Peter; Aftab, Shayan; Kulkarni, Rajan; Rettig, Matthew; Di Carlo, Dino

    2016-04-13

    Extraction of rare target cells from biosamples is enabling for life science research. Traditional rare cell separation techniques, such as magnetic activated cell sorting, are robust but perform coarse, qualitative separations based on surface antigen expression. A quantitative magnetic separation technology is reported using high-force magnetic ratcheting over arrays of magnetically soft micropillars with gradient spacing, and the system is used to separate and concentrate magnetic beads based on iron oxide content (IOC) and cells based on surface expression. The system consists of a microchip of permalloy micropillar arrays with increasing lateral pitch and a mechatronic device to generate a cycling magnetic field. Particles with higher IOC separate and equilibrate along the miropillar array at larger pitches. A semi-analytical model is developed that predicts behavior for particles and cells. Using the system, LNCaP cells are separated based on the bound quantity of 1 μm anti-epithelial cell adhesion molecule (EpCAM) particles as a metric for expression. The ratcheting cytometry system is able to resolve a ±13 bound particle differential, successfully distinguishing LNCaP from PC3 populations based on EpCAM expression, correlating with flow cytometry analysis. As a proof-of-concept, EpCAM-labeled cells from patient blood are isolated with 74% purity, demonstrating potential toward a quantitative magnetic separation instrument.

  3. Horizontal Ionospheric Electron Density Gradients Observed by FORMOSAT-3/COSMIC TIP: Spatial Distributions and Effects on VLF Wave Propagation at Mid-Latitudes

    Directory of Open Access Journals (Sweden)

    Damien H. Chua

    2009-01-01

    Full Text Available We investigate the spatial variability of electron densities in the nightside ionosphere and its effects on very-low frequency (VLF wave propagation using a suite of instruments from the FORMOSAT-3/Constellation Observing System for Meteorology Ionosphere and Climate (COSMIC spacecraft.We use observations from the Tiny Ionospheric Photometer (TIP instruments to infer the horizontal electron density gradients along each satellite track. We demonstrate that the OI 1356 _ radiance measured by the TIP instruments tracks the horizontal electron density structure well with high spatial resolution and unprecedented sensitivity. Accurate measurements of the horizontal electron density gradients are important for improving retrieved electron density profiles from GPS occultation and other tomographic remote sensing techniques. The processes underlying the variability in the large-scale, nightside electron density gradients are the main drivers of ionospheric weather. TIP observations reveal significant variability in both the small and large scale structure of the nightside ionosphere. The relative intensities, relative widths, and latitudinal separation of the northern and southern ionization crests of the Appleton anomalies show a high degree of longitudinal variation.We demonstrate how the TIP observations can be used to measure the horizontal gradient of the refractive index of whistler-mode VLF waves propagating in a cold, collisionless plasma. These measurements are critical for understanding how gradients in electron density associated with ionospheric structure such as depletions and the Appleton anomalies affect VLF wave propagation through the equatorial and mid-latitude ionosphere.

  4. Projected gradient algorithms for Hartree-Fock and density matrix functional theory calculations

    Science.gov (United States)

    Cancès, Eric; Pernal, Katarzyna

    2008-04-01

    We present projected gradient algorithms designed for optimizing various functionals defined on the set of N-representable one-electron reduced density matrices. We show that projected gradient algorithms are efficient in minimizing the Hartree-Fock or the Müller-Buijse-Baerends functional. On the other hand, they converge very slowly when applied to the recently proposed BBk (k =1,2,3) functionals [O. Gritsenko et al., J. Chem. Phys. 122, 204102 (2005)]. This is due to the fact that the BBk functionals are not proper functionals of the density matrix.

  5. An Independent Component Analysis Algorithm through Solving Gradient Equation Combined with Kernel Density Estimation

    Institute of Scientific and Technical Information of China (English)

    XUE Yun-feng; WANG Yu-jia; YANG Jie

    2009-01-01

    A new algorithm for linear instantaneous independent component analysis is proposed based on max-imizing the log-likelihood contrast function which can be changed into a gradient equation. An iterative method is introduced to solve this equation efficiently. The unknown probability density functions as well as their first and second derivatives in the gradient equation are estimated by kernel density method. Computer simulations on artificially generated signals and gray scale natural scene images confirm the efficiency and accuracy of the proposed algorithm.

  6. Particle Capture Efficiency in a Multi-Wire Model for High Gradient Magnetic Separation

    CERN Document Server

    Eisenträger, Almut; Griffiths, Ian M

    2014-01-01

    High gradient magnetic separation (HGMS) is an efficient way to remove magnetic and paramagnetic particles, such as heavy metals, from waste water. As the suspension flows through a magnetized filter mesh, high magnetic gradients around the wires attract and capture the particles, removing them from the fluid. We model such a system by considering the motion of a paramagnetic tracer particle through a periodic array of magnetized cylinders. We show that there is a critical Mason number (ratio of viscous to magnetic forces) below which the particle is captured irrespective of its initial position in the array. Above this threshold, particle capture is only partially successful and depends on the particle's entry position. We determine the relationship between the critical Mason number and the system geometry using numerical and asymptotic calculations. If a capture efficiency below 100% is sufficient, our results demonstrate how operating the HGMS system above the critical Mason number but with multiple separa...

  7. Localization of the Proton Pump of Corn Coleoptile Microsomal Membranes by Density Gradient Centrifugation 1

    Science.gov (United States)

    Mandala, Suzanne; Mettler, Irvin J.; Taiz, Lincoln

    1982-01-01

    Previous studies characterizing an ATP-dependent proton pump in microsomal membrane vesicles of corn coleoptiles led to the conclusion that the proton pump was neither mitochondrial nor plasma membrane in origin (Mettler, Mandala, Taiz 1982 Plant Physiol 70: 1738-1742). To facilitate positive identification of the vesicles, corn coleoptile microsomal membranes were fractionated on linear sucrose and dextran gradients, with ATP-dependent [14C]methylamine uptake as a probe for proton pumping. On sucrose gradients, proton pumping activity exhibited a density of 1.11 grams/cubic centimeter and was coincident with the endoplasmic reticulum (ER). In the presence of high magnesium, the ER shifted to a heavier density, while proton pumping activity showed no density shift. On linear dextran gradients, proton pumping activity peaked at a lighter density than the ER. The proton pump appears to be electrogenic since both [14C]SCN− uptake and 36Cl− uptake activities coincided with [14C] methylamine uptake on dextran gradients. On the basis of density and transport properties, we conclude that the proton pumping vesicles are probably derived from the tonoplast. Nigericin-stimulated ATPase activity showed a broad distribution which did not coincide with any one membrane marker. PMID:16662755

  8. Optimization of IC Separation Based on Isocratic-to-Gradient Retention Modeling in Combination with Sequential Searching or Evolutionary Algorithm

    Directory of Open Access Journals (Sweden)

    Šime Ukić

    2013-01-01

    Full Text Available Gradient ion chromatography was used for the separation of eight sugars: arabitol, cellobiose, fructose, fucose, lactulose, melibiose, N-acetyl-D-glucosamine, and raffinose. The separation method was optimized using a combination of simplex or genetic algorithm with the isocratic-to-gradient retention modeling. Both the simplex and genetic algorithms provided well separated chromatograms in a similar analysis time. However, the simplex methodology showed severe drawbacks when dealing with local minima. Thus the genetic algorithm methodology proved as a method of choice for gradient optimization in this case. All the calculated/predicted chromatograms were compared with the real sample data, showing more than a satisfactory agreement.

  9. Reduction of multipartite qubit density matrixes to bipartite qubit density matrixes and criteria of partial separability of multipartite qubit density matrixes

    OpenAIRE

    Zhong, Zai-Zhe

    2004-01-01

    The partial separability of multipartite qubit density matrixes is strictly defined. We give a reduction way from N-partite qubit density matrixes to bipartite qubit density matrixes, and prove a necessary condition that a N-partite qubit density matrix to be partially separable is its reduced density matrix to satisfy PPT condition.

  10. Reduction of multipartite qubit density matrixes to bipartite qubit density matrixes and criteria of partial separability of multipartite qubit density matrixes

    OpenAIRE

    Zhong, Zai-Zhe

    2004-01-01

    The partial separability of multipartite qubit density matrixes is strictly defined. We give a reduction way from N-partite qubit density matrixes to bipartite qubit density matrixes, and prove a necessary condition that a N-partite qubit density matrix to be partially separable is its reduced density matrix to satisfy PPT condition.

  11. Purification of white spot syndrome virus by iodixanol density gradient centrifugation.

    Science.gov (United States)

    Dantas-Lima, J J; Corteel, M; Cornelissen, M; Bossier, P; Sorgeloos, P; Nauwynck, H J

    2013-10-01

    Up to now, only a few brief procedures for purifying white spot syndrome virus (WSSV) have been described. They were mainly based on sucrose, NaBr and CsCl density gradient centrifugation. This work describes for the first time the purification of WSSV through iodixanol density gradients, using virus isolated from infected tissues and haemolymph of Penaeus vannamei (Boone). The purification from tissues included a concentration step by centrifugation (2.5 h at 60,000 g) onto a 50% iodixanol cushion and a purification step by centrifugation (3 h at 80,000 g) through a discontinuous iodixanol gradient (phosphate-buffered saline, 5%, 10%, 15% and 20%). The purification from infected haemolymph enclosed a dialysis step with a membrane of 1,000 kDa (18 h) and a purification step through the earlier iodixanol gradient. The gradients were collected in fractions and analysed. The number of particles, infectivity titre (in vivo), total protein and viral protein content were evaluated. The purification from infected tissues gave WSSV suspensions with a very high infectivity and an acceptable purity, while virus purified from haemolymph had a high infectivity and a very high purity. Additionally, it was observed that WSSV has an unusually low buoyant density and that it is very sensitive to high external pressures.

  12. Investigation of Vapor-Liquid Nucleation for Associating Fluids by Density Gradient Theory

    Institute of Scientific and Technical Information of China (English)

    FU Dong; LIU Jianmin

    2009-01-01

    An equation of state (EOS) applicable to both the uniform and non-uniform associating fluids was established by using the density-gradient expansion, in which the influence parameter κis formulated as a function of tempera-ture. The molecular parameters were regressed by fitting to the experimental data of vapor pressures and liquid den-sities. Within the framework of density gradient theory (DGT), the nucleation rates for water, heavy water, metha-nol, ethanol, 1-propanoi, 1-butanol, 1-pentanol and 1-hexanol were calculated. The results were satisfactory com-pared with the experimental data. Our study shows that DGT preserves all the advantages of density functional the-ory (DFT) in capturing the structure and properties of nucleus but gives much more accurate nucleation rates by adjusting the influence parameter.

  13. Stabilized density gradient theory algorithm for modeling interfacial properties of pure and mixed systems

    CERN Document Server

    Mu, Xiaoqun; Alpak, Faruk O; Chapman, Walter G

    2016-01-01

    Density gradient theory (DGT) allows fast and accurate determination of surface tension and density profile through a phase interface. Several algorithms have been developed to apply this theory in practical calculations. While the conventional algorithm requires a reference substance of the system, a modified "stabilized density gradient theory" (SDGT) algorithm is introduced in our work to solve DGT equations for multiphase pure and mixed systems. This algorithm makes it possible to calculate interfacial properties accurately at any domain size larger than the interface thickness without choosing a reference substance or assuming the functional form of the density profile. As part of DGT inputs, the perturbed chain statistical associating fluid theory (PC-SAFT) equation of state (EoS) was employed for the first time with the SDGT algorithm. PC-SAFT has excellent performance in predicting liquid phase properties as well as phase behaviors. The SDGT algorithm with the PC-SAFT EoS was tested and compared with ...

  14. Analytical nuclear excited-state gradients for the Tamm-Dancoff approximation using uncoupled frozen-density embedding.

    Science.gov (United States)

    Heuser, Johannes; Höfener, Sebastian

    2017-10-15

    We report the derivation and implementation of analytical nuclear gradients for excited states using time-dependent density functional theory using the Tamm-Dancoff approximation combined with uncoupled frozen-density embedding using density fitting. Explicit equations are presented and discussed. The implementation is able to treat singlet as well as triplet states and functionals using the local density approximation, the generalized gradient approximation, combinations with Hartree-Fock exchange (hybrids), and range-separated functionals such as CAM-B3LYP. The new method is benchmarked against supermolecule calculations in two case studies: The solvatochromic shift of the (vertical) fluorescence energy of 4-aminophthalimide on solvation, and the first local excitation of the benzonitrile dimer. Whereas for the 4-aminophthalimide-water complex deviations of about 0.2 eV are obtained to supermolecular calculations, for the benzonitrile dimer the maximum error for adiabatic excitation energies is below 0.01 eV due to a weak coupling of the subsystems. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  15. Vertical density gradient in the eastern North Atlantic during the last 30,000 years

    Energy Technology Data Exchange (ETDEWEB)

    Rogerson, M.; Ramirez, J. [University of Hull, Geography Department, Hull (United Kingdom); Bigg, G.R. [University of Sheffield, Department of Geography, Sheffield (United Kingdom); Rohling, E.J. [University of Southampton, National Oceanography Centre, School of Ocean and Earth Science, Southampton (United Kingdom)

    2012-08-15

    Past changes in the density and momentum structure of oceanic circulation are an important aspect of changes in the Atlantic Meridional Overturning Circulation and consequently climate. However, very little is known about past changes in the vertical density structure of the ocean, even very extensively studied systems such as the North Atlantic. Here we exploit the physical controls on the settling depth of the dense Mediterranean water plume derived from the Strait of Gibraltar to obtain the first robust, observations-based, probabilistic reconstruction of the vertical density gradient in the eastern North Atlantic during the last 30,000 years. We find that this gradient was weakened by more than 50%, relative to the present, during the last Glacial Maximum, and that changes in general are associated with reductions in AMOC intensity. However, we find only a small change during Heinrich Event 1 relative to the Last Glacial Maximum, despite strong evidence that overturning was substantially altered. This implies that millennial-scale changes may not be reflected in vertical density structure of the ocean, which may be limited to responses on an ocean-overturning timescale or longer. Regardless, our novel reconstruction of Atlantic density structure can be used as the basis for a dynamical measure for validation of model-based AMOC reconstructions. In addition, our general approach is transferrable to other marginal sea outflow plumes, to provide estimates of oceanic vertical density gradients in other locations. (orig.)

  16. Calculation of Evaluation Variables for High Gradient Magnetic Separation with an Idealized Capture Model

    CERN Document Server

    Xu, Fengyu

    2016-01-01

    This paper regards feed mine as a mixture of intergrowths and pure non-magnetic mineral particles, presents a method to calculate the evaluation variables such as grade and recovery in high gradient magnetic separation (HGMS). A idealized capture model is constructed in which the interaction between particles is not taken into account and only for the initial aggregation condition that the separator has the highest capture efficiency. In the model we adopt the functions that use nominal particle radius and magnetic mineral content as independent variables to describe volume fraction distribution and capture efficiency of intergrowths respectively. Through adding multi-wire magnetic fields and setting periodic boundary conditions in flow field analysis, we modify the computational domain of the single-wire capture theory to a element domain that periodically appears in the multi-wire matrix. By means of finite element software, particle trajectories, flow field and magnetic field are clearly exhibited, and the...

  17. High gradient magnetic separation versus expanded bed adsorption: a first principle comparison

    DEFF Research Database (Denmark)

    Hubbuch, Jürgen; Matthiesen, D.B.; Hobley, Timothy John

    2001-01-01

    A robust new adsorptive separation technique specifically designed for direct product capture from crude bioprocess feedstreams is introduced and compared with the current bench mark technique, expanded bed adsorption. The method employs product adsorption onto sub-micron sized non...... system exhibited substantially enhanced productivity over expanded bed adsorption when operated at processing velocities greater than 48 m h(-1). Use of the bacitracin- linked magnetic supports for a single cycle of batch adsorption and subsequent capture by high gradient magnetic separation...... at a processing rate of 12 m h(-1) resulted in a 2.2-fold higher productivity relative to expanded bed adsorption, while an increase in adsorbent collection rate to 72 m h(-1) raised the productivity to 10.7 times that of expanded bed adsorption. When the number of batch adsorption cycles was then increased...

  18. Kinetic performance limits of constant pressure versus constant flow rate gradient elution separations. Part I: theory.

    Science.gov (United States)

    Broeckhoven, K; Verstraeten, M; Choikhet, K; Dittmann, M; Witt, K; Desmet, G

    2011-02-25

    We report on a general theoretical assessment of the potential kinetic advantages of running LC gradient elution separations in the constant-pressure mode instead of in the customarily used constant-flow rate mode. Analytical calculations as well as numerical simulation results are presented. It is shown that, provided both modes are run with the same volume-based gradient program, the constant-pressure mode can potentially offer an identical separation selectivity (except from some small differences induced by the difference in pressure and viscous heating trajectory), but in a significantly shorter time. For a gradient running between 5 and 95% of organic modifier, the decrease in analysis time can be expected to be of the order of some 20% for both water-methanol and water-acetonitrile gradients, and only weakly depending on the value of V(G)/V₀ (or equivalently t(G)/t₀). Obviously, the gain will be smaller when the start and end composition lie closer to the viscosity maximum of the considered water-organic modifier system. The assumptions underlying the obtained results (no effects of pressure and temperature on the viscosity or retention coefficient) are critically reviewed, and can be inferred to only have a small effect on the general conclusions. It is also shown that, under the adopted assumptions, the kinetic plot theory also holds for operations where the flow rate varies with the time, as is the case for constant-pressure operation. Comparing both operation modes in a kinetic plot representing the maximal peak capacity versus time, it is theoretically predicted here that both modes can be expected to perform equally well in the fully C-term dominated regime (where H varies linearly with the flow rate), while the constant pressure mode is advantageous for all lower flow rates. Near the optimal flow rate, and for linear gradients running from 5 to 95% organic modifier, time gains of the order of some 20% can be expected (or 25-30% when accounting for

  19. Comparative study on density gradients and swim-up preparation techniques utilizing neat and cryopreserved spermatozoa

    Institute of Scientific and Technical Information of China (English)

    Shyam S.R. Allamaneni; Ashok Agarwal; Sreedhar Rama; Pavithra Ranganathan; Rakesh K. Sharma

    2005-01-01

    Aim: To 1) compare post-wash and post-thaw parameters of sperm processed with PureSperm density gradient technique and swim-up method; and 2) test the efficacy of two commonly available density gradient media PureSperm and Isolate. Methods: This prospective study used semen specimens from 22 patients. Specimens from nine patients were processed by both PureSperm density gradient and swim-up method. These specimens were then cryopreserved.Thirteen specimens were processed by both PureSperm (40 % and 80 %) and Isolate (50 % and 90 %) double density gradient techniques. The two fractions processed by both PureSperm and swim-up were analyzed for post-wash sperm characteristics. Post-thaw analysis was done after 24 hours. Sperm fractions obtained after processing with PureSperm and Isolate were compared for post-wash sperm characteristics and ROS levels. Results: Specimens prepared with PureSperm had significantly higher median total motile sperm counts (TMSC) (32.2 × 106 vs.17.6 × 106), recovery rates (69.2 % vs. 50.0 %), and longevity at 4 hours (83.0 % vs. 55.0 %) compared to specimen prepared by swim-up. Post-thaw specimens also had a higher recovery and longevity at 4 hours with PureSperm as compared to the swim-up. Semen specimens processed by PureSperm had significantly higher total sperm count,TMSC, and percentage recovery rates (30.0 % vs. 19.7 %) than Isolate. Conclusion: Semen quality is better preserved in fresh and cryopreserved semen prepared with PureSperm density gradient compared to swim-up. A significant enrichment of sperm is observed with PureSperm compared to Isolate. Higher recovery rates of mature motile sperm obtained after PureSperm sperm preparation may be beneficial for successful ART.

  20. Particle capture efficiency in a multi-wire model for high gradient magnetic separation

    KAUST Repository

    Eisenträger, Almut

    2014-07-21

    High gradient magnetic separation (HGMS) is an efficient way to remove magnetic and paramagnetic particles, such as heavy metals, from waste water. As the suspension flows through a magnetized filter mesh, high magnetic gradients around the wires attract and capture the particles removing them from the fluid. We model such a system by considering the motion of a paramagnetic tracer particle through a periodic array of magnetized cylinders. We show that there is a critical Mason number (ratio of viscous to magnetic forces) below which the particle is captured irrespective of its initial position in the array. Above this threshold, particle capture is only partially successful and depends on the particle\\'s entry position. We determine the relationship between the critical Mason number and the system geometry using numerical and asymptotic calculations. If a capture efficiency below 100% is sufficient, our results demonstrate how operating the HGMS system above the critical Mason number but with multiple separation cycles may increase efficiency. © 2014 AIP Publishing LLC.

  1. The effect of density gradient on the growth rate of relativistic Weibel instability

    Energy Technology Data Exchange (ETDEWEB)

    Mahdavi, M., E-mail: m.mahdavi@umz.ac.ir [Physics Department, University of Mazandaran, P.O. Box 47415-416, Babolsar (Iran, Islamic Republic of); Khodadadi Azadboni, F., E-mail: f.khodadadi@stu.umz.ac.ir [Physics Department, University of Mazandaran, P.O. Box 47415-416, Babolsar (Iran, Islamic Republic of); Young Researchers Club, Sari Branch, Islamic Azad University, P.O. Box 48161-194, Sari (Iran, Islamic Republic of)

    2014-02-15

    In this paper, the effect of density gradient on the Weibel instability growth rate is investigated. The density perturbations in the near corona fuel, where temperature anisotropy, η, is larger than the critical temperature anisotropy, η{sub c}, (η > η{sub c}), enhances the growth rate of Weibel instability due to the sidebands coupled with the electron oscillatory velocity. But for η < η{sub c}, the thermal spread of the energetic electrons reduces the growth rate. Also, the growth rate can be reduced if the relativistic parameter (Lorentz factor) is sufficiently large, γ > 2. The analysis shows that relativistic effects and density gradient tend to stabilize the Weibel instability. The growth rate can be reduced by 88% by reducing η by a factor of 100 and increasing relativistic parameter by a factor of 3.

  2. Feasibility of turbidity removal by high-gradient superconducting magnetic separation.

    Science.gov (United States)

    Zeng, Hua; Li, Yiran; Xu, Fengyu; Jiang, Hao; Zhang, Weimin

    2015-01-01

    Several studies have focused on pollutant removal by magnetic seeding and high-gradient superconducting magnetic separation (HGSMS). However, few works reported the application of HGSMS for treating non-magnetic pollutants by an industrial large-scale system. The feasibility of turbidity removal by a 600 mm bore superconducting magnetic separation system was evaluated in this study. The processing parameters were evaluated by using a 102 mm bore superconducting magnetic separation system that was equipped with the same magnetic separation chamber that was used in the 600 mm bore system. The double-canister system was used to process water pollutants. Analytical grade magnetite was used as a magnetic seed and the turbidity of the simulated raw water was approximately 110 NTU, and the effects of polyaluminum chloride (PAC) and magnetic seeds on turbidity removal were evaluated. The use of more PAC and magnetic seeds had few advantages for the HGSMS at doses greater than 8 and 50 mg/l, respectively. A magnetic intensity of 5.0 T was beneficial for HGSMS, and increasing the flow rate through the steel wool matrix decreased the turbidity removal efficiency. In the breakthrough experiments, 90% of the turbidity was removed when 100 column volumes were not reached. The processing capacity of the 600 mm bore industry-scale superconducting magnetic separator for turbidity treatment was approximately 78.0 m(3)/h or 65.5 × 10(4) m(3)/a. The processing cost per ton of water for the 600 mm bore system was 0.1 $/t. Thus, the HGSMS separator could be used in the following special circumstances: (1) when adequate space is not available for traditional water treatment equipment, especially the sedimentation tank, and (2) when decentralized sewage treatment HGSMS systems are easier to transport and install.

  3. Space charge profiles in low density polyethylene samples containing a permittivity/conductivity gradient

    DEFF Research Database (Denmark)

    Bambery, K.R.; Fleming, R.J.; Holbøll, Joachim

    2001-01-01

    Laser induced pressure pulse space charge measurements were made on 1.5 mm thick plaques of high purity low density polyethylene equipped with vacuum-evaporated aluminium electrodes. Temperature differences up to 20 °C were maintained across the samples, which were subjected to dc fields up to 1.......5×107 V m-1. Current density was also measured as a function of temperature and field. Space charge due exclusively to the temperature gradient was detected, with density of order 0.01 C m-3. The activation energy associated with the transport of electrons through the bulk was calculated as 0.09 e...

  4. Relative contributions of temperature and salinity to seasonal mixed layer density changes and horizontal density gradients

    OpenAIRE

    Johnson, Gregory C.; Schmidtko, Sunke; Lyman, John M.

    2012-01-01

    Temperature and salinity both contribute to ocean density, including its seasonal cycle and spatial patterns in the mixed layer. Temperature and salinity profiles from the Argo Program allow construction and analysis of a global, monthly, mixed layer climatology. Temperature changes dominate the seasonal cycle of mixed layer density in most regions, but salinity changes are dominant in the tropical warm pools, Arctic, and Antarctic. Under the Intertropical Convergence Zone, temperature and sa...

  5. A collocation method for surface tension calculations with the density gradient theory

    DEFF Research Database (Denmark)

    Larsen, Peter Mahler; Maribo-Mogensen, Bjørn; Kontogeorgis, Georgios M.

    2016-01-01

    Surface tension calculations are important in many industrial applications and over a wide range of temperatures, pressures and compositions. Empirical parachor methods are not suitable over a wide condition range and the combined use of density gradient theory with equations of state has been...... proposed in literature. Often, many millions of calculations are required in the gradient theory methods, which is computationally very intensive. In this work, we have developed an algorithm to calculate surface tensions an order of magnitude faster than the existing methods, with no loss of accuracy...

  6. Effects of density, velocity gradient, and compressibility on side-jet formation in round jets with variable density

    Science.gov (United States)

    Muramatsu, Akinori

    2013-11-01

    When a low density gas compared with the ambient gas is discharged from a round nozzle, side jets that are radial ejections of jet fluid are generated at the initial region of the jet. The density ratio between the jet fluid and the ambient fluid is a main parameter for the side-jet formation. Since the side-jet formation is also related to the instability of shear layer, it depends on the velocity gradient of the shear layer in the jet. The velocity gradient is evaluated by a ratio of the momentum thickness and the nozzle diameter at the nozzle exit. Compressibility suppresses the instability and the generation of the side jets. The compressibility is evaluated by a Mach number, which is a ratio defined by an issuing velocity of the jet and a sound velocity in the ambient fluid. Influence of these three parameters on the side-jet formation was examined experimentally. The density ratio and momentum thickness ratio were varied from 0.14 to 1.53, and from 14 to 155, respectively. The Mach number was varied to 0.7. Existence of side jets was confirmed by flow visualization using a laser sheet. Domains for the side-jet formation by the density ratio, the momentum thickness ratio, and the Mach number were determined.

  7. Excitation energies from range-separated time-dependent density and density matrix functional theory.

    Science.gov (United States)

    Pernal, Katarzyna

    2012-05-14

    Time-dependent density functional theory (TD-DFT) in the adiabatic formulation exhibits known failures when applied to predicting excitation energies. One of them is the lack of the doubly excited configurations. On the other hand, the time-dependent theory based on a one-electron reduced density matrix functional (time-dependent density matrix functional theory, TD-DMFT) has proven accurate in determining single and double excitations of H(2) molecule if the exact functional is employed in the adiabatic approximation. We propose a new approach for computing excited state energies that relies on functionals of electron density and one-electron reduced density matrix, where the latter is applied in the long-range region of electron-electron interactions. A similar approach has been recently successfully employed in predicting ground state potential energy curves of diatomic molecules even in the dissociation limit, where static correlation effects are dominating. In the paper, a time-dependent functional theory based on the range-separation of electronic interaction operator is rigorously formulated. To turn the approach into a practical scheme the adiabatic approximation is proposed for the short- and long-range components of the coupling matrix present in the linear response equations. In the end, the problem of finding excitation energies is turned into an eigenproblem for a symmetric matrix. Assignment of obtained excitations is discussed and it is shown how to identify double excitations from the analysis of approximate transition density matrix elements. The proposed method used with the short-range local density approximation (srLDA) and the long-range Buijse-Baerends density matrix functional (lrBB) is applied to H(2) molecule (at equilibrium geometry and in the dissociation limit) and to Be atom. The method accounts for double excitations in the investigated systems but, unfortunately, the accuracy of some of them is poor. The quality of the other

  8. Effect of buffer concentration on gradient chromatofocusing performance separating protiens on a high-performance DEAE column.

    Science.gov (United States)

    Shan, L; Anderson, D J

    2001-02-16

    Gradient chromatofocusing is a recently developed chromatographic technique that overcomes the limitations of conventional chromatofocusing. This technique employs a HPLC gradient system and simple low-molecular-mass buffer components to generate linear or other function pH gradients on ion-exchange columns. Results of the present work show a superior separation of beta-lactoglobulin A and B in gradient chromatofocusing compared to salt gradient chromatography using the same DEAE column, with an optimized resolution of 2.3 obtained with gradient chromatofocusing compared to 1.1 obtained with NaCl gradients at constant pH. A significant advantage of the gradient chromatofocusing technique over the conventional chromatofocusing technique is its ability to employ a relatively wide range of buffer concentrations in the mobile phase, the effect of which is studied in the present work. Five proteins (conalbumin, ovalbumin, bovine serum albumin, beta-lactoglobulin A and B) are chromatographed on a DEAE-polymethacrylate HPLC anion-exchange column using the same approximately linear pH gradient profile but different mobile phase buffer concentrations. Results show a significant effect of buffer concentration on peak width, separation factor and resolution. For example, resolution increases from 1.5 to 2.3 in the separation of beta-lactoglobulin A and B when the concentration of each of the components in the 100% elution buffer is increased from 6.25 to 25.0 mM (with the same outlet pH gradient). This separation trend is also seen in the chromatography of ovalbumin from a commercial source, noting a progressive increase in resolution of two peaks in the sample (resolution increased from 0.7 to 2.4) when the concentration of each of the components in the 100% elution buffer is increased from 6.25 to 37.5 mM (same outlet pH gradient). The gains in the resolution are attributed to an increase in the separation factor, since the peak widths are generally noted to also increase

  9. Pitfalls of using the geometric-mean combining rule in the density gradient theory

    DEFF Research Database (Denmark)

    Liang, Xiaodong; Michelsen, Michael Locht; Kontogeorgis, Georgios

    2016-01-01

    It is popular and attractive to model the interfacial tension using the density gradient theory with the geometric-mean combining rule, in which the same equation of state is used for the interface and bulk phases. The computational efficiency is the most important advantage of this theory. In th...... the interface could be considered as a warning for the unsuccessful applications of the geometric-mean density gradient theory combined with the chosen thermodynamic model, even if numerical pitfalls do not occur. (C) 2016 Elsevier B.V. All rights reserved.......It is popular and attractive to model the interfacial tension using the density gradient theory with the geometric-mean combining rule, in which the same equation of state is used for the interface and bulk phases. The computational efficiency is the most important advantage of this theory....... In this work, it has been mathematically shown that the theory fails if the solution profile is not monotonic in the path function, which is defined as the summation of the density multiplied by the square root of the influence parameter over all components. A computational solution procedure is then presented...

  10. Baroclinic pressure gradient difference schemes of subtracting the local averaged density stratification in sigma coordinates models

    Institute of Scientific and Technical Information of China (English)

    ZHU Shouxian; ZHANG Wenjing

    2008-01-01

    Much has been written of the error in computing the baroclinic pressure gradient (BPG) with sigma coordinates in ocean or atmos- pheric numerical models. The usual way to reduce the error is to subtract area-averaged density stratification of the whole computa- tion region. But if there is great difference between the area-averaged and the local averaged density stratification, the error will be obvious. An example is given to show that the error from this method may be larger than that from no correction sometimes. The definition of local area is put forward. Then, four improved BPG difference schemes of subtracting the local averaged density strat- ification are designed to reduce the error. Two of them are for diagnostic calculation (density field is fixed), and the others are for prognostic calculation (density field is not fixed). The results show that the errors from these schemes all significantly decrease.

  11. Capillary flow-driven microfluidic device with wettability gradient and sedimentation effects for blood plasma separation

    Science.gov (United States)

    Maria, M. Sneha; Rakesh, P. E.; Chandra, T. S.; Sen, A. K.

    2017-01-01

    We report a capillary flow-driven microfluidic device for blood-plasma separation that comprises a cylindrical well between a pair of bottom and top channels. Exposure of the well to oxygen-plasma creates wettability gradient on its inner surface with its ends hydrophilic and middle portion hydrophobic. Due to capillary action, sample blood self-infuses into bottom channel and rises up the well. Separation of plasma occurs at the hydrophobic patch due to formation of a ‘self-built-in filter’ and sedimentation. Capillary velocity is predicted using a model and validated using experimental data. Sedimentation of RBCs is explained using modified Steinour’s model and correlation between settling velocity and liquid concentration is found. Variation of contact angle on inner surface of the well is characterized and effects of well diameter and height and dilution ratio on plasma separation rate are investigated. With a well of 1.0 mm diameter and 4.0 mm height, 2.0 μl of plasma was obtained (from <10 μl whole blood) in 15 min with a purification efficiency of 99.9%. Detection of glucose was demonstrated with the plasma obtained. Wetting property of channels was maintained by storing in DI water under vacuum and performance of the device was found to be unaffected over three weeks. PMID:28256564

  12. Capillary flow-driven microfluidic device with wettability gradient and sedimentation effects for blood plasma separation

    Science.gov (United States)

    Maria, M. Sneha; Rakesh, P. E.; Chandra, T. S.; Sen, A. K.

    2017-03-01

    We report a capillary flow-driven microfluidic device for blood-plasma separation that comprises a cylindrical well between a pair of bottom and top channels. Exposure of the well to oxygen-plasma creates wettability gradient on its inner surface with its ends hydrophilic and middle portion hydrophobic. Due to capillary action, sample blood self-infuses into bottom channel and rises up the well. Separation of plasma occurs at the hydrophobic patch due to formation of a ‘self-built-in filter’ and sedimentation. Capillary velocity is predicted using a model and validated using experimental data. Sedimentation of RBCs is explained using modified Steinour’s model and correlation between settling velocity and liquid concentration is found. Variation of contact angle on inner surface of the well is characterized and effects of well diameter and height and dilution ratio on plasma separation rate are investigated. With a well of 1.0 mm diameter and 4.0 mm height, 2.0 μl of plasma was obtained (from purification efficiency of 99.9%. Detection of glucose was demonstrated with the plasma obtained. Wetting property of channels was maintained by storing in DI water under vacuum and performance of the device was found to be unaffected over three weeks.

  13. The separation of transudates and exudates with particular reference to the protein gradient.

    Science.gov (United States)

    Romero-Candeira, Santiago; Hernández, Luis

    2004-07-01

    The separation of pleural transudates from exudates, as the first step in the study of pleural effusions of unknown cause, is generally accepted as a useful practice. However, the optimal way to do this remains moot. New and more sophisticated biochemical markers have been proposed together, with new approaches to the interpretation of the results. Nevertheless, new studies have consolidated the criteria of Light et al. as those with a better accuracy. Effective diuresis increases the concentration of most pleural biochemical parameters used to differentiate transudates from exudates and appears as the main cause of the failures of this dichotomic approach. Among the alternative criteria proposed for identifying transudates in the setting of diuresis, the total protein gradient between serum and pleural fluid seems to be the most cost effective. Together with clinical judgment, the use of biochemical criteria seems mandatory. The criteria of Light et al. remain those of election. In the setting of effective diuresis, the use of the protein gradient is recommended. Although new and more sophisticated markers have been tested, it seems that looking for the causes of misclassification, when applying the criteria that to date have shown better efficiency, deserves preferential investigation.

  14. Recent development of high gradient superconducting magnetic separator for kaolin in China

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Zian; Wang, Meifen; Ning, Fei Peng; Yang, Huan; Zhang, Guoqing; Hou, Zhi Long; Liu, Zhaong Xiu; Dai, Zhong [Institute of High Energy Physics and University of Chinese Academy of Sciences, Beijing (China); Li, Pei Yong; Zhang, Yiting; Wang, Zhaolian [Weifang Xinli Superconducting Technology Co.,Ltd., Weifang (China)

    2017-03-15

    A series of high gradient superconducting magnetic separator (HGMS) for kaolin has been developed. It is used for processing kaolin to increase the brightness or whiteness whether it is for paper or ceramic applications. The HGMS system mainly consists of a solenoid magnet with a zero boil-off helium cryostat, a double reciprocating canisters system, and a PLC (Process Logic Controller) fully automatic control system based on SCADA (Supervisory Control and Data Acquisition) system. We have successfully developed CGC-5.5/300 and CGC-5.0/500 HGMS systems in the recent years, and now three sets of them are on-site operation in different customers. This paper will present recent progress of the HGMS system, the results of some experiments on processing kaolin clay used HGMS, and the on-site operation.

  15. Effect of semen extender and density gradient centrifugation on the motility and fertility of turkey spermatozoa.

    Science.gov (United States)

    Morrell, J M; Persson, B; Tjellström, H; Laessker, A; Nilsson, H; Danilova, M; Holmes, P V

    2005-12-01

    In the absence of commercially viable methods for cryopreserving turkey spermatozoa, new processing methods are required to extend the functional life of stored turkey spermatozoa for artificial insemination. The present study evaluates the efficacy of a new extender (Turkey Semen Extend) and investigates the use of density gradient centrifugation in processing turkey spermatozoa for artificial insemination. The new extender is compared with two commercially available turkey semen extenders, Beltsville Poultry Semen Extender and Ovodyl. Turkey spermatozoa in Turkey Semen Extend were still motile 20 h after collection, representing a considerable improvement over the other semen extenders (40%, 0% and 8% for Turkey Semen Extend, Beltsville Poultry Semen Extender and Ovodyl, respectively). A field trial on a commercial turkey farm showed improved fertilization rates following insemination of turkey hens with semen extended in Turkey Semen Extend (89.7%) compared with Beltsville Poultry Semen Extender (86.9%). This difference is statistically significant (p < 0.05). Processing on a density gradient, optimized for turkey spermatozoa, also increased sperm survival (50% gradient-prepared spermatozoa still motile after 18 h compared with <10% non-processed spermatozoa). Preliminary studies indicate that gradient preparation of spermatozoa may aid survival during cryopreservation.

  16. The effects of lateral density gradients, slopes and buoyancy on channel flow: 1D analytical solutions and applications to the SE Canadian Cordillera

    Science.gov (United States)

    Gervais, Félix; Ranalli, Giorgio

    2017-08-01

    We present 1D analytical solutions for channel flow in orogens driven by various types of pressure gradients. Our calculations demonstrate that lateral density gradients in the upper crust, such as would occur across a suture zone separating arc rocks from pericratonic sediments provide a driving force for Poiseuille flow as large as topographic gradients observed in modern mountain belts. For cases for which the gradients are external (topographic and lateral density gradients) and internal (e.g. partial melting of channel material) to the channel, inclination decreases and increases the Poiseuille component of the average flow-velocity within the channel by the cosine and sine of the slope, respectively. The magnitude of the pressure gradient consequent upon the buoyancy generated by partial melting of metapelites in a channel with a 30° slope, such as would occur above an underthrusting basement ramp, is similar to that of topographic or lateral density gradients. Channel flow up a ramp could thus constitute an important exhumation mechanism in large hot orogens. Our calculations indicate that mid-crustal channel flow was a highly likely process in the Late Cretaceous-Paleocene setting of the southeastern Canadian Cordillera. The flow was first driven by the lateral density contrast between pericratonic sediments and the arc-related Intermontane terrane, then by combined effect of topographic gradient and melt-induced buoyancy of the Lower Selkirk Allochthon (part of the Shuswap Complex). Flow up the underthrusting basement ramp resulted in exhumation from mid- to upper-crustal levels. Channel flow then migrated downward to involve basement and overlying cover sequence rocks. Our results indicate that syn-convergent channel flow was a viable and very likely process in the southeastern Canadian Cordillera.

  17. Variable density sampling based on physically plausible gradient waveform. Application to 3D MRI angiography

    CERN Document Server

    Chauffert, Nicolas; Boucher, Marianne; Mériaux, Sébastien; CIUCIU, Philippe

    2015-01-01

    Performing k-space variable density sampling is a popular way of reducing scanning time in Magnetic Resonance Imaging (MRI). Unfortunately, given a sampling trajectory, it is not clear how to traverse it using gradient waveforms. In this paper, we actually show that existing methods [1, 2] can yield large traversal time if the trajectory contains high curvature areas. Therefore, we consider here a new method for gradient waveform design which is based on the projection of unrealistic initial trajectory onto the set of hardware constraints. Next, we show on realistic simulations that this algorithm allows implementing variable density trajectories resulting from the piecewise linear solution of the Travelling Salesman Problem in a reasonable time. Finally, we demonstrate the application of this approach to 2D MRI reconstruction and 3D angiography in the mouse brain.

  18. Analytic calculations of hyper-Raman spectra from density functional theory hyperpolarizability gradients

    Energy Technology Data Exchange (ETDEWEB)

    Ringholm, Magnus; Ruud, Kenneth [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromsø – The Arctic University of Norway, 9037 Tromsø (Norway); Bast, Radovan [Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology, AlbaNova University Center, S-10691 Stockholm (Sweden); PDC Center for High Performance Computing, Royal Institute of Technology, S-10044 Stockholm (Sweden); Oggioni, Luca [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromsø – The Arctic University of Norway, 9037 Tromsø (Norway); Department of Physics G. Occhialini, University of Milano Bicocca, Piazza della scienza 3, 20126 Milan (Italy); Ekström, Ulf [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, 0315 Oslo (Norway)

    2014-10-07

    We present the first analytic calculations of the geometrical gradients of the first hyperpolarizability tensors at the density-functional theory (DFT) level. We use the analytically calculated hyperpolarizability gradients to explore the importance of electron correlation effects, as described by DFT, on hyper-Raman spectra. In particular, we calculate the hyper-Raman spectra of the all-trans and 11-cis isomers of retinal at the Hartree-Fock (HF) and density-functional levels of theory, also allowing us to explore the sensitivity of the hyper-Raman spectra on the geometrical characteristics of these structurally related molecules. We show that the HF results, using B3LYP-calculated vibrational frequencies and force fields, reproduce the experimental data for all-trans-retinal well, and that electron correlation effects are of minor importance for the hyper-Raman intensities.

  19. Analytic calculations of hyper-Raman spectra from density functional theory hyperpolarizability gradients

    Science.gov (United States)

    Ringholm, Magnus; Bast, Radovan; Oggioni, Luca; Ekström, Ulf; Ruud, Kenneth

    2014-10-01

    We present the first analytic calculations of the geometrical gradients of the first hyperpolarizability tensors at the density-functional theory (DFT) level. We use the analytically calculated hyperpolarizability gradients to explore the importance of electron correlation effects, as described by DFT, on hyper-Raman spectra. In particular, we calculate the hyper-Raman spectra of the all-trans and 11-cis isomers of retinal at the Hartree-Fock (HF) and density-functional levels of theory, also allowing us to explore the sensitivity of the hyper-Raman spectra on the geometrical characteristics of these structurally related molecules. We show that the HF results, using B3LYP-calculated vibrational frequencies and force fields, reproduce the experimental data for all-trans-retinal well, and that electron correlation effects are of minor importance for the hyper-Raman intensities.

  20. [gamma]-ray CT examination of density gradients in slip ceramics: correlation with stress distribution

    Energy Technology Data Exchange (ETDEWEB)

    Sawicka, B.D. (AECL Research, Chalk River Labs., Ontario (Canada)); Murphy, J.G.; Taheri, F.; Kanary, L.E. (Advanced Materials Engineering Centre, Halifax, Nova Scotia (Canada))

    1992-06-01

    Residual stresses caused by processing techniques reduce the safe allowable design life of components. This is especially critical for brittle materials, like ceramics, which do not exhibit plastic deformation. During development of the manufacturing process for an experimental high-precision ceramic component, a characteristic cracking pattern occurred in a series of prototypes, which suggested development of stresses during densification, either during drying or sintering. To examine parameters which may influence the development of these residual stresses, a series of simple geometry specimens were prepared and characterized for density gradients using computed tomography (CT). Using the measured values of density gradients, a model of the sintering process was made and the resultant stress distribution in the parts calculated. Results indicate that the use of nonlinear finite element analysis in conjunction with hypoelastic materials modeling qualitatively represents the sintering stresses.

  1. γ-ray CT examination of density gradients in slip cast ceramics: correlation with stress distribution

    Science.gov (United States)

    Sawicka, B. D.; Murphy, J. G.; Taheri, F.; Kanary, L. E.

    1992-06-01

    Residual stresses caused by processing techniques reduce the safe allowable design life of components. This is especially critical for brittle materials, like ceramics, which do not exhibit plastic deformation. During development of the manufacturing process for an experimental high-precision ceramic component, a characteristic cracking pattern occurred in a series of prototypes, which suggested development of stresses during densification, either during drying or sintering. To examine parameters which may influence the development of these residual stresses, a series of simple geometry specimens were prepared and characterized for density gradients using computed tomography (CT). Using the measured values of density gradients, a model of the sintering process was made and the resultant stress distribution in the parts calculated. Results indicate that the use of nonlinear finite element analysis in conjunction with hypoelastic materials modelling qualitatively represents the sintering stresses.

  2. Phase-mixing self-injection into wakefield acceleration structure driven in a rising density gradient

    Science.gov (United States)

    Sahai, Aakash

    2015-11-01

    We model the phase-mixing self-injection of electrons into the plasma-wakefield acceleration structures driven in a longitudinally rising density gradient. In several laser-plasma acceleration experiments a long tail of accelerated electrons of different energies is experimentally observed. Self-injection is the process where some of the plasma electrons lose coherence with the wave due to non-linearities. The non-linearity is inherently and intentionally induced in the plasma oscillations due to the variation of the restoring force along the rising density gradient. These electrons then get trapped in and propagate with the accelerating phase of the plasma-wave. The onset of trapping is shown to scale with the gradient of the rising density and the amplitude of oscillations using the phase-mixing model. We computationally verify the phase-mixing model in planar geometry using PIC codes. The trapping of electrons in cylindrical electron plasma oscillations in the non-linear regime is verified with scaling similar to the planar geometry phase-mixing model. A full theory of longitudinal phase-mixing of radial oscillations is currently underway. The importance of this work for laser-plasma acceleration lies in consistently accelerating just the desired mono-energetic bunch. Work supported by the US Department of Energy under DE-SC0010012 and the National Science Foundation under NSF-PHY-0936278. Done...processed 1928 records...14:16:38

  3. A spatially resolved nucleic acid biochip based on a gradient of density of immobilized probe oligonucleotide

    Energy Technology Data Exchange (ETDEWEB)

    Park, Sung Han [Chemical Sensors Group, Department of Chemical and Physical Sciences, University of Toronto at Mississauga, 3359 Mississauga Road North, Mississauga, Ontario, L5L 1C6 (Canada); Krull, Ulrich [Chemical Sensors Group, Department of Chemical and Physical Sciences, University of Toronto at Mississauga, 3359 Mississauga Road North, Mississauga, Ontario, L5L 1C6 (Canada)]. E-mail: ukrull@utm.utoronto.ca

    2006-04-06

    The potential for a new biochip design based on a continuous gradient of density of immobilized single-stranded DNA oligonucleotide probes (ssDNA) is explored. This gradient resolved information platform (GRIP) can provide sequence identification based on the spatial location and extent of hybridization by a target sequence. Surfaces based on indium-tin oxide (ITO) on glass were first functionalized by 3-aminopropyltriethoxysilane (APTES) followed by attachment of glutaraldehyde, prior to immobilization of oligonucleotide probe that was terminated with amine. The use of Cy{sub 3} and Cy{sub 5} dye-labelled ssDNA probes and targets allowed estimation of density and correlation of the location of binding of labelled targets. Probe molecules of 20 mer lengths were loaded to produce density gradients in the range of 1.0-200 ng/mm{sup 2}. The biochips could resolve a mixture of fully complementary five base-pair mismatched targets by the location of binding on the surface. Thermal control provided additional selectivity. Thermal cycling and washing provided for regeneration of the surface, and the fluorescence intensities showed no deterioration in at least five cycles of hybridization reactions.

  4. The influence of near-wall density and viscosity gradients on turbulence in channel flows

    CERN Document Server

    Patel, Ashish; Pecnik, Rene

    2016-01-01

    The influence of near-wall density and viscosity gradients on near-wall turbulence in a channel are studied by means of Direct Numerical Simulation (DNS) of the low-Mach number approximation of the Navier--Stokes equations. Different constitutive relations for density and viscosity as a function of temperature are used in order to mimic a wide range of fluid behaviours and to develop a generalised framework for studying turbulence modulations in variable property flows. Instead of scaling the velocity solely based on local density, as done for the van Driest transformation, we derive an extension of the scaling that is based on gradients of the semi-local Reynolds number $Re_\\tau^*$. This extension of the van Driest transformation is able to collapse velocity profiles for flows with near-wall property gradients as a function of the semi-local wall coordinate. However, flow quantities like mixing length, turbulence anisotropy and turbulent vorticity fluctuations do not show a universal scaling very close to th...

  5. Multiproduct high-resolution monoclonal antibody charge variant separations by pH gradient ion-exchange chromatography.

    Science.gov (United States)

    Farnan, Dell; Moreno, G Tony

    2009-11-01

    In the biotechnology industry, ion-exchange chromatography is widely used for profiling the charge heterogeneity of proteins, including monoclonal antibodies. Ionic strength based ion exchange separations, while having excellent resolving power and robustness, are product specific and time-consuming to develop. In the present work, a pH gradient based separation using a cation exchange column is described and shown to be a multiproduct charge sensitive separation method for monoclonal antibodies. Simple mixtures of defined buffer components were used to generate the pH-gradients that separate closely related antibody species. The form of the pH gradient was controlled and optimized by the pump as well as the buffer composition if necessary. During this work, the buffer compositions for the separation were optimized in parallel for several MAbs. The data shows that the multiproduct method is optimal for all of the MAbs studied. Operational aspects of the separation such as column chemistry, column length, and sample matrix indicate a very robust method. The pH gradient ion-exchange method is demonstrated to have significant resolving power and peak capacities far in excess of what we would expect for ionic strength elution ion-exchange. Data obtained demonstrates that the separation is relatively insensitive to column length. Direct analysis (no buffer exchange) of samples in matrixes consistent with in-process manufacturing pools is demonstrated. Such a capability is extremely useful for the high throughput evaluation of in-process and final product samples.

  6. The effect of longitudinal density gradient on electron plasma wake field acceleration

    CERN Document Server

    Tsiklauri, David

    2016-01-01

    3-, 2- and 1-dimensional, particle-in-cell, fully electromagnetic simulations of electron plasma wake field acceleration in the blow out regime are presented. Earlier results are extended by (i) studying the effect of longitudinal density gradient; (ii) avoiding use of co-moving simulation box; (iii) inclusion of ion motion; and (iv) studying fully electromagnetic plasma wake fields. It is established that injecting driving and trailing electron bunches into a positive density gradient of ten-fold increasing density over 10 cm long Lithium vapor plasma, results in spatially more compact and three times larger, compared to the uniform density case, electric fields (-6.4 x 10^{10} V/m), leading to acceleration of the trailing bunch up to 24.4 GeV (starting from initial 20.4 GeV), with an energy transfer efficiencies from leading to trailing bunch of 75 percent. In the uniform density case -2.5 x 10^{10} V/m wake is created leading to acceleration of the trailing bunch up to 22.4 GeV, with an energy transfer eff...

  7. Efficient separation of semiconducting single-wall carbon nanotubes by surfactant-composition gradient in gel filtration

    Science.gov (United States)

    Thendie, Boanerges; Omachi, Haruka; Miyata, Yasumitsu; Shinohara, Hisanori

    2017-01-01

    Gel filtration is a powerful method of separating and purifying semiconducting single-wall carbon nanotubes (s-SWCNTs) from their metallic (m-) counterpart. However, a small amount of m-SWCNTs usually remains, thus reducing the purity of the s-SWCNTs obtained. We have investigated the effect of elution with a gradient concentration of the surfactant on the separation and purity of s-SWCNTs. By utilizing the controlled low-gradient elution (CLGE) that we have developed, the purity of s-SWCNTs is improved to 94% from the 90% obtained with the conventional separation. Furthermore, CLGE simultaneously allows diameter-based separation of small-diameter s-SWCNTs, which indicates a promising utilization of CLGE for s-SWCNT separation.

  8. The non-singular Green tensor of Mindlin's anisotropic gradient elasticity with separable weak non-locality

    Energy Technology Data Exchange (ETDEWEB)

    Lazar, Markus, E-mail: lazar@fkp.tu-darmstadt.de [Heisenberg Research Group, Department of Physics, Darmstadt University of Technology, Hochschulstr. 6, D-64289 Darmstadt (Germany); Po, Giacomo, E-mail: gpo@ucla.edu [Department of Mechanical and Aerospace Engineering, University of California Los Angeles, Los Angeles, CA 90095 (United States)

    2015-07-31

    In this paper, we derive the Green tensor of anisotropic gradient elasticity with separable weak non-locality, a special version of Mindlin's form II anisotropic gradient elasticity theory with up to six independent length scale parameters. The framework models materials where anisotropy is twofold, namely the bulk material anisotropy and a weak non-local anisotropy relevant at the nano-scale. In contrast with classical anisotropic elasticity, it is found that both the Green tensor and its gradient are non-singular at the origin, and that they rapidly converge to their classical counterparts away from the origin. Therefore, the Green tensor of Mindlin's anisotropic gradient elasticity with separable weak non-locality can be used as a physically-based regularization of the classical Green tensor for materials with strong anisotropy. - Highlights: • Theory of Mindlin's anisotropic gradient elasticity with separable weak non-locality is presented. • The non-singular (3D) Green tensor is given. • The gradient of the non-singular Green tensor is calculated.

  9. Inhomogeneous radiation degradation in polymers studied with a density gradient column

    Science.gov (United States)

    Gillen, K. T.; Clough, R. L.

    Radiation dose-rate effects are known to exist in many polymers and are typically caused by oxidation reactions. Since the buildup of oxidation products often leads to an increase in polymer density, a density gradient column was used in a novel way to study the mechanisms responsible for dose-rate effects in a commercial ethylene propylene rubber (EPR) electrical cable insulation material. After various aging conditions, density profiles of samples were obtained by measuring the density of small pieces cut successively from the outside to the inside of the approximately 1-mm thick insulation. By monitoring density profiles as a function of dose rate and total radiation dose, two inhomogeneous mechanisms were found to be responsible for the observed dose-rate effects in this EPR material. At high dose rates, oxygen-diffusion-limited degradation was identified, as evidenced by a density profile which showed increased density near the air-exposed surfaces of the insulation but little change in density in the interior of the sample. As the dose rate was lowered, the oxidation region spread inward until it encompassed the entire sample at dose rates below about 100 krad/hr. The second mechanism, responsible for continuing the dose-rate effects at lower dose rates, appears to involve copper-catalyzed oxidation. This mechanism is often found to be significant in thermal aging studies; evidence that it may also be significant under room-temperature, radiation-aging conditions came from the density profile results, which revealed large increases in density as the inside of the insulation (near the tinned-copper conductor) was approached. For the same total radiation dose, this increase became larger as the dose rate was lowered. Preliminary chemical analysis profiling techniques indicate significantly enhanced copper and tin concentrations as the inside of the insulation is approached, even for insulation stripped from the metallic conductor before aging. This implies that

  10. Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation Functionals.

    Science.gov (United States)

    Furness, James W; Verbeke, Joachim; Tellgren, Erik I; Stopkowicz, Stella; Ekström, Ulf; Helgaker, Trygve; Teale, Andrew M

    2015-09-08

    We present the self-consistent implementation of current-dependent (hybrid) meta-generalized gradient approximation (mGGA) density functionals using London atomic orbitals. A previously proposed generalized kinetic energy density is utilized to implement mGGAs in the framework of Kohn-Sham current density functional theory (KS-CDFT). A unique feature of the nonperturbative implementation of these functionals is the ability to seamlessly explore a wide range of magnetic fields up to 1 au (∼235 kT) in strength. CDFT functionals based on the TPSS and B98 forms are investigated, and their performance is assessed by comparison with accurate coupled-cluster singles, doubles, and perturbative triples (CCSD(T)) data. In the weak field regime, magnetic properties such as magnetizabilities and nuclear magnetic resonance shielding constants show modest but systematic improvements over generalized gradient approximations (GGA). However, in the strong field regime, the mGGA-based forms lead to a significantly improved description of the recently proposed perpendicular paramagnetic bonding mechanism, comparing well with CCSD(T) data. In contrast to functionals based on the vorticity, these forms are found to be numerically stable, and their accuracy at high field suggests that the extension of mGGAs to CDFT via the generalized kinetic energy density should provide a useful starting point for further development of CDFT approximations.

  11. Reduce multipartite qubit density matrixes through to bipartite qubit density matrixes and criteria of partial separability of multipartite qubit density matrixes

    CERN Document Server

    Zhong, Z Z

    2004-01-01

    In this paper, we first discuss how to more strictly define the concept of the partial separability of the multipartite qubit density matrixes, further we give a way of reduction from an arbitrary multipartite qubit density matrix through to a bipartite qubit density matrix in one step. We prove that a necessary condition of a N-partite qubit density matrix to be partially separable with respect to a separation is that the corresponding reduced density matrix satisfies the PPT condition. Some examples are given.

  12. Chemical interferences when using high gradient magnetic separation for phosphate removal: consequences for lake restoration.

    Science.gov (United States)

    de Vicente, I; Merino-Martos, A; Guerrero, F; Amores, V; de Vicente, J

    2011-09-15

    A promising method for lake restoration is the treatment of lake inlets through the specific adsorption of phosphate (P) on strongly magnetizable particles (Fe) and their subsequent removal using in-flow high gradient magnetic separation (HGMS) techniques. In this work, we report an extensive investigation on the chemical interferences affecting P removal efficiencies in natural waters from 20 Mediterranean ponds and reservoirs. A set of three treatments were considered based on different Fe particles/P concentration ratios. High P removal efficiencies (>80%) were found in freshwater lakes (conductivities<600 μ S cm(-1)). However, a significant reduction in P removal was observed for extremely high mineralized waters. Correlation analysis showed that major cations (Mg(2+), Na(+) and K(+)) and anions (SO(4)(2-) and Cl(-)) played an essential role in P removal efficiency. Comparison between different treatments have shown that when increasing P and Fe concentrations at the same rate or when increasing Fe concentrations for a fixed P concentration, there exist systematic reductions in the slope of the regression lines relating P removal efficiency and the concentration of different chemical variables. These results evidence a general reduction in the chemical competition between P and other ions for adsorption sites on Fe particles. Additional analyses also revealed a reduction in water color, dissolved organic carbon (DOC) and reactive silicate (Si) concentrations with the addition of Fe microparticles.

  13. Recovery of Manganese Ore Tailings by High-Gradient Magnetic Separation and Hydrometallurgical Method

    Science.gov (United States)

    Zhang, Xiufeng; Tan, Xiumin; Yi, Yuejun; Liu, Weizao; Li, Chun

    2017-08-01

    With the depletion of high-grade manganese ores, Mn ore tailings are considered valuable secondary resources. In this study, a process combining high-gradient magnetic separation (HGMS) with hydrometallurgical methods is proposed to recycle fine-grained Mn tailings. The Mn tailings were treated by HGMS at 12,500 G to obtain a Mn concentrate of 30% Mn with the recovery efficiency of 64%. The Mn concentrate could be used in the ferromanganese industry. To recover Mn further, the nonmagnetic fraction was leached by SO2 in an H2SO4 solution. Hydrogen peroxide was added to the leachate to oxidize Fe2+ to Fe3+, and the solution pH was adjusted to 5.0-5.5 with ammonia to remove Al, Fe, and Si impurities. The purified solution was reacted with NH4HCO3, and a saleable product of MnCO3 with 97.9% purity was obtained. The combined process can be applied to Mn recovery from finely dispersed weakly magnetic Mn ores or tailings.

  14. Performance analysis of a microfluidic mixer based on high gradient magnetic separation principles

    Science.gov (United States)

    Liu, Mengyu; Han, Xiaotao; Cao, Quanliang; Li, Liang

    2017-09-01

    To achieve a rapid mixing between a water-based ferrofluid and DI water in a microfluidic environment, a magnetically actuated mixing system based on high gradient magnetic separation principles is proposed in this work. The microfluidic system consists of a T-shaped mirochannel and an array of integrated soft-magnetic elements at the sidewall of the channel. With the aid of an external magnetic bias field, these elements are magnetized to produce a magnetic volume force acting on the fluids containing magnetic nanoparticles, and then to induce additional flows for improving the mixing performance. The mixing process is numerically investigated through analyzing the concentration distribution of magnetic nanoparticles using a coupled particle-fluid transport model, and mixing performances under different parametrical conditions are investigated in detail. Numerical results show that a high mixing efficiency around 97.5% can be achieved within 2 s under an inlet flow rate of 1 mm s-1 and a relatively low magnetic bias field of 50 mT. Meanwhile, it has been found that there is an optimum number of magnetic elements used for obtaining the best mixing performance. These results show the potential of the proposed mixing method in lab-on-a-chip system and could be helpful in designing and optimizing system performance.

  15. Removal of phosphate from municipal sewage by high gradient magnetic separation

    Institute of Scientific and Technical Information of China (English)

    黄自力; 胡岳华; 徐竞; 郑春华

    2004-01-01

    The removal of phosphate from municipal sewage by high gradient magnetic separation using aluminium sulphate as precipitating agent and Fe3O4 as seeding material was studied. The effects of aluminium sulphate,Fe3O4, magnetic field intensity, pH value and flow-rate of sewage on phosphorus removal rate were investigated.200 kA/m, pH value of 4.5 - 7.0 and flow-rate of 6.15 cm/s are both efficient and economic technical parameters for removal of phosphate. The pH value has a tremendous effect on the removal of phosphate. In the pH range of 4.5- 7.0, more than 95% phosphate can be removed. Theoretical analysis indicates that the solubility of AlPO4 is minimum at pH 4.0 - 7.0 and the electrostatic attractive force between AlPO4 and Fe3O4 is maximum at pH 4.5 -6.5.

  16. Application of density gradient for the isolation of the fecal microbial stool component and the potential use thereof.

    Science.gov (United States)

    Hevia, Arancha; Delgado, Susana; Margolles, Abelardo; Sánchez, Borja

    2015-11-19

    The idea of considering the gut microbiota as a virtual human organ has led to the concept of fecal microbiota transplantation (FMT), which has recently been extremely successful in the treatment of cases of recurrent Clostridium difficile infection. Administration of safe, viable, and representative fecal microbiota is crucial for FMT. To our knowledge, suitable techniques and systematic conditions for separating the fecal microbiota from stool samples have not been thoroughly investigated. In this work we show the potential to separate stool microorganisms from the rest of fecal material using a procedure with a Nycodenz® density gradient, yielding 10(10) viable bacteria per two grams of feces. This procedure did not affect the original microbiota composition in terms of viability, distribution and proportions, as assessed by a phylogenetic metagenomic approach. Obtaining the fecal microbiota by concentration and separation of the microorganisms from the rest of the stool components would allow the standardization of its recovery and its long-term preservation. FMT or similar microbiota restoration therapies could be used for the treatment of several disorders, or even for aesthetic purposes, so the method described in our work may contribute to the setting of the basis for the development of safe and standardized products.

  17. Noninvasive prenatal diagnosis. Use of density gradient centrifugation, magnetically activated cell sorting and in situ hybridization

    DEFF Research Database (Denmark)

    Campagnoli, C; Multhaupt, H A; Ludomirski, A;

    1997-01-01

    cells recovered did not differ. Seven of seven male pregnancies were correctly identified. One case of trisomy 21 was detected. CONCLUSION: The in situ hybridization analysis of fetal nucleated erythrocytes isolated from maternal blood using single density gradient centrifugation, anti-CD71/anti...... of the isolated cells were subjected to in situ hybridization with specific DNA probes for the Y chromosome and chromosome 21 to confirm the fetal origin. RESULTS: After MiniMACS the enrichment factors for the CD71/GPA- and CD36/GPA-positive cells from maternal blood were similar, and the percentages of fetal...

  18. Density functional theory optimized basis sets for gradient corrected functionals: 3d transition metal systems.

    Science.gov (United States)

    Calaminici, Patrizia; Janetzko, Florian; Köster, Andreas M; Mejia-Olvera, Roberto; Zuniga-Gutierrez, Bernardo

    2007-01-28

    Density functional theory optimized basis sets for gradient corrected functionals for 3d transition metal atoms are presented. Double zeta valence polarization and triple zeta valence polarization basis sets are optimized with the PW86 functional. The performance of the newly optimized basis sets is tested in atomic and molecular calculations. Excitation energies of 3d transition metal atoms, as well as electronic configurations, structural parameters, dissociation energies, and harmonic vibrational frequencies of a large number of molecules containing 3d transition metal elements, are presented. The obtained results are compared with available experimental data as well as with other theoretical data from the literature.

  19. A novel technique for real-time estimation of edge pedestal density gradients via reflectometer time delay data

    Science.gov (United States)

    Zeng, L.; Doyle, E. J.; Rhodes, T. L.; Wang, G.; Sung, C.; Peebles, W. A.; Bobrek, M.

    2016-11-01

    A new model-based technique for fast estimation of the pedestal electron density gradient has been developed. The technique uses ordinary mode polarization profile reflectometer time delay data and does not require direct profile inversion. Because of its simple data processing, the technique can be readily implemented via a Field-Programmable Gate Array, so as to provide a real-time density gradient estimate, suitable for use in plasma control systems such as envisioned for ITER, and possibly for DIII-D and Experimental Advanced Superconducting Tokamak. The method is based on a simple edge plasma model with a linear pedestal density gradient and low scrape-off-layer density. By measuring reflectometer time delays for three adjacent frequencies, the pedestal density gradient can be estimated analytically via the new approach. Using existing DIII-D profile reflectometer data, the estimated density gradients obtained from the new technique are found to be in good agreement with the actual density gradients for a number of dynamic DIII-D plasma conditions.

  20. The formulation and implementation of analytic energy gradients for periodic density functional calculations with STO/NAO Bloch basis set

    NARCIS (Netherlands)

    Kadantsev, Eugene S.; Klooster, Rob; De Boeij, Paul L.; Ziegler, Tom

    2007-01-01

    Analytic energy gradients with respect to atomic coordinates for systems with translational invariance are formulated within the framework of Kohn-Sham Density Functional Theory. The energy gradients are implemented in the BAND program for periodic DFT calculations which directly employs a Bloch bas

  1. Minimax current density gradient coils: analysis of coil performance and heating.

    Science.gov (United States)

    Poole, Michael S; While, Peter T; Lopez, Hector Sanchez; Crozier, Stuart

    2012-08-01

    Standard gradient coils are designed by minimizing the inductance or resistance for an acceptable level of gradient field nonlinearity. Recently, a new method was proposed to minimize the maximum value of the current density in a coil additionally. The stated aim of that method was to increase the minimum wire spacing and to reduce the peak temperature in a coil for fixed efficiency. These claims are tested in this study with experimental measurements of magnetic field and temperature as well as simulations of the performance of many coils. Experimental results show a 90% increase in minimum wire spacing and 40% reduction in peak temperature for equal coil efficiency and field linearity. Simulations of many more coils indicate increase in minimum wire spacing of between 50 and 340% for the coils studied here. This method is shown to be able to increase coil efficiency when constrained by minimum wire spacing rather than switching times or total power dissipation. This increase in efficiency could be used to increase gradient strength, duty cycle, or buildability.

  2. A density-adaptive SPH method with kernel gradient correction for modeling explosive welding

    Science.gov (United States)

    Liu, M. B.; Zhang, Z. L.; Feng, D. L.

    2017-05-01

    Explosive welding involves processes like the detonation of explosive, impact of metal structures and strong fluid-structure interaction, while the whole process of explosive welding has not been well modeled before. In this paper, a novel smoothed particle hydrodynamics (SPH) model is developed to simulate explosive welding. In the SPH model, a kernel gradient correction algorithm is used to achieve better computational accuracy. A density adapting technique which can effectively treat large density ratio is also proposed. The developed SPH model is firstly validated by simulating a benchmark problem of one-dimensional TNT detonation and an impact welding problem. The SPH model is then successfully applied to simulate the whole process of explosive welding. It is demonstrated that the presented SPH method can capture typical physics in explosive welding including explosion wave, welding surface morphology, jet flow and acceleration of the flyer plate. The welding angle obtained from the SPH simulation agrees well with that from a kinematic analysis.

  3. Affinity-mediated sorting order reversal of single-walled carbon nanotubes in density gradient ultracentrifugation

    Science.gov (United States)

    Jang, Myungsu; Kim, Somin; Jeong, Haneul; Ju, Sang-Yong

    2016-10-01

    Sorted single-walled carbon nanotubes (SWNTs) are of paramount importance for their utilization in high-end optoelectronic applications. Sodium cholate (SC)-based density gradient ultracentrifugation (DGU) has been instrumental in isolating small diameter (d t) SWNTs. Here, we show that SWNTs wrapped by flavin mononucleotide (FMN) as a dispersing agent are sorted in DGU, and show sorting order reversal behavior, departing from prototypical SC-SWNT trends. Larger d t SWNTs are sorted in lower density (ρ), and buoyant ρ distribution of FMN-SWNT ranges from 1.15-1.25 g cm-3. Such a nanotube layering pattern originates from both the binding affinity between FMN and SWNT and the less-susceptible hydrated volume of remote phosphate sidechains of FMN according to nanotube d t change.

  4. Using contemporary liquid chromatography theory and technology to improve capillary gradient ion-exchange separations.

    Science.gov (United States)

    Wouters, Bert; Broeckhoven, Ken; Wouters, Sam; Bruggink, Cees; Agroskin, Yury; Pohl, Christopher A; Eeltink, Sebastiaan

    2014-11-28

    The gradient-performance limits of capillary ion chromatography have been assessed at maximum system pressure (34.5 MPa) using capillary columns packed with 4.1 μm macroporous anion-exchange particles coated with 65 nm positively-charged nanobeads. In analogy to the van-Deemter curve, the gradient performance was assessed applying different flow rates, while decreasing the gradient time inversely proportional to the increase in flow rate in order to maintain the same retention properties. The gradient kinetic-performance limits were determined at maximum system pressure, applying tG/t0=5, 10, and 20. In addition, the effect of retention on peak width was assessed in gradient mode for mono-, di-, and trivalent inorganic anions. The peak width of late-eluting ions can be significantly reduced by using concave gradient, resulting in better detection sensitivity. A signal enhancement factor of 8 was measured for a late-eluting ion when applying a concave instead of a linear gradient. For the analysis of a complex anion mixture, a coupled column with a total length of 1.05 m was operated at the kinetic-performance limit applying a linear 250 min gradient (tG/t0=10). The peak capacity varied between 200 and 380 depending on analyte retention, and hence on charge and size of the ion.

  5. Vole preference of bilberry along gradients of simulated moose density and site productivity.

    Science.gov (United States)

    Pedersen, Simen; Andreassen, Harry P; Persson, Inga-Lill; Julkunen-Tiitto, Riitta; Danell, Kjell; Skarpe, Christina

    2011-12-01

    Browsing by large herbivores might either increase or decrease preference for the plant by other herbivores, depending on the plant response. Using a cafeteria test, we studied the preference by root voles (Microtus oeconomus [Pallas, 1776]) for bilberry (Vaccinium myrtillus L.) previously subjected to 4 levels of simulated moose (Alces alces [Linnaeus, 1758]) density. The different levels of moose density were simulated at population densities relevant for Fennoscandian conditions, in exclosures situated along a site productivity gradient. We expected: (i) voles to prefer bilberry from high productivity sites over low productivity sites; (ii) voles to prefer browsed bilberry, if plants allocate resources to compensatory growth or to avoid browsed bilberry if plants allocate resources to defense; (iii) these effects to increase with increasing simulated moose density; and (iv) the concentration of plant chemicals and the plant morphology to explain vole preference. Specifically, we predicted that voles would prefer: (i) plants with high nitrogen content; (ii) plants with low content of defensive substances; and (iii) tall plants with long shoots. Voles preferred bilberry from the high productivity sites compared to the low productivity sites. We also found an interaction between site productivity and simulated moose density, where voles preferred unbrowsed plants at low productivity sites and intermediate levels of browsing at high productivity sites. There was no effect of plant chemistry or morphology on vole preference. We conclude that moose browsing impacts the food preference of voles. With the current high densities of moose in Fennoscandia, this could potentially influence vole food selection and population dynamics over large geographical areas.

  6. Sea surface density gradients in the Nordic Seas during the Holocene as revealed by paired microfossil and isotope proxies

    DEFF Research Database (Denmark)

    Van Nieuwenhove, Nicolas; Hillaire-Marcel, Claude; Bauch, Henning A.

    2016-01-01

    We attempt to assess the Holocene surface-subsurface seawater density gradient on millennial time-scale based on the reconstruction of potential density (σθ) by combining data from dinoflagellate cyst assemblages and planktic foraminiferal (Neogloboquadrina pachyderma (s)) stable oxygen isotopes (δ...

  7. Controls on stand transpiration and soil water utilization along a tree density gradient in a Neotropical savanna

    Science.gov (United States)

    Sandra J. Bucci; Fabian G. Scholz; Guillermo Goldstein; William A. Hoffmann; Frederick C. Meinzer; Augusto C. Franco; Thomas Giambelluca; Fernando Miralles-Wilhelm

    2008-01-01

    Environmental controls of stand-level tree transpiration (E) and seasonal patterns of soil water utilization were studied in five central Brazilian savanna (Cerrado) sites differing in tree density. Tree density of Cerrado vegetation in the study area consistently changes along topographic gradients from ~1,000 trees ha-1 in open savannas (campo...

  8. Emergence flux declines disproportionately to larval density along a stream metals gradient.

    Science.gov (United States)

    Schmidt, Travis S; Kraus, Johanna M; Walters, David M; Wanty, Richard B

    2013-08-01

    Effects of contaminants on adult aquatic insect emergence are less well understood than effects on insect larvae. We compared responses of larval density and adult emergence along a metal contamination gradient. Nonlinear threshold responses were generally observed for larvae and emergers. Larval densities decreased significantly at low metal concentrations but precipitously at concentrations of metal mixtures above aquatic life criteria (cumulative criterion accumulation ratio (CCAR) ≥ 1). In contrast, adult emergence declined precipitously at low metal concentrations (CCAR ≤ 1), followed by a modest decline above this threshold. Adult emergence was a more sensitive indicator of the effect of low metals concentrations on aquatic insect communities compared to larvae, presumably because emergence is limited by a combination of larval survival and other factors limiting successful emergence. Thus effects of exposure to larvae are not manifest until later in life (during metamorphosis and emergence). This loss in emergence reduces prey subsidies to riparian communities at concentrations considered safe for aquatic life. Our results also challenge the widely held assumption that adult emergence is a constant proportion of larval densities in all streams.

  9. Current Density-Functional Theory using meta-Generalized Gradient Exchange--Correlation Functionals

    CERN Document Server

    Furness, James W; Tellgren, Erik I; Stopkowicz, Stella; Ekström, Ulf; Helgaker, Trygve; Teale, Andrew M

    2015-01-01

    We present the self-consistent implementation of current-dependent (hybrid) meta generalized gradient approximation (mGGA) density functionals using London atomic orbitals. A previously proposed generalized kinetic energy density is utilized to implement mGGAs in the framework of Kohn--Sham current density-functional theory (KS-CDFT). A unique feature of the non-perturbative implementation of these functionals is the ability to seamlessly explore a wide range of magnetic fields up to 1 a.u. ($\\sim 235000$T) in strength. CDFT functionals based on the TPSS and B98 forms are investigated and their performance is assessed by comparison with accurate CCSD(T) data. In the weak field regime magnetic properties such as magnetizabilities and NMR shielding constants show modest but systematic improvements over GGA functionals. However, in strong field regime the mGGA based forms lead to a significantly improved description of the recently proposed perpendicular paramagnetic bonding mechanism, comparing well with CCSD(T...

  10. Strain energy density gradients in bone marrow predict osteoblast and osteoclast activity: a finite element study.

    Science.gov (United States)

    Webster, Duncan; Schulte, Friederike A; Lambers, Floor M; Kuhn, Gisela; Müller, Ralph

    2015-03-18

    Huiskes et al. hypothesized that mechanical strains sensed by osteocytes residing in trabecular bone dictate the magnitude of load-induced bone formation. More recently, the mechanical environment in bone marrow has also been implicated in bone׳s response to mechanical stimulation. In this study, we hypothesize that trabecular load-induced bone formation can be predicted by mechanical signals derived from an integrative µFE model, incorporating a description of both the bone and marrow phase. Using the mouse tail loading model in combination with in vivo micro-computed tomography (µCT) we tracked load induced changes in the sixth caudal vertebrae of C57BL/6 mice to quantify the amount of newly mineralized and eroded bone volumes. To identify the mechanical signals responsible for adaptation, local morphometric changes were compared to micro-finite element (µFE) models of vertebrae prior to loading. The mechanical parameters calculated were strain energy density (SED) on trabeculae at bone forming and resorbing surfaces, SED in the marrow at the boundary between bone forming and resorbing surfaces, along with SED in the trabecular bone and marrow volumes. The gradients of each parameter were also calculated. Simple regression analysis showed mean SED gradients in the trabecular bone matrix to significantly correlate with newly mineralized and eroded bone volumes R(2)=0.57 and 0.41, respectively, pbone marrow plays a significant role in determining osteoblast and osteoclast activity.

  11. DIAGNOSTIC VALUE OF DENSITY GRADIENT CENTRIFUGATION FOR EXFOLIATIVE TUMOR CELLS IN MALIGNANT PLEURAL EFFUSIONS

    Institute of Scientific and Technical Information of China (English)

    郭胤仕; 朱任之

    2004-01-01

    Objective To find out a specific method for diagnosis of malignant pleural effusions( MPEs )with higher sensitivity and practicality. Methods The diagnosis of MPEs were made using density gradient centrifugation ( DGC ) , smear cytologic examination (SCE) and pleural needle biopsy (PNB). Comparisons between these results and those of benign pleural effusions were also made. Results The positive rates of DGC,SCE and PNB for diagnosing MPEs were 94. 3% ,62.9% and 44.6% , respectively, and the positive rate of SCE combined with PNB for diagnosing MPEs was 73.2 %. The positive rate of the exfoliative tumor cells ( ETCs ) by DGC was much higher than that of SCE or/and PNB with no false-positive. Conclusion The ETCs isolated by DGC from the MPEs is quite specific for the diagnosis of malignant tumors with higher sensitivity and practicality in clinico-pathological practice.

  12. Sexagem de espermatozoides bovinos por centrifugação em gradiente descontínuo de densidade de Percoll Sex selection in bovine spermatozoa by using Percoll discontinuos density gradient centrifugation

    Directory of Open Access Journals (Sweden)

    Vera Fernanda Martins Hossepian de Lima

    2011-08-01

    Full Text Available O objetivo neste trabalho foi desenvolver um método de seleção do sexo de espermatozoides bovinos por centrifugação em gradiente de densidade de Percoll. Utilizou-se sêmen congelado de touros mantidos em regime de colheita de sêmen. A fração de espermatozoides X ou Y foi separada por centrifugação em treze diferentes gradientes de densidade de Percoll formados por 1 a 12 camadas com densidades que variaram de 1,004 g/mL a 1,123 g/mL. As soluções com diferentes densidades foram preparadas misturando-se, em proporções diferentes, meio de cultura Hank's e uma solução estoque composta de NaCl 1,5 M e Percoll (1:9, v/v. Sobre cada gradiente foi colocado um total de 50 × 10(6 espermatozoides descongelados em 0,7 mL de meio Hank's e centrifugados a 250 X g por 30 minutos, em rotor horizontal, a 25°C. Os espermatozoides das frações superior e inferior foram tratados com Quinacrina Mustarda e analisados (200 deles quanto à presença do corpúsculo-F. Dos espermatozoides encontrados no sedimento de dois gradientes, compostos de 8 e 12 frações com densidades variando entre 1,050 a 1,120 g/mL e 1,044 a 1,123 g/mL, respectivamente, visualizaram-se 25% com corpúsculo-F e os 75% restantes prováveis portadores do cromossomo X. O aumento na porcentagem de espermatozoides X após a centrifugação em gradiente de densidade permitirá que esse método de sexagem seja usado em larga escala na produção comercial de carne e leite bem como no teste de progênie.The objective of this work was to develop a bovine spermatozoid sex selection method by using Percoll density gradient centrifugation. It was used frozen semen of bulls kept in semen collection regime. Fraction X or Y was separated by centrifugation in three different Percoll density gradient formed by 1 to 12 layers with densities varying from 1.004 g/mL to 1.123 g/mL. Solutions with different densities were prepared by mixing, at different proportions, Hank's culture medium and a

  13. Quantitative separation of the anisotropic magnetothermopower and planar Nernst effect by the rotation of an in-plane thermal gradient.

    Science.gov (United States)

    Reimer, Oliver; Meier, Daniel; Bovender, Michel; Helmich, Lars; Dreessen, Jan-Oliver; Krieft, Jan; Shestakov, Anatoly S; Back, Christian H; Schmalhorst, Jan-Michael; Hütten, Andreas; Reiss, Günter; Kuschel, Timo

    2017-01-17

    A thermal gradient as the driving force for spin currents plays a key role in spin caloritronics. In this field the spin Seebeck effect (SSE) is of major interest and was investigated in terms of in-plane thermal gradients inducing perpendicular spin currents (transverse SSE) and out-of-plane thermal gradients generating parallel spin currents (longitudinal SSE). Up to now all spincaloric experiments employ a spatially fixed thermal gradient. Thus, anisotropic measurements with respect to well defined crystallographic directions were not possible. Here we introduce a new experiment that allows not only the in-plane rotation of the external magnetic field, but also the rotation of an in-plane thermal gradient controlled by optical temperature detection. As a consequence, the anisotropic magnetothermopower and the planar Nernst effect in a permalloy thin film can be measured simultaneously. Thus, the angular dependence of the magnetothermopower with respect to the magnetization direction reveals a phase shift, that allows the quantitative separation of the thermopower, the anisotropic magnetothermopower and the planar Nernst effect.

  14. Self-injection by trapping of plasma electrons oscillating in rising density gradient at the vacuum-plasma interface

    CERN Document Server

    Sahai, Aakash A; Muggli, Patric

    2014-01-01

    We model the trapping of plasma $e^-$ within the density structures excited by a propagating energy source ($\\beta_{S}\\simeq1$) in a rising plasma density gradient. Rising density gradient leads to spatially contiguous coupled up-chirped plasmons ($d{\\omega^2_{pe}(x)}/{dx}>0$). Therefore phase mixing between plasmons can lead to trapping until the plasmon field is high enough such that $e^-$ trajectories returning towards a longer wavelength see a trapping potential. Rising plasma density gradients are ubiquitous for confining the plasma within sources at the vacuum-plasma interfaces. Therefore trapping of plasma-$e^-$ in a rising ramp is important for acceleration diagnostics and to understand the energy dissipation from the excited plasmon train \\cite{LTE-2013}. Down-ramp in density \\cite{density-transition-2001} has been used for plasma-$e^-$ trapping within the first bucket behind the driver. Here, in rising density gradient the trapping does not occur in the first plasmon bucket but in subsequent plasmon...

  15. Comparative assessment of density functional methods for evaluating essential parameters to simulate SERS spectra within the excited state energy gradient approximation

    Science.gov (United States)

    Mohammadpour, Mozhdeh; Jamshidi, Zahra

    2016-05-01

    The prospect of challenges in reproducing and interpretation of resonance Raman properties of molecules interacting with metal clusters has prompted the present research initiative. Resonance Raman spectra based on the time-dependent gradient approximation are examined in the framework of density functional theory using different methods for representing the exchange-correlation functional. In this work the performance of different XC functionals in the prediction of ground state properties, excitation state energies, and gradients are compared and discussed. Resonance Raman properties based on time-dependent gradient approximation for the strongly low-lying charge transfer states are calculated and compared for different methods. We draw the following conclusions: (1) for calculating the binding energy and ground state geometry, dispersion-corrected functionals give the best performance in comparison to ab initio calculations, (2) GGA and meta GGA functionals give good accuracy in calculating vibrational frequencies, (3) excited state energies determined by hybrid and range-separated hybrid functionals are in good agreement with EOM-CCSD calculations, and (4) in calculating resonance Raman properties GGA functionals give good and reasonable performance in comparison to the experiment; however, calculating the excited state gradient by using the hybrid functional on the hessian of GGA improves the results of the hybrid functional significantly. Finally, we conclude that the agreement of charge-transfer surface enhanced resonance Raman spectra with experiment is improved significantly by using the excited state gradient approximation.

  16. Response surface methodology to optimize gradient ion chromatographic separation of inorganic anions and organic acids in tobacco leaves

    Institute of Scientific and Technical Information of China (English)

    Rui Qi Wang; Na Ni Wang; Jia Jie Zhang; Yan Zhu

    2011-01-01

    The separation optimization of nine organic and inorganic anions in tobacco leaves using gradient ion chromatography by response surface methodology was investigated. In order to achieve this goal the usefulness of the chromatographic response function (CRF) for the evaluation of the two different chromatographic performance goals (resolution and analysis time) was tested. The experiments were performed according to a Box-Behnken design response surface experimental design.

  17. Gradient HPLC separation of dehydroepiandrosterone (DHEA) from its metabolites and biological congeners: role of tetrahydrofuran in the chromatographic mechanism.

    Science.gov (United States)

    Gergely, András; Horváth, Péter; Szász, György; Veress, Gábor

    2009-08-01

    A three-step gradient reversed-phase high-performance liquid chromatography (RP-HPLC) method was developed for the separation of dehydroepiandrosterone (DHEA), its sulfate ester (DHEA-S), its three C7-oxidized metabolites (7alphaOH-DHEA, 7betaOH-DHEA, 7-keto-DHEA), and its biosynthetic congeners (androstenedione, testosterone, estradiol, pregnenolone). This new method allows the quantitative characterization of DHEA metabolism and biosynthetic transformation under given physiological, pathological, or therapeutically influenced circumstances. Tetrahydrofuran probably acts as a proton acceptor coadsorbent, while isopropanol behaves as a proton donor during the separation of testosterone, estradiol, and the stereoisomers of 7-OH-DHEA.

  18. Optimisation of the separation of herbicides by linear gradient high performance liquid chromatography utilising artificial neural networks.

    Science.gov (United States)

    Tran, Anh T K; Hyne, Ross V; Pablo, Fleur; Day, W Roy; Doble, P

    2007-02-28

    An artificial neural network (ANN) was employed to model the chromatographic response surface for the linear gradient separation of 10 herbicides that are commonly detected in storm run-off water in agricultural catchments. The herbicides (dicamba, simazine, 2,4-D, MCPA, triclopyr, atrazine, diuron, clomazone, bensulfuron-methyl and metolachlor) were separated using reverse phase high performance liquid chromatography and detected with a photodiode array detector. The ANN was trained using the pH of the mobile phase and the slope of the acetonitrile/water gradient as input variables. A total of nine experiments were required to generate sufficient data to train the ANN to accurately describe the retention times of each of the herbicides within a defined experimental space of mobile phase pH range 3.0-4.8 and linear gradient slope 1-4% acetonitrile/min. The modelled chromatographic response surface was then used to determine the optimum separation within the experimental space. This approach allowed the rapid determination of experimental conditions for baseline resolution of all 10 herbicides. Illustrative examples of determination of these components in Milli-Q water, Sydney mains water and natural water samples spiked at 0.5-1mug/L are shown. Recoveries were over 70% for solid-phase extraction using Waters Oasis((R)) HLB 6cm(3) cartridges.

  19. Phase-mixing self-injection into plasma-wakefield acceleration structures driven in a rising density gradient

    Science.gov (United States)

    Sahai, Aakash Ajit

    We model the phase-mixing self-injection of electrons into plasma-wakefield acceleration structures driven in a longitudinally rising density gradient. Self-injection is the process where some of the plasma electrons lose coherence with the wave due to non-linearities. The non-linearity is inherently and intentionally induced in the plasma oscillations due to the variation of the restoring force along the rising density gradient. These electrons then get trapped in and propagate with the accelerating phase of the plasma-wave. The electron oscillations driven by matched energy-sources are shown to get trapped in the wakefields similar in scaling to the phase-mixing of free oscillations. The onset of trapping is shown to scale with the gradient of rising density and the amplitude of oscillations. The planar longitudinal electron oscillations undergo trajectory crossing above a threshold amplitude or in a density inhomogeneity leading to phase-mixing and trapping of the oscillating electrons to a phase of the wave. In this thesis, we analyze the scaling of the phase-mixing based trapping of electron oscillations, independent of a threshold, in planar geometry driven by an electron beam in a rising density gradient. The cylindrical and spherical geometry electron oscillations undergo phase-mixing irrespective of the amplitude of oscillations. Here, driven radial electron oscillations in cylindrical geometry are shown to undergo phase-mixing leading to trapping of the plasma electrons in a longitudinally rising density gradient. We also present preliminary scaling results of phase-mixing based trapping of radially oscillating electrons in a rising density gradient.

  20. Role of Density Gradient Driven Trapped Electron Modes in the H-Mode Inner Core with Electron Heating

    Science.gov (United States)

    Ernst, D.

    2015-11-01

    We present new experiments and nonlinear gyrokinetic simulations showing that density gradient driven TEM (DGTEM) turbulence dominates the inner core of H-Mode plasmas during strong electron heating. Thus α-heating may degrade inner core confinement in H-Mode plasmas with moderate density peaking. These DIII-D low torque quiescent H-mode experiments were designed to study DGTEM turbulence. Gyrokinetic simulations using GYRO (and GENE) closely match not only particle, energy, and momentum fluxes, but also density fluctuation spectra, with and without ECH. Adding 3.4 MW ECH doubles Te /Ti from 0.5 to 1.0, which halves the linear TEM critical density gradient, locally flattening the density profile. Density fluctuations from Doppler backscattering (DBS) intensify near ρ = 0.3 during ECH, displaying a band of coherent fluctuations with adjacent toroidal mode numbers. GYRO closely reproduces the DBS spectrum and its change in shape and intensity with ECH, identifying these as coherent TEMs. Prior to ECH, parallel flow shear lowers the effective nonlinear DGTEM critical density gradient 50%, but is negligible during ECH, when transport displays extreme stiffness in the density gradient. GS2 predictions show the DGTEM can be suppressed, to avoid degradation with electron heating, by broadening the current density profile to attain q0 >qmin > 1 . A related experiment in the same regime varied the electron temperature gradient in the outer half-radius (ρ ~ 0 . 65) using ECH, revealing spatially coherent 2D mode structures in the Te fluctuations measured by ECE imaging. Fourier analysis with modulated ECH finds a threshold in Te profile stiffness. Supported by the US DOE under DE-FC02-08ER54966 and DE-FC02-04ER54698.

  1. Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation

    Directory of Open Access Journals (Sweden)

    Haowei Peng

    2016-10-01

    Full Text Available A “best-of-both-worlds” van der Waals (vdW density functional is constructed, seamlessly supplementing the strongly constrained and appropriately normed (SCAN meta-generalized gradient approximation for short- and intermediate-range interactions with the long-range vdW interaction from rVV10, the revised Vydrov–van Voorhis nonlocal correlation functional. The resultant SCAN+rVV10 is the only vdW density functional to date that yields excellent interlayer binding energies and spacings, as well as intralayer lattice constants in 28 layered materials. Its versatility for various kinds of bonding is further demonstrated by its good performance for 22 interactions between molecules; the cohesive energies and lattice constants of 50 solids; the adsorption energy and distance of a benzene molecule on coinage-metal surfaces; the binding energy curves for graphene on Cu(111, Ni(111, and Co(0001 surfaces; and the rare-gas solids. We argue that a good semilocal approximation should (as SCAN does capture the intermediate-range vdW through its exchange term. We have found an effective range of the vdW interaction between 8 and 16 Å for systems considered here, suggesting that this interaction is negligibly small at the larger distances where it reaches its asymptotic power-law decay.

  2. Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation

    Science.gov (United States)

    Peng, Haowei; Yang, Zeng-Hui; Perdew, John P.; Sun, Jianwei

    2016-10-01

    A "best-of-both-worlds" van der Waals (vdW) density functional is constructed, seamlessly supplementing the strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation for short- and intermediate-range interactions with the long-range vdW interaction from r VV 10 , the revised Vydrov-van Voorhis nonlocal correlation functional. The resultant SCAN +r VV 10 is the only vdW density functional to date that yields excellent interlayer binding energies and spacings, as well as intralayer lattice constants in 28 layered materials. Its versatility for various kinds of bonding is further demonstrated by its good performance for 22 interactions between molecules; the cohesive energies and lattice constants of 50 solids; the adsorption energy and distance of a benzene molecule on coinage-metal surfaces; the binding energy curves for graphene on Cu(111), Ni(111), and Co(0001) surfaces; and the rare-gas solids. We argue that a good semilocal approximation should (as SCAN does) capture the intermediate-range vdW through its exchange term. We have found an effective range of the vdW interaction between 8 and 16 Å for systems considered here, suggesting that this interaction is negligibly small at the larger distances where it reaches its asymptotic power-law decay.

  3. The effect of electron beam pitch angle and density gradient on solar type III radio bursts

    CERN Document Server

    Pechhacker, Roman

    2012-01-01

    1.5D Particle-In-Cell simulations of a hot, low density electron beam injected into magnetized, maxwellian plasma were used to further explore the alternative non-gyrotropic beam driven electromagnetic emission mechanism, first studied in Tsiklauri (2011). Variation of beam injection angle and background density gradient showed that the emission process is caused by the perpendicular component of the beam injection current, whereas the parallel component only produces Langmuir waves, which play no role in the generation of EM waves in our mechanism. Particular emphasis was put on the case, where the beam is injected perpendicularly to the background magnetic field, as this turned off any electrostatic wave generation along the field and left a purely electromagnetic signal in the perpendicular components. The simulations establish the following key findings: i) Initially waves at a few w_ce/gamma are excited, mode converted and emitted at w_pe ii) The emission intensity along the beam axis is proportional to ...

  4. Analytic energy gradients for the coupled-cluster singles and doubles method with the density-fitting approximation.

    Science.gov (United States)

    Bozkaya, Uğur; Sherrill, C David

    2016-05-07

    An efficient implementation is presented for analytic gradients of the coupled-cluster singles and doubles (CCSD) method with the density-fitting approximation, denoted DF-CCSD. Frozen core terms are also included. When applied to a set of alkanes, the DF-CCSD analytic gradients are significantly accelerated compared to conventional CCSD for larger molecules. The efficiency of our DF-CCSD algorithm arises from the acceleration of several different terms, which are designated as the "gradient terms": computation of particle density matrices (PDMs), generalized Fock-matrix (GFM), solution of the Z-vector equation, formation of the relaxed PDMs and GFM, back-transformation of PDMs and GFM to the atomic orbital (AO) basis, and evaluation of gradients in the AO basis. For the largest member of the alkane set (C10H22), the computational times for the gradient terms (with the cc-pVTZ basis set) are 2582.6 (CCSD) and 310.7 (DF-CCSD) min, respectively, a speed up of more than 8-folds. For gradient related terms, the DF approach avoids the usage of four-index electron repulsion integrals. Based on our previous study [U. Bozkaya, J. Chem. Phys. 141, 124108 (2014)], our formalism completely avoids construction or storage of the 4-index two-particle density matrix (TPDM), using instead 2- and 3-index TPDMs. The DF approach introduces negligible errors for equilibrium bond lengths and harmonic vibrational frequencies.

  5. Range-separated density-functional theory with random phase approximation: detailed formalism and illustrative applications

    CERN Document Server

    Toulouse, Julien; Angyan, Janos G; Savin, Andreas

    2010-01-01

    Using Green-function many-body theory, we present the details of a formally exact adiabatic-connection fluctuation-dissipation density-functional theory based on range separation, which was sketched in Toulouse, Gerber, Jansen, Savin and Angyan, Phys. Rev. Lett. 102, 096404 (2009). Range-separated density-functional theory approaches combining short-range density functional approximations with long-range random phase approximations (RPA) are then obtained as well-identified approximations on the long-range Green-function self-energy. Range-separated RPA-type schemes with or without long-range Hartree-Fock exchange response kernel are assessed on rare-gas and alkaline-earth dimers, and compared to range-separated second-order perturbation theory and range-separated coupled-cluster theory.

  6. Energy minimization using Sobolev gradients application to phase separation and ordering

    CERN Document Server

    Sial, S; Lookman, T; Saxena, A

    2003-01-01

    A common problem in physics and engineering is the calculation of the minima of energy functionals. The theory of Sobolev gradients provides an efficient method for seeking the critical points of such a functional. We apply the method to functionals describing coarse-grained Ginzburg-Landau models commonly used in pattern formation and ordering processes.

  7. Higher dimensional bipartite composite systems with the same density matrix: separable, free entangled, or PPT entangled?

    Science.gov (United States)

    Cheng, Wei; Xu, Fang; Li, Hua; Wang, Gang

    2014-04-01

    Given the density matrix of a bipartite quantum state, could we decide whether it is separable, free entangled, or PPT entangled? Here, we give a negative answer to this question by providing a lot of concrete examples of density matrices, some of which are well known. We find that both separability and distillability are dependent on the decomposition of the density matrix. To be more specific, we show that if a given matrix is considered as the density operators of different composite systems, their entanglement properties might be different. In the case of density matrices, we can look them as both and bipartite quantum states and show that their entanglement properties (i.e., separable, free entangled, or PPT entangled) are completely irrelevant to each other.

  8. Some families of density matrices for which separability is easily tested

    CERN Document Server

    Braunstein, S L; Mansour, T; Severini, S; Wilson, R C; Braunstein, Samuel L.; Ghosh, Sibasish; Mansour, Toufik; Severini, Simone; Wilson, Richard C.

    2005-01-01

    We reconsider density matrices of graphs as defined in [quant-ph/0406165]. The density matrix of a graph is the combinatorial laplacian of the graph normalized to have unit trace. We describe a simple combinatorial condition (the "degree condition") to test separability of density matrices of graphs. The condition is directly related to the PPT-criterion. We prove that the degree condition is necessary for separability and we conjecture that it is also sufficient. We prove special cases of the conjecture involving nearest point graphs and perfect matchings. We observe that the degree condition appears to have value beyond density matrices of graphs. In fact, we point out that circulant density matrices and other matrices constructed from groups always satisfy the condition and indeed are separable with respect to any split. The paper isolates a number of problems and delineates further generalizations.

  9. Role of density gradient driven trapped electron mode turbulence in the H-mode inner core with electron heating

    Science.gov (United States)

    Ernst, D. R.; Burrell, K. H.; Guttenfelder, W.; Rhodes, T. L.; Dimits, A. M.; Bravenec, R.; Grierson, B. A.; Holland, C.; Lohr, J.; Marinoni, A.; McKee, G. R.; Petty, C. C.; Rost, J. C.; Schmitz, L.; Wang, G.; Zemedkun, S.; Zeng, L.

    2016-05-01

    A series of DIII-D [J. L. Luxon, Nucl. Fusion 42, 614 (2002)] low torque quiescent H-mode experiments show that density gradient driven trapped electron mode (DGTEM) turbulence dominates the inner core of H-mode plasmas during strong electron cyclotron heating (ECH). Adding 3.4 MW ECH doubles Te/Ti from 0.5 to 1.0, which halves the linear DGTEM critical density gradient, locally reducing density peaking, while transport in all channels displays extreme stiffness in the density gradient. This suggests that fusion α-heating may degrade inner core confinement in H-mode plasmas with moderate density peaking and low collisionality, with equal electron and ion temperatures, key conditions expected in burning plasmas. Gyrokinetic simulations using GYRO [J. Candy and R. E. Waltz, J. Comput. Phys. 186, 545 (2003)] (and GENE [Jenko et al., Phys. Plasmas 7, 1904 (2000)]) closely match not only particle, energy, and momentum fluxes but also density fluctuation spectra from Doppler backscattering (DBS), with and without ECH. Inner core DBS density fluctuations display discrete frequencies with adjacent toroidal mode numbers, which we identify as DGTEMs. GS2 [Dorland et al., Phys. Rev. Lett. 85, 5579 (2000)] predictions show the DGTEM can be suppressed, to avoid degradation with electron heating, by broadening the current density profile to attain q0>qmin>1 .

  10. Sperm fractions obtained following density gradient centrifugation in human ejaculates show differences in sperm DNA longevity

    Institute of Scientific and Technical Information of China (English)

    Jaime Goslvez; Stephen Johnston; Carmen Lpez-Fernndez; Altea Goslbez; Francisca Arroyo; Jose Lus Fernndez; Juan G lvarez

    2014-01-01

    Objective:To investigate the DNA longevity characteristics associated with each resultant fraction following density gradient centrifugation (DGC) in comparison to that of the original neat ejaculated sample. Methods:An aliquot of neat semen (NSS) collected from 7 patients was processed using DGC resulting in 3 fractions;Fraction 1:seminal plasma/40%gradient interface (GI);Fraction 2:40%GI/80%GI;Fraction 3:80%GI/pellet. An aliquot of each fraction and NSS was cryopreserved, thawed and incubated at 37 ℃for 24h;the increase of sperm DNA fragmentation was assessed using the Dyn-Halosperm assay following 0, 3, 6 and 24h of incubation. Results:While there was a significant reduction in the incidence of baseline sperm DNA fragmentation following DGC in Fraction 3, sperm DNA longevity was shown to be higher in the NSS than in any other sub-population following incubation. The highest levels of baseline DNA damage were found in Fractions 1 and 2;these fractions also showed the highest rate DNA fragmentation following incubation, subsequently exhibiting the lowest DNA longevity. Conclusion:1) Unnecessary incubation of spermatozoa prior to artificial insemination or in vitro fertilization, should be avoided, since sperm DNA longevity is significantly reduced after ex vivo sperm handling and 2) Although sperm selection by DCG significantly reduces the baseline levels of SDF of sperm in Fraction 3, sperm DNA longevity in this fraction was ultimately lower following 24 h incubation when compared to sperm recovered from non-centrifuged NSS.

  11. Separation of apolipoproteins of human very low density lipoproteins by chromatofocusing.

    Science.gov (United States)

    März, W; Gross, W

    1983-07-01

    Chromatofocusing represents a new chromatographic procedure for the separation of proteins according to their isoelectric points. We describe the application of this method for the fractionation of the urea-soluble apolipoproteins of very low density lipoproteins. They were separated into five peaks, four of which were homogeneous as judged by polyacrylamide gel electrophoresis in the presence of 7 mol/l urea.

  12. Density matrix renormalization group with efficient dynamical electron correlation through range separation

    Energy Technology Data Exchange (ETDEWEB)

    Hedegård, Erik Donovan, E-mail: erik.hedegard@phys.chem.ethz.ch; Knecht, Stefan; Reiher, Markus, E-mail: markus.reiher@phys.chem.ethz.ch [Laboratorium für Physikalische Chemie, ETH Zürich, Vladimir-Prelog-Weg 2, CH-8093 Zürich (Switzerland); Kielberg, Jesper Skau; Jensen, Hans Jørgen Aagaard, E-mail: hjj@sdu.dk [Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, Odense (Denmark)

    2015-06-14

    We present a new hybrid multiconfigurational method based on the concept of range-separation that combines the density matrix renormalization group approach with density functional theory. This new method is designed for the simultaneous description of dynamical and static electron-correlation effects in multiconfigurational electronic structure problems.

  13. Density matrix renormalization group with efficient dynamical electron correlation through range separation

    DEFF Research Database (Denmark)

    Hedegård, Erik D.; Knecht, Stefan; Kielberg, Jesper Skau

    2015-01-01

    We present a new hybrid multiconfigurational method based on the concept of range-separation that combines the density matrix renormalization group approach with density functional theory. This new method is designed for the simultaneous description of dynamical and static electroncorrelation...

  14. Method and apparatus for separating parts, in particular seeds, having different densities

    NARCIS (Netherlands)

    Rem, P.C.; Berkhout, S.P.M.; De Koning, J.R.A.

    2009-01-01

    A method for separating seeds of different densities in a process stream, wherein the seeds are introduced into a magnetic process fluid for the formation of the process stream, which process stream is subjected to a magnetic field for the realization of a density stratification in the process strea

  15. Density Matrix Renormalization Group with Efficient Dynamical Electron Correlation Through Range Separation

    CERN Document Server

    Hedegård, Erik Donovan; Kielberg, Jesper Skau; Jensen, Hans Jørgen Aagaard; Reiher, Markus

    2015-01-01

    We present a new hybrid multiconfigurational method based on the concept of range-separation that combines the density matrix renormalization group approach with density functional theory. This new method is designed for the simultaneous description of dynamical and static electron-correlation effects in multiconfigurational electronic structure problems.

  16. Measurement of the adhesion force between particles for high gradient magnetic separation of pneumatic conveyed powder products

    Energy Technology Data Exchange (ETDEWEB)

    Senkawa, K., E-mail: senkawa@qb.see.eng.osaka-u.ac.jp [Osaka University, A1 Bldg, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan); Nakai, Y.; Mishima, F.; Akiyama, Y.; Nishijima, S. [Osaka University, A1 Bldg, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan)

    2011-11-15

    In the industrial plants such as foods, medicines or industrial materials, there are big amount of issues on contamination by metallic wear debris originated from pipes of manufacturing lines. In this study, we developed a high gradient magnetic separation system (HGMS) under the dry process by using superconducting magnet to remove the ferromagnetic particles. One of the major problems of dry HGMS systems is, however, the blockage of magnetic filter caused by particle coagulation or deposition. In order to actualize the magnetic separation without blockage, we introduced pneumatic conveyance system as a new method to feed the powder. It is important to increase the drag force acting on the sufficiently dispersed particles, which require strong magnetic fields. To generate the strong magnetic fields, HGMS technique was examined which consists of a magnetic filter and a superconducting solenoid magnet. As a result of the magnetic separation experiment, it was shown that the separation efficiency changes due to the difference of the cohesive property of the particles. On the basis of the result, the adhesion force which acts between the ferromagnetic particles and the medium particles used for the magnetic separation was measured by Atomic Force Microscope (AFM), and cohesion of particles was studied from the aspect of interparticle interaction. We assessed a suitable flow velocity for magnetic separation according to the cohesive property of each particle based on the result.

  17. Microgravity Compatible Gas-Liquid Separation using Capillary Pressure Gradients Project

    Data.gov (United States)

    National Aeronautics and Space Administration — An innovative microgravity and hypogravity compatible Gas-Liquid Separator (GLS) is proposed. This novel GLS consists of an ordered array of variable sized water...

  18. High gradient magnetic separation versus expanded bed adsorption: a first principle comparison

    DEFF Research Database (Denmark)

    Hubbuch, Jürgen; Matthiesen, D.B.; Hobley, Timothy John

    2001-01-01

    A robust new adsorptive separation technique specifically designed for direct product capture from crude bioprocess feedstreams is introduced and compared with the current bench mark technique, expanded bed adsorption. The method employs product adsorption onto sub-micron sized non...

  19. A rapid and scalable density gradient purification method for Plasmodium sporozoites

    Directory of Open Access Journals (Sweden)

    Kennedy Mark

    2012-12-01

    Full Text Available Abstract Background Malaria remains a major human health problem, with no licensed vaccine currently available. Malaria infections initiate when infectious Plasmodium sporozoites are transmitted by Anopheline mosquitoes during their blood meal. Investigations of the malaria sporozoite are, therefore, of clear medical importance. However, sporozoites can only be produced in and isolated from mosquitoes, and their isolation results in large amounts of accompanying mosquito debris and contaminating microbes. Methods Here is described a discontinuous density gradient purification method for Plasmodium sporozoites that maintains parasite infectivity in vitro and in vivo and greatly reduces mosquito and microbial contaminants. Results This method provides clear advantages over previous approaches: it is rapid, requires no serum components, and can be scaled to purify >107 sporozoites with minimal operator involvement. Moreover, it can be effectively applied to both human (Plasmodium falciparum, Plasmodium vivax and rodent (Plasmodium yoelii infective species with excellent recovery rates. Conclusions This novel method effectively purifies viable malaria sporozoites by greatly reducing contaminating mosquito debris and microbial burdens associated with parasite isolation. Large-scale preparations of purified sporozoites will allow for enhanced in vitro infections, proteomics, and biochemical characterizations. In conjunction with aseptic mosquito rearing techniques, this purification technique will also support production of live attenuated sporozoites for vaccination.

  20. Radial gradients of phase space density in the inner electron radiation

    Science.gov (United States)

    Kim, Kyung-Chan; Shprits, Yuri

    2012-12-01

    While the outer radiation belt (3.5 inner radiation belt (1.2 inner electron belt in recent years. It has been generally accepted that the equilibrium structure of radiation belt electrons is explained by the slow inward radial diffusion from a source in the outer belt and losses by Coulomb collision and wave-particle interaction. In this study, we examine this well accepted theory using the radial profiles of the phase space density (PSD), inferred from in situ measurements made by three different satellites: S3-3, CRRES, and POLAR. Our results show that electron PSD in the inner electron belt has a clear prominent local peak and negative radial gradient in the outer portion of the inner zone, i.e., decreasing PSD with increasingL-value. A likely explanation for the peaks in PSD is acceleration due to energy diffusion produced by lightning-generated and anthropogenic whistlers. These results indicate that either additional local acceleration mechanism is responsible for the formation of the inner electron belt or inner electron belt is formed by sporadic injections of electrons into the inner zone. The currently well accepted model of slow diffusion and losses will be further examined by the upcoming Radiation Belt Storm Probes (RBSP) mission.

  1. Concentration gradient focusing and separation in a silica nanofluidic channel with a non-uniform electroosmotic flow.

    Science.gov (United States)

    Hsu, Wei-Lun; Harvie, Dalton J E; Davidson, Malcolm R; Jeong, Helen; Goldys, Ewa M; Inglis, David W

    2014-09-21

    The simultaneous concentration gradient focusing and separation of proteins in a silica nanofluidic channel of various geometries is investigated experimentally and theoretically. Previous modelling of a similar device [Inglis et al., Angew. Chem. Int. Ed., 2011, 50, 7546] assumed a uniform velocity profile along the length of the nanochannel. Using detailed numerical analysis incorporating charge regulation and viscoelectric effects, we show that in reality the varying axial electric field and varying electric double layer thickness caused by the concentration gradient, induce a highly non-uniform velocity profile, fundamentally altering the protein trapping mechanism: the direction of the local electroosmotic flow reverses and two local vortices are formed near the centreline of the nanochannel at the low salt concentration end, enhancing trapping efficiency. Simulation results for yellow/red fluorescent protein R-PE concentration enhancement, peak focusing position and peak focusing width are in good agreement with experimental measurements, validating the model. The predicted separation of yellow/red (R-PE) from green (Dyl-Strep) fluorescent proteins mimics that from a previous experiment [Inglis et al., Angew. Chem. Int. Ed., 2011, 50, 7546] conducted in a slightly different geometry. The results will inform the design of new class of matrix-free particle focusing and separation devices.

  2. A comparison of density functional theory and coupled cluster methods for the calculation of electric dipole polarizability gradients of methane

    DEFF Research Database (Denmark)

    Paidarová, Ivana; Sauer, Stephan P. A.

    2012-01-01

    We have compared the performance of density functional theory (DFT) using five different exchange-correlation functionals with four coupled cluster theory based wave function methods in the calculation of geometrical derivatives of the polarizability tensor of methane. The polarizability gradient...

  3. pi-Conjugated Gradient Copolymers Suppress Phase Separation and Improve Stability in Bulk Heterojunction Solar Cells

    Science.gov (United States)

    2014-01-01

    5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 5c. PROGRAM ELEMENT NUMBER 5b. GRANT NUMBER 5a. CONTRACT NUMBER Form Approved OMB NO...ray diffraction and differential scanning calorimetry , when the gradient copolymer was added (ESI†). The origin of the J–V curve distortion is...b) S. B. Darling and F. Q. You , RSC Adv., 2013, 3, 17633–17648. 2 For a comprehensive review, see: M. T. Dang, L. Hirsch and G. Wantz, Adv. Mater

  4. Concentration influences on recovery in a high gradient magnetic separation axial filter

    Energy Technology Data Exchange (ETDEWEB)

    Murariu, V.; Rezlescu, N.; Rotariu, O.; Badescu, V. [Inst. of Technical Physics, Iasi (Romania)

    1998-05-01

    The buildup differential equations for the case of a single wire in high gradient magnetic filtration (HGMF)-axial configuration taking into account the suspension concentration are solved. A new equation for the deposit contour surface at different moments and for different suspension concentrations are obtained. The existence of a particulate suspension concentration, for which the radial extension velocity of deposit is maximum, is evidenced. The recovery for an ordered ferromagnetic matrix is calculated. The influence of the solid particle concentration from suspension on the filtration efficiency is presented.

  5. Semilocal exchange hole with an application to range-separation density functional

    CERN Document Server

    Tao, Jianmin; Scuseria, Gustavo E

    2016-01-01

    Exchange-correlation hole is a central concept in density functional theory. It not only provides justification for an exchange-correlation energy functional, but also serves as a local ingredient in nonlocal range-separation density functional. However, due to the nonlocal nature, modelig the conventional exact exchange hole presents a great challenge to density functional theory. In this work, we propose a semilocal exchange hole underlying the Tao-Perdew-Staroverov-Scuseria (TPSS) meta-GGA functional. The present model is distinct from previous models at small separation between an electron and the hole around the electron. It is also different in the way it interpolates between the rapidly varying iso-orbital density and the slowly varying density, which is determined by the wave vector analysis based on the exactly solvable infinite barrier model for jellium surface. Our numerical tests show that the exchange hole generated from this model mimics the conventional exact exchange hole quite well for atoms....

  6. A deformation mechanism map for polycrystals modeled using strain gradient plasticity and interfaces that slide and separate

    DEFF Research Database (Denmark)

    Dahlberg, Carl F.O.; Faleskog, Jonas; Niordson, Christian Frithiof

    2013-01-01

    Small scale strain gradient plasticity is coupled with a model of grain boundaries that take into account the energetic state of a plastically strained boundary and the slip and separation between neighboring grains. A microstructure of hexagonal grains is investigated using a plane strain finite...... element model. The results show that three different microstructural deformation mechanisms can be identified. The standard plasticity case in which the material behaves as expected from coarse grained experiments, the nonlocal plasticity region where size of the microstructure compared to some intrinsic...

  7. Separation and determination of lanthanides, thorium and uranium using a dual gradient in reversed-phase liquid chromatography.

    Science.gov (United States)

    Raut, Narendra M; Jaison, P G; Aggarwal, Suresh K

    2004-10-15

    Separation and determination of lanthanides, Th and U is of great relevance in different fields of science and technology. Reversed-phase high-performance liquid chromatography (RP-HPLC) using alpha-hydroxy isobutyric acid (alpha-HIBA) as an eluent on reversed-phase column modified to cation exchanger has been reported to achieve the separation. However, under those conditions, Th and U are eluted amongst lanthanides, making their quantification difficult due to overlapping with some of the lanthanides peaks. In this work, different chromatographic parameters (concentrations of eluent and ion interaction reagent, pH, etc.) were studied systematically to arrive at optimum chromatographic conditions. Using the dual (concentration and pH) gradient conditions, lanthanides, Th and U could be separated in 11 min by RP-HPLC with sequential elution of Th and U after the elution of all the lanthanides. The separation methodology was tested using SY-3 rock sample for the separation and determination of lanthanides, Th and U. The method allows an accurate determination of these elements in a single run using a single column. Also, the method is fast and cost-effective compared to the reported methods.

  8. Development of hydrophilicity gradient ultracentrifuga- tion method for photoluminescence investigation of separated non-sedimental carbon dots

    Institute of Scientific and Technical Information of China (English)

    Li Deng; Xiaolei Wang; Yun Kuang; Cheng Wang; Liang Luo; Fang Wang; Xiaoming Sun

    2015-01-01

    Carbon nanodots (CDs) formed by hydrothermal dehydration occur as mixtures of differently sized nanoparticles with different degrees of carbonization. Common ultracentrifugation has failed in sorting them, owing to their extremely high colloidal stability. Here, we introduce an ultracentrifugation method using a hydrophilicity gradient to sort such non-sedimental CDs. CDs, synthesized from citric acid and ethylenediamine, were pre-treated by acetone to form clusters. Such clusters "de-clustered" as media comprising gradients of ethanol they were forced to sediment through and water with varied volume ratios. Primary CDs with varied sizes and degrees of carbonization detached from the clusters to become well dispersed in the corresponding gradient layers. Their settling level was highly dependent on the varied hydrophilicity and solubility of the environmental media. Thus, the proposed hydrophilicity-triggered sorting strategy could be used for other nanoparticles with extremely high colloidal stability, which further widens the range of sortable nanoparticles. Furthermore, according to careful analysis of the changes in size, composition, quantum yield, and transient fluorescence of typical CDs in the post-separation fractions, it was concluded that the photoluminescence of the as-prepared hydrothermal carbonized CDs mainly arose from the particles' surface molecular state rather than their sizes.

  9. Arrays of quasi-hexagonally ordered silica nanopillars with independently controlled areal density, diameter and height gradients

    Science.gov (United States)

    Özdemir, Burcin; Huang, Wenting; Plettl, Alfred; Ziemann, Paul

    2015-03-01

    A consecutive fabrication approach of independently tailored gradients of the topographical parameters distance, diameter and height in arrays of well-ordered nanopillars on smooth SiO2-Si-wafers is presented. For this purpose, previously reported preparation techniques are further developed and combined. First, self-assembly of Au-salt loaded micelles by dip-coating with computer-controlled pulling-out velocities and subsequent hydrogen plasma treatment produce quasi-hexagonally ordered, 2-dimensional arrays of Au nanoparticles (NPs) with unidirectional variations of the interparticle distances along the pulling direction between 50-120 nm. Second, the distance (or areal density) gradient profile received in this way is superimposed with a diameter-controlled gradient profile of the NPs applying a selective photochemical growth technique. For demonstration, a 1D shutter is used for locally defined UV exposure times to prepare Au NP size gradients varying between 12 and 30 nm. Third, these double-gradient NP arrangements serve as etching masks in a following reactive ion etching step delivering arrays of nanopillars. For height gradient generation, the etching time is locally controlled by applying a shutter made from Si wafer piece. Due to the high flexibility of the etching process, the preparation route works on various materials such as cover slips, silicon, silicon oxide, silicon nitride and silicon carbide.

  10. A model for thin layer formation by delayed particle settling at sharp density gradients

    Science.gov (United States)

    Prairie, Jennifer C.; White, Brian L.

    2017-02-01

    Thin layers - regions where plankton or particles accumulate vertically on scales of a few meters or less - are common in coastal waters, and have important implications for both trophic dynamics and carbon cycling. These features can form by a variety of biological and physical mechanisms, including localized growth, shear-thinning, and directed swimming. An additional mechanism may result in the formation of thin layers of marine aggregates, which have been shown to decrease their settling velocity when passing through sharp density gradients, a behavior termed delayed settling. Here, we apply a simple vertical advection-diffusion model to predict the properties of aggregate thin layers formed by this process. We assume a constant vertical flux of particles from the surface, which is parameterized by observations from laboratory experiments with marine aggregates. The formation, maintenance, and shape of the layers are described in relation to non-dimensional numbers that depend on environmental conditions and particle settling properties. In particular, model results demonstrate layer intensity and sharpness both increase with higher Péclet number (Pe), that is, under conditions with weaker mixing relative to layer formation. Similarly, more intense and sharper layers are found when the delayed settling behavior of aggregates is characterized by a lower velocity minimum. The model also predicts layers that are vertically asymmetric and highly "peaky" when compared with a Gaussian distribution, features often seen in thin layers in natural environments. Lastly, by comparing model predictions with observations of thin layers in the field, we are able to gain some insight into the applicability of delayed settling as a thin layer formation mechanism in different environmental conditions.

  11. Rapid separation of desloratadine and related compounds in solid pharmaceutical formulation using gradient ion-pair chromatography.

    Science.gov (United States)

    Zheng, Jinjian; Rustum, Abu M

    2010-01-01

    We reported the development of an ion-pair chromatographic method to separate desloratadine and all known related compounds in Clarinex Tablets, which use desloratadine as active pharmaceutical ingredient (API). For the first time, baseline separation for desloratadine and all known related compounds was achieved by utilizing a YMC-Pack Pro C(18) column (150 mm x 4.6 mm I.D., 3 microm particle size, 120A pore size) and a gradient elution method. The mobile phase A contains 3 mM sodium dodecylsulfate (SDS), 15 mM sodium citrate buffer at pH 6.2, and 40 mM sodium sulfate, while the mobile phase B is acetonitrile. Chromsword, an artificial intelligence method development tool, was used to optimize several key chromatographic parameters simultaneously including buffer pH/solvent strength, and temperature/gradient profile. The resolution of desloratadine and desloratadine 3,4-dehydropiperidine derivative, one of the critical pairs was improved by adding 40 mM sodium sulfate. Ultraviolet detection at 267 nm was used to achieve the detection for desloratadine and all compounds. This method has been successfully validated according to ICH guidelines in terms of linearity, accuracy, quantitation limit/detection limit, precision, specificity and robustness. It could be used as a stability indicating method for desloratadine drug substances or drug products that use desloratadine as active pharmaceutical ingredient.

  12. Separation of copper flotation concentrates into density fractions by means of polytungstate aqueous solution

    Directory of Open Access Journals (Sweden)

    Luszczkiewicz Andrzej

    2016-01-01

    Full Text Available Industrial and laboratory flotation copper concentrates were subjected to separation into density fractions by means of heavy liquids in the form of sodium polytungstate aqueous solutions. For two samples, three densities factions were created, however in different density ranges. The density fractions were analyzed to establish the content of copper, lead, silver and organic carbon. The size of particles in both samples was similar (90-95% −0.071 mm. It was found that the lightest density fractions −2.45 and −2.0 g/cm3 still contained sulfide minerals scattered in the organic carbon bearing particles. Removal of the lightest density fraction (−2.0 g/cm3 from the industrial concentrate samples led to considerable reduction of organic carbon (92% and increasing its quality from 13 to 28% Cu. The mineralogical analysis of the heavy liquid separation products showed that most sulfide minerals were evenly dissemination in the heaviest density fractions with the recovery of 95-98%. The lightest density fraction of −2.0 g/cm3, being the richest in organic carbon, contained approximately 3% of unliberated sulfide minerals.

  13. Analytical gradients of the state-average complete active space self-consistent field method with density fitting

    Energy Technology Data Exchange (ETDEWEB)

    Delcey, Mickaël G. [Department of Chemistry – Ångström, The Theoretical Chemistry Programme, Uppsala University, P.O. Box 518, 751 20 Uppsala (Sweden); Pedersen, Thomas Bondo [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Oslo, P.O. Box 1033 Blindern, 0315 Oslo (Norway); Aquilante, Francesco [Department of Chemistry – Ångström, The Theoretical Chemistry Programme, Uppsala University, P.O. Box 518, 751 20 Uppsala (Sweden); Dipartimento di chimica “G. Ciamician,” Università di Bologna, V. F. Selmi 2, 40126 Bologna (Italy); Lindh, Roland, E-mail: roland.lindh@kemi.uu.se [Department of Chemistry – Ångström, The Theoretical Chemistry Programme, Uppsala University, P.O. Box 518, 751 20 Uppsala (Sweden); Uppsala Center for Computational Chemistry - UC_3, Uppsala University, P.O. Box 518, 751 20 Uppsala (Sweden)

    2015-07-28

    An efficient implementation of the state-averaged complete active space self-consistent field (SA-CASSCF) gradients employing density fitting (DF) is presented. The DF allows a reduction both in scaling and prefactors of the different steps involved. The performance of the algorithm is demonstrated on a set of molecules ranging up to an iron-Heme b complex which with its 79 atoms and 811 basis functions is to our knowledge the largest SA-CASSCF gradient computed. For smaller systems where the conventional code could still be used as a reference, both the linear response calculation and the gradient formation showed a clear timing reduction and the overall cost of a geometry optimization is typically reduced by more than one order of magnitude while the accuracy loss is negligible.

  14. Method and apparatus for the separation of solid particles having different densities

    NARCIS (Netherlands)

    Rem, P.C.; Berkhout, S.P.M.

    2011-01-01

    A method and apparatus for separating solid particles of different densities, using a magnetic process fluid. The solid particles are thoroughly mixed in a small partial flow of the process fluid. The small turbulent partial flow is added to a large laminar partial flow of the process fluid, after w

  15. Lifshitz-Slyozov kinetics of a nonconserved system that separates into phases of different density

    DEFF Research Database (Denmark)

    Mouritsen, Ole G.; Shah, Peter Jivan; Andersen, Jørgen Vitting

    1990-01-01

    Computer-simulation techniques are applied to analyze the late-stage ordering kinetics of a two-dimensional annealed dilute Ising model quenched into regions of its phase diagram that involve phase separation of phases with different densities. The order parameter of the model is a nonconserved q...

  16. Method and apparatus for the separation of solid particles having different densities

    NARCIS (Netherlands)

    Rem, P.C.; Berkhout, S.P.M.

    2011-01-01

    A method and apparatus for separating solid particles of different densities, using a magnetic process fluid. The solid particles are thoroughly mixed in a small partial flow of the process fluid. The small turbulent partial flow is added to a large laminar partial flow of the process fluid, after

  17. Separable Transition Density in the Hybrid Model for Tumor-Immune System Competition

    Directory of Open Access Journals (Sweden)

    Carlo Cattani

    2012-01-01

    Full Text Available A hybrid model, on the competition tumor cells immune system, is studied under suitable hypotheses. The explicit form for the equations is obtained in the case where the density function of transition is expressed as the product of separable functions. A concrete application is given starting from a modified Lotka-Volterra system of equations.

  18. Separate density and viscosity measurements of unknown liquid using quartz crystal microbalance

    Directory of Open Access Journals (Sweden)

    Feng Tan

    2016-09-01

    Full Text Available Aqueous liquids have a wide range of applications in many fields. Basic physical properties like the density and the viscosity have great impacts on the functionalities of a given ionic liquid. For the millions kinds of existing liquids, only a few have been systematically measured with the density and the viscosity using traditional methods. However, these methods are limited to measure the density and the viscosity of an ionic liquid simultaneously especially in processing micro sample volumes. To meet this challenge, we present a new theoretical model and a novel method to separate density and viscosity measurements with single quartz crystal microbalance (QCM in this work. The agreement of experimental results and theocratical calculations shows that the QCM is capable to measure the density and the viscosity of ionic liquids.

  19. In-plant testing of the floatex density separator for fine coal cleaning

    Energy Technology Data Exchange (ETDEWEB)

    Reed, S.R.; Riffey, R. [Kerr McGee Coal Corp., Oklahoma City, OK (United States); Honaker, R. [Southern Illinois Univ., Carbondale, IL (United States); Mankosa, M. [Carpco, Inc., Jacksonville, FL (United States)

    1995-08-01

    A recent study found the Floatex Density Separator to be very efficient at cleaning the coarse fraction (16x100 mesh) in a typical fine coal circuit feed while achieving a throughput capacity of 2-3 tph/ft{sup 2}. Additionally, total sulfur rejection was improved by 10% as compared to typical spiral performance on this same size fraction. Based on these findings, in-plant tests using an 18x18-inch Floatex Density Separator were conducted at the Galatia preparation plant in Southern Illinois. A statistically designed test program was carried out to optimize the Floatex operating conditions and to evaluate the unit capacity and efficiency. Simultaneous samples were collected from the Floatex and the existing coal spirals to obtain a comparison of the separation performance for each unit process.

  20. Phase-space consistency of stellar dynamical models determined by separable augmented densities

    CERN Document Server

    An, J; Baes, M

    2012-01-01

    Assuming the separable augmented density, it is always possible to construct a distribution function of a spherical population with any given density and anisotropy. We consider under what conditions the distribution constructed as such is in fact non-negative everywhere in the accessible phase-space. We first generalize known necessary conditions on the augmented density using fractional calculus. The condition on the radius part R(r^2) (whose logarithmic derivative is the anisotropy parameter) is equivalent to the complete monotonicity of R(1/w)/w. The condition on the potential part on the other hand is given by its derivative up to any order not greater than (3/2-beta) being non-negative where beta is the central anisotropy parameter. We also derive a specialized inversion formula for the distribution from the separable augmented density, which leads to sufficient conditions on separable augmented densities for the non-negativity of the distribution. The last generalizes the similar condition derived earl...

  1. Development of superconducting high gradient magnetic separation system for scale removal from feed-water in thermal power plant

    Energy Technology Data Exchange (ETDEWEB)

    Shibatani, Saori; Nakanishi, Motohiro; Mizuno, Nobumi [Osaka University, Osaka (Japan); and others

    2016-03-15

    A Superconducting High Gradient Magnetic Separation (HGMS) system is proposed for treatment of feed-water in thermal power plant. This is a method to remove the iron scale from feed-water utilizing magnetic force. One of the issues for practical use of HGMS system is to extend continuous operation period. In this study, we designed the magnetic filters by particle trajectory simulation and HGMS experiments in order to solve this problem. As a result, the quantity of magnetite captured by each filter was equalized and filter blockage was prevented. A design method of the magnetic filter was proposed which is suitable for the long-term continuous scale removal in the feed-water system of the thermal power plant.

  2. Spin-charge and spin-orbital separations in density-functional theory

    CERN Document Server

    Vieira, Daniel

    2012-01-01

    It is known that the separation of electrons into spinons and chargons, the spin-charge separation, plays a decisive role when describing strongly correlated one-dimensional (1D) Friedel oscillations. Here, we extend the investigation by considering a third electron fractionalization: the separation into spinons and orbitons. Specifically, we deal with two exact constraints of exchange-correlation (XC) density-functionals: (i) The constancy of the highest occupied Kohn-Sham eigenvalues upon fractional electron numbers, and (ii) their discontinuities at integers. By means of 1D Hubbard chains, we show that spin-orbital separation can be decisive when dealing with derivative discontinuities of XC potentials, especially at strong correlations.

  3. Dynamic density functional theory with hydrodynamic interactions: theoretical development and application in the study of phase separation in gas-liquid systems.

    Science.gov (United States)

    Kikkinides, E S; Monson, P A

    2015-03-07

    Building on recent developments in dynamic density functional theory, we have developed a version of the theory that includes hydrodynamic interactions. This is achieved by combining the continuity and momentum equations eliminating velocity fields, so the resulting model equation contains only terms related to the fluid density and its time and spatial derivatives. The new model satisfies simultaneously continuity and momentum equations under the assumptions of constant dynamic or kinematic viscosity and small velocities and/or density gradients. We present applications of the theory to spinodal decomposition of subcritical temperatures for one-dimensional and three-dimensional density perturbations for both a van der Waals fluid and for a lattice gas model in mean field theory. In the latter case, the theory provides a hydrodynamic extension to the recently studied dynamic mean field theory. We find that the theory correctly describes the transition from diffusive phase separation at short times to hydrodynamic behaviour at long times.

  4. Separations by gradient elution: why are steep gradient profiles distorted and what is their impact on resolution in reversed-phase liquid chromatography.

    Science.gov (United States)

    Gritti, Fabrice; Guiochon, Georges

    2014-05-30

    The formation of a concentration shock layer of either methanol or acetonitrile used as the modifier in steep RPLC aqueous/organic gradients was predictable from their excess adsorption isotherm and was directly observed from their elution profiles recorded in UV absorption. A discontinuity of the concentration profile of the organic modifier arises and grows along the column. Its effects on the peak shapes and the resolution levels achieved in steep gradient chromatography were measured in the recorded chromatograms of a sample mixture containing 14 different analytes uniformly distributed across the gradient retention window. The results showed severe peak shape deformation for some compounds and a significant degradation of the baseline resolution of weakly (when using acetonitrile) and moderately (when using methanol) retained analytes. Solutions to limit this loss of resolution may lie in changing the initial gradient conditions or in adjusting the curvature of the gradient profile at the column inlet.

  5. Development of gradient-corrected exchange-correlation functionals in the density functional theory; Developpement de fonctionnelles corrigees du gradient en theorie de la fonctionnelle de la densite

    Energy Technology Data Exchange (ETDEWEB)

    Lembarki, A.

    1994-12-01

    In this work, we have developed some gradient-corrected exchange-correlation functionals. This study is in keeping with the density functional theory (DFT) formalism. In the first part of this memory, a description of Hartree-Fock (HF), post-HF and density functional theories is given. The second part is devoted the study the different approximations of DFT exchange-correlation functionals which have been proposed in the last years. In particular, we have underlined the approximations used for the construction of these functionals. The third part of this memory consists in the development of new gradient-corrected functionals. In this study, we have established a new relation between exchange energy, correlation energy and kinetic energy. We have deduced two new possible forms of exchange or correlation functionals, respectively. In the fourth part, we have studied the exchange potential, for which the actual formulation does not satisfy some theoretical conditions, such as the asymptotic behavior -1/r. Our contribution lies in the development of an exchange potential with a correct asymptotic -1/r behavior for large values of r. In this chapter, we have proposed a model which permits the obtention of the exchange energy from the exchange potential, using the virial theorem. The fifth part of this memory is devoted the application of these different functionals to simple systems (H{sub 2}O, CO, N{sub 2}O, H{sub 3}{sup +} and H{sub 5}{sup +}) in order to characterize the performance of DFT calculations in regards to those obtained with post-HF methods. (author). 215 refs., 8 figs., 28 tabs.

  6. Study on the hydrocyclonic separation of waste plastics with different density.

    Science.gov (United States)

    Yuan, H; Fu, S; Tan, W; He, J; Wu, K

    2015-11-01

    The recycling of waste plastics is an important aspect in the recycling of solid waste. Based on the difference in density, PET and PVC particles was separated with help of the centrifugal sedimentation and shearing dispersion in a hydrocyclone. Through tests and CFD simulation, the relationship between the separating efficiency and pressure drop and split ratio has been investigated. Test results show that the Newton efficiency can reach above 80%, i.e. the purity of PVC could reach 93.2% while the purity of PET could reach 94.5%.

  7. Tuning Range-Separated Density Functional Theory for Photocatalytic Water Splitting Systems

    CERN Document Server

    Bokareva, Olga S; Bokarev, Sergey I; Kühn, Oliver

    2015-01-01

    We discuss the applicability of long-range separated density functional theory (DFT) to the prediction of electronic transitions of a particular photocatalytic system based on an Ir(III) photosensitizer (IrPS). Special attention is paid to the charge-transfer properties which are of key importance for the photoexcitation dynamics, but and cannot be correctly described by means of conventional DFT. The optimization of the range-separation parameter is discussed for IrPS including its complexes with electron donors and acceptors used in photocatalysis. Particular attention is paid to the problems arising for a description of medium effects by a polarizable continuum model.

  8. Numerical Study of Nonperturbative Corrections to the Chiral Separation Effect in Quenched Finite-Density QCD

    Science.gov (United States)

    Puhr, Matthias; Buividovich, P. V.

    2017-05-01

    We demonstrate the nonrenormalization of the chiral separation effect (CSE) in quenched finite-density QCD in both confinement and deconfinement phases using a recently developed numerical method which allows us, for the first time, to address the transport properties of exactly chiral, dense lattice fermions. This finding suggests that CSE can be used to fix renormalization constants for axial current density. Explaining the suppression of the CSE which we observe for topologically nontrivial gauge field configurations on small lattices, we also argue that CSE vanishes for self-dual non-Abelian fields inside instanton cores.

  9. Multiphase Transport in Porous Media: Gas-Liquid Separation Using Capillary Pressure Gradients International Space Station (ISS) Flight Experiment Development

    Science.gov (United States)

    Wheeler, Richard R., Jr.; Holtsnider, John T.; Dahl, Roger W.; Deeks, Dalton; Javanovic, Goran N.; Parker, James M.; Ehlert, Jim

    2013-01-01

    Advances in the understanding of multiphase flow characteristics under variable gravity conditions will ultimately lead to improved and as of yet unknown process designs for advanced space missions. Such novel processes will be of paramount importance to the success of future manned space exploration as we venture into our solar system and beyond. In addition, because of the ubiquitous nature and vital importance of biological and environmental processes involving airwater mixtures, knowledge gained about fundamental interactions and the governing properties of these mixtures will clearly benefit the quality of life here on our home planet. The techniques addressed in the current research involving multiphase transport in porous media and gas-liquid phase separation using capillary pressure gradients are also a logical candidate for a future International Space Station (ISS) flight experiment. Importantly, the novel and potentially very accurate Lattice-Boltzmann (LB) modeling of multiphase transport in porous media developed in this work offers significantly improved predictions of real world fluid physics phenomena, thereby promoting advanced process designs for both space and terrestrial applications.This 3-year research effort has culminated in the design and testing of a zero-g demonstration prototype. Both the hydrophilic (glass) and hydrophobic (Teflon) media Capillary Pressure Gradient (CPG) cartridges prepared during the second years work were evaluated. Results obtained from ground testing at 1-g were compared to those obtained at reduced gravities spanning Martian (13-g), Lunar (16-g) and zero-g. These comparisons clearly demonstrate the relative strength of the CPG phenomena and the efficacy of its application to meet NASAs unique gas-liquid separation (GLS) requirements in non-terrestrial environments.LB modeling software, developed concurrently with the zero-g test effort, was shown to accurately reproduce observed CPG driven gas-liquid separation

  10. Structured DC Electric Fields With and Without Associated Plasma Density Gradients Observed with the C/NOFS Satellite

    Science.gov (United States)

    Pfaff, R.; Rowland, D.; Klenzing, J.; Freudenreich, H.; Bromund, K.; Liebrecht, C.; Roddy, P.; Hunton, D.

    2009-01-01

    DC electric field observations and associated plasma drifts gathered with the Vector Electric Field Investigation on the Air Force Communication/Navigation Outage Forecasting System (C/NOFS) satellite typically reveal considerable variation at large scales (approximately 100's of km), in both daytime and nighttime cases, with enhanced structures usually confined to the nightside. Although such electric field structures are typically associated with plasma density depletions and structures, as observed by the Planar Langmuir Probe on C/NOFS, what is surprising is the number of cases in which large amplitude, structured DC electric fields are observed without a significant plasma density counterpart structure, including their appearance at times when the ambient plasma density appears relatively quiescent. We investigate the relationship of such structured DC electric fields and the ambient plasma density in the C/NOFS satellite measurements observed thus far, taking into account both plasma density depletions and enhancements. We investigate the mapping of the electric fields along magnetic field lines from distant altitudes and latitudes to locations where the density structures, which presumably formed the original seat of the electric fields, are no longer discernible in the observations. In some cases, the electric field structures and spectral characteristics appear to mimic those associated with equatorial spread-F processes, providing important clues to their origins. We examine altitude, seasonal, and longitudinal effects in an effort to establish the origin of such structured DC electric fields observed both with, and without, associated plasma density gradients

  11. Electric field gradients of transition metal complexes from density functional theory: assessment of functionals, geometries and basis sets.

    Science.gov (United States)

    Bjornsson, Ragnar; Bühl, Michael

    2010-06-14

    Electric field gradients (EFGs) were computed for the first-row transition metal nuclei in Cr(C(6)H(6))(CO)(3), MnO(3)F, Mn(CO)(5)H, MnCp(CO)(3), Co(CO)(4)H, Co(CO)(3)(NO) and VCp(CO)(4), for which experimental gas-phase data (in form of nuclear quadrupole coupling constants) are available from microwave spectroscopy. A variety of exchange-correlation functionals were assessed, among which range-separated hybrids (such as CAM-B3LYP or LC-omegaPBE) perform best, followed by global hybrids (such as B3LYP and PBE0) and gradient-corrected functionals (such as BP86). While large basis sets are required on the metal atom for converged EFGs, smaller basis sets can be employed on the ligands. In most cases, EFGs show little sensitivity toward the geometrical parameters.

  12. Correlation between density fluctuations and plasma gradients at the edge of the TORE SUPRA tokamak

    Energy Technology Data Exchange (ETDEWEB)

    Devynck, P.; Garbet, X.; Laviron, C.; Payan, J.; Haas, J. de; Clairet, F.; Talvard, M. [Association Euratom-CEA, Centre d`Etudes de Cadarache, 13 - Saint-Paul-lez-Durance (France). Dept. de Recherches sur la Fusion Controlee; Gervais, F.; Gresillon, D.; Hennequin, P.; Quemeneur, A.; Truc, A. [Ecole Polytechnique, 91 - Palaiseau (France). Lab. de Physique des Milieux Ionises

    1993-12-31

    The ALTAIR diagnostic uses scattering on the plasma electrons with the help of an IR laser beam to obtain information on the density fluctuations. This diagnostic can simultaneously record fluctuations from two independent wave numbers. Two experiments are carried out: study of the density fluctuations during strong plasma heating that combined both low hybrid waves and ion cyclotron heating; density fluctuations associated to the tokamak gas-feed modulation. 6 figs., 5 refs.

  13. [The study of the growth of tylosin producer using differential centrifugation of mycelium in a sucrose density gradient].

    Science.gov (United States)

    Salamakha, O V; Rogatykh, N P; Savochkina, I V; Tikhomirova, L A; Bazarenko, I L

    1989-01-01

    The mycelium of Streptomyces fradiae was fractionated by differential centrifugation in a sucrose density gradient (SDG) using various samples of the inoculation material and aliquots of the cultural broth taken in the course of tylosin production. The mode of mycelium distribution in SDG made it possible to select the most active inoculation material. The mycelium was redistributed from sucrose layers with a high density to those with a lower density in the course of fermentation. The fractions differed in the antibiotic activity but none of them had an activity higher than in the control centrifuged in 30% sucrose and washed off just like the fractions. Therefore, mycelium fractionation in SDG would not elevate its antibiotic activity. The paper presents the cytological characteristics of different fractions changing in the course of fermentation.

  14. Range-separated double-hybrid density-functional theory applied to periodic systems

    OpenAIRE

    Sansone, Giuseppe; Civalleri, Bartolomeo; Usvyat, Denis; Toulouse, Julien; Sharkas, Kamal; Maschio, Lorenzo

    2015-01-01

    International audience; Quantum chemistry methods exploiting density-functional approximations for short-range electron-electron interactions and second-order M{{\\o}}ller-Plesset (MP2) perturbation theory for long-range electron-electron interactions have been implemented for periodic systems using Gaussian-type basis functions and the local correlation framework. The performance of these range-separated double hybrids has been benchmarked on a significant set of systems including rare-gas, m...

  15. Laplacian-dependent models of the kinetic energy density: Applications in subsystem density functional theory with meta-generalized gradient approximation functionals.

    Science.gov (United States)

    Śmiga, Szymon; Fabiano, Eduardo; Constantin, Lucian A; Della Sala, Fabio

    2017-02-14

    The development of semilocal models for the kinetic energy density (KED) is an important topic in density functional theory (DFT). This is especially true for subsystem DFT, where these models are necessary to construct the required non-additive embedding contributions. In particular, these models can also be efficiently employed to replace the exact KED in meta-Generalized Gradient Approximation (meta-GGA) exchange-correlation functionals allowing to extend the subsystem DFT applicability to the meta-GGA level of theory. Here, we present a two-dimensional scan of semilocal KED models as linear functionals of the reduced gradient and of the reduced Laplacian, for atoms and weakly bound molecular systems. We find that several models can perform well but in any case the Laplacian contribution is extremely important to model the local features of the KED. Indeed a simple model constructed as the sum of Thomas-Fermi KED and 1/6 of the Laplacian of the density yields the best accuracy for atoms and weakly bound molecular systems. These KED models are tested within subsystem DFT with various meta-GGA exchange-correlation functionals for non-bonded systems, showing a good accuracy of the method.

  16. Density functional theory of gas-liquid phase separation in dilute binary mixtures.

    Science.gov (United States)

    Okamoto, Ryuichi; Onuki, Akira

    2016-06-22

    We examine statics and dynamics of phase-separated states of dilute binary mixtures using density functional theory. In our systems, the difference of the solvation chemical potential between liquid and gas [Formula: see text] (the Gibbs energy of transfer) is considerably larger than the thermal energy [Formula: see text] for each solute particle and the attractive interaction among the solute particles is weaker than that among the solvent particles. In these conditions, the saturated vapor pressure increases by [Formula: see text], where [Formula: see text] is the solute density added in liquid. For [Formula: see text], phase separation is induced at low solute densities in liquid and the new phase remains in gaseous states, even when the liquid pressure is outside the coexistence curve of the solvent. This explains the widely observed formation of stable nanobubbles in ambient water with a dissolved gas. We calculate the density and stress profiles across planar and spherical interfaces, where the surface tension decreases with increasing interfacial solute adsorption. We realize stable solute-rich bubbles with radius about 30 nm, which minimize the free energy functional. We then study dynamics around such a bubble after a decompression of the surrounding liquid, where the bubble undergoes a damped oscillation. In addition, we present some exact and approximate expressions for the surface tension and the interfacial stress tensor.

  17. Stochastic Optimally-Tuned Ranged-Separated Hybrid Density Functional Theory

    CERN Document Server

    Neuhauser, Daniel; Cytter, Yael; Baer, Roi

    2015-01-01

    We develop a stochastic formulation of the optimally-tuned range-separated hybrid density functional theory which enables significant reduction of the computational effort and scaling of the non-local exchange operator at the price of introducing a controllable statistical error. Our method is based on stochastic representations of the Coulomb convolution integral and of the generalized Kohn-Sham density matrix. The computational cost of the approach is similar to that of usual Kohn-Sham density functional theory, yet it provides much more accurate description of the quasiparticle energies for the frontier orbitals. This is illustrated for a series of silicon nanocrystals up to sizes exceeding 3000 electrons. Comparison with the stochastic GW many-body perturbation technique indicates excellent agreement for the fundamental band gap energies, good agreement for the band-edge quasiparticle excitations, and very low statistical errors in the total energy for large systems. The present approach has a major advan...

  18. Fractionation of Saprolegnia diclina (Oomycetes) satelite DNAs by AgNO3/Cs2SO4 density gradient centrifugation.

    Science.gov (United States)

    Neish, G A; Green, B R

    1977-12-14

    Saprolegnia diclina DNA has been fractionated using preparative AgNO3/Cs2SO4 and CsCl density gradients. In addition to the previously identified major satellite DNA, there are two minor DNA components banding at 1.682 and 1.701 g - cm(-3) in CsCl. Purified major satellite DNA bands at 1.707 g - cm(-3) giving a base composition of 48% G + C in good agreement with 47% G + C calculated from its Tm value. The nuclear DNA base composition is 58% G + C by both methods. The base composition of the major satellite DNA suggests that it may represent ribosomal DNA cistrons.

  19. Mapping axonal density and average diameter using non-monotonic time-dependent gradient-echo MRI

    DEFF Research Database (Denmark)

    Nunes, Daniel; Cruz, Tomás L; Jespersen, Sune N

    2017-01-01

    Abstract White Matter (WM) microstructures, such as axonal density and average diameter, are crucial to the normal function of the Central Nervous System (CNS) as they are closely related with axonal conduction velocities. Conversely, disruptions of these microstructural features may result....... While clearly further modelling and theoretical developments are necessary, we conclude that salient WM microstructural features can be extracted from these simple, SNR-efficient multi-gradient echo MRI, and that this paves the way towards easier estimation of WM microstructure in vivo....

  20. Spatially separated charge densities of electrons and holes in organic-inorganic halide perovskites

    Energy Technology Data Exchange (ETDEWEB)

    Li, Dan; Liang, Chunjun, E-mail: chjliang@bjtu.edu.cn, E-mail: zhqhe@bjtu.edu.cn; Zhang, Huimin; You, Fangtian; He, Zhiqun, E-mail: chjliang@bjtu.edu.cn, E-mail: zhqhe@bjtu.edu.cn [Key Laboratory of Luminescence and Optical Information, Ministry of Education, School of Science, Beijing Jiaotong University, Beijing 100044 (China); Zhang, Chunxiu [Information Recording Materials Lab, Beijing Institute of Graphic Communication, Beijing 102600 (China)

    2015-02-21

    Solution-processable methylammonium lead trihalide perovskites exhibit remarkable high-absorption and low-loss properties for solar energy conversion. Calculation from density functional theory indicates the presence of non-equivalent halogen atoms in the unit cell because of the specific orientation of the organic cation. Considering the 〈100〉 orientation as an example, I{sub 1}, one of the halogen atoms, differs from the other iodine atoms (I{sub 2} and I{sub 3}) in terms of its interaction with the organic cation. The valance-band-maximum (VBM) and conduction-band-minimum (CBM) states are derived mainly from 5p orbital of I{sub 1} atom and 6p orbital of Pb atom, respectively. The spatially separated charge densities of the electrons and holes justify the low recombination rate of the pure iodide perovskite. Chlorine substitution further strengthens the unique position of the I{sub 1} atom, leading to more localized charge density around the I{sub 1} atom and less charge density around the other atoms at the VBM state. The less overlap of charge densities between the VBM and CBM states explains the relatively lower carrier recombination rate of the iodine-chlorine mixed perovskite. Chlorine substitution significantly reduces the effective mass at a direction perpendicular to the Pb-Cl bond and organic axis, enhancing the carrier transport property of the mixed perovskite in this direction.

  1. Spatially separated charge densities of electrons and holes in organic-inorganic halide perovskites

    Science.gov (United States)

    Li, Dan; Liang, Chunjun; Zhang, Huimin; Zhang, Chunxiu; You, Fangtian; He, Zhiqun

    2015-02-01

    Solution-processable methylammonium lead trihalide perovskites exhibit remarkable high-absorption and low-loss properties for solar energy conversion. Calculation from density functional theory indicates the presence of non-equivalent halogen atoms in the unit cell because of the specific orientation of the organic cation. Considering the orientation as an example, I1, one of the halogen atoms, differs from the other iodine atoms (I2 and I3) in terms of its interaction with the organic cation. The valance-band-maximum (VBM) and conduction-band-minimum (CBM) states are derived mainly from 5p orbital of I1 atom and 6p orbital of Pb atom, respectively. The spatially separated charge densities of the electrons and holes justify the low recombination rate of the pure iodide perovskite. Chlorine substitution further strengthens the unique position of the I1 atom, leading to more localized charge density around the I1 atom and less charge density around the other atoms at the VBM state. The less overlap of charge densities between the VBM and CBM states explains the relatively lower carrier recombination rate of the iodine-chlorine mixed perovskite. Chlorine substitution significantly reduces the effective mass at a direction perpendicular to the Pb-Cl bond and organic axis, enhancing the carrier transport property of the mixed perovskite in this direction.

  2. Thermodynamic, energy efficiency, and power density analysis of reverse electrodialysis power generation with natural salinity gradients.

    Science.gov (United States)

    Yip, Ngai Yin; Vermaas, David A; Nijmeijer, Kitty; Elimelech, Menachem

    2014-05-06

    Reverse electrodialysis (RED) can harness the Gibbs free energy of mixing when fresh river water flows into the sea for sustainable power generation. In this study, we carry out a thermodynamic and energy efficiency analysis of RED power generation, and assess the membrane power density. First, we present a reversible thermodynamic model for RED and verify that the theoretical maximum extractable work in a reversible RED process is identical to the Gibbs free energy of mixing. Work extraction in an irreversible process with maximized power density using a constant-resistance load is then examined to assess the energy conversion efficiency and power density. With equal volumes of seawater and river water, energy conversion efficiency of ∼ 33-44% can be obtained in RED, while the rest is lost through dissipation in the internal resistance of the ion-exchange membrane stack. We show that imperfections in the selectivity of typical ion exchange membranes (namely, co-ion transport, osmosis, and electro-osmosis) can detrimentally lower efficiency by up to 26%, with co-ion leakage being the dominant effect. Further inspection of the power density profile during RED revealed inherent ineffectiveness toward the end of the process. By judicious early discontinuation of the controlled mixing process, the overall power density performance can be considerably enhanced by up to 7-fold, without significant compromise to the energy efficiency. Additionally, membrane resistance was found to be an important factor in determining the power densities attainable. Lastly, the performance of an RED stack was examined for different membrane conductivities and intermembrane distances simulating high performance membranes and stack design. By thoughtful selection of the operating parameters, an efficiency of ∼ 37% and an overall gross power density of 3.5 W/m(2) represent the maximum performance that can potentially be achieved in a seawater-river water RED system with low

  3. Fractional-charge and fractional-spin errors in range-separated density-functional theory

    CERN Document Server

    Mussard, Bastien

    2016-01-01

    We investigate fractional-charge and fractional-spin errors in range-separated density-functional theory. Specifically, we consider the range-separated hybrid (RSH) method which combines long-range Hartree-Fock (HF) exchange with a short-range semilocal exchange-correlation density functional, and the RSH+MP2 method which adds long-range second-order M{{\\o}}ller-Plesset (MP2) correlation. Results on atoms and molecules show that the fractional-charge errors obtained in RSH are much smaller than in the standard Kohn-Sham (KS) scheme applied with semilocal or hybrid approximations, and also generally smaller than in the standard HF method. The RSH+MP2 method tends to have smaller fractional-charge errors than standard MP2 for the most diffuse systems, but larger fractional-charge errors for the more compact systems. Even though the individual contributions to the fractional-spin errors in the H atom coming from the short-range exchange and correlation density-functional approximations are smaller than the corre...

  4. Maternal separation altered behavior and neuronal spine density without influencing amphetamine sensitization.

    Science.gov (United States)

    Muhammad, Arif; Kolb, Bryan

    2011-09-30

    We studied the long-term influence of maternal separation (MS) on periadolescent behavior, adult amphetamine (AMPH) sensitization, and structural plasticity in the corticolimbic regions in rats. Male and female pups, separated daily for 3h from the dam during postnatal day 3-21, were tested for periadolescent exploratory, emotional, cognitive, and social behaviors. The development and persistence of drug-induced behavioral sensitization were tested by repeated AMPH administration and a challenge, respectively. The spine density was examined in the nucleus accumbens (NAc), the medial prefrontal cortex (mPFC), and the orbital frontal cortex (OFC) from Golgi-Cox stained neurons. The results showed that MS enhanced anxiety-like behavior in males. MS abolished the sex difference in playful attacks observed in controls with resultant feminization of male play behavior. Furthermore, the probability of complete rotation defense to face an attack was decreased in females. AMPH administration resulted in the development of behavioral sensitization that persisted at least for two weeks. Sensitization was not influenced by MS. MS increased the spine density in the NAc, the mPFC, and the OFC. Repeated AMPH administration increased the spine density in the NAc and the mPFC, and decreased it in the OFC. MS blocked the drug-induced alteration in these regions. In sum, MS during development influenced periadolescent behavior in males, and structurally reorganized cortical and subcortical brain regions without affecting AMPH-induced behavioral sensitization.

  5. Up-Hill Diffusion Creating Density Gradient - What is the Proper Entropy?

    CERN Document Server

    Sato, Naoki

    2016-01-01

    It is always some constraint that yields any nontrivial structure from statistical averages. As epitomized by the Boltzmann distribution, the energy conservation is often the principal constraint acting on mechanical systems. Here, we investigate a different type: the topological constraint imposed on `space'. Such constraint emerges from the null space of the Poisson operator linking energy gradient to phase space velocity, and appears as an adiabatic invariant altering the preserved phase space volume at the core of statistical mechanics. The correct measure of entropy, built on the distorted invariant measure, behaves consistently with the second law of thermodynamics. The opposite behavior (decreasing entropy and negative entropy production) arises in arbitrary coordinates. An ensamble of rotating rigid bodies is worked out. The theory is then applied to up-hill diffusion in a magnetosphere.

  6. A process study of the interaction of tidal currents, tidal mixing and density gradients in a region of freshwater influence

    Science.gov (United States)

    Xing, Jiuxing; Chen, Shengli

    2017-08-01

    A three dimensional unstructured grid model of the west coast of Britain is used to study the process of the interaction of tidal currents, tidal mixing and density gradient in the Liverpool Bay region. Calculations with M2 tidal forcing and omitting freshwater discharge show that tidal currents in the region are strong (of order 1 ms- 1), with tidal current ellipses essentially rectilinear in the surface and bottom. In the absence of tidal forcing, the freshwater is confined to a thin surface layer. With the inclusion of tidal mixing the surface layer thickens, and in the shallow water area mixed layer occupies the whole water depth. This has a significant effect of reducing its lateral spread. A detailed study of time series of velocity, salinity and turbulence reveals that at flood tide, more saline water is advected into the coastal region and rapid vertical mixing occurs, whereas at ebb tide, fresher water is advected over more saline water. The induced strong pycnocline uncouples surface and bottom layers leading to more circular tidal ellipses which rotate in opposite directions in the vertical, as found in observations. The three dimensional nature of the model reveals that this process involves both horizontal and vertical density gradients, and shows significant horizontal variability in the Liverpool Bay region.

  7. Interrelationships between seminal parameters and sperm nuclear DNA damage before and after density gradient centrifugation: implications for assisted conception.

    Science.gov (United States)

    Tomlinson, M J; Moffatt, O; Manicardi, G C; Bizzaro, D; Afnan, M; Sakkas, D

    2001-10-01

    With an increase in the use of assisted reproduction technologies the requirements of the diagnostic semen analysis are constantly changing. Spermatozoa from patients undergoing IVF were analysed by examining the conventional semen parameters and DNA/chromatin integrity, using in-situ nick translation (NT) and the Chromomycin A(3) fluorochrome, which indirectly demonstrates a decreased presence of protamine. Samples were examined before and after preparation using discontinuous density gradient centrifugation. Density gradient centrifugation enriched samples by improving the percentage of morphologically normal forms by 138% and sperm nuclear integrity by 450%. Sperm nuclear integrity as assessed by in-situ nick translation (NT) demonstrated a very clear relationship with sperm concentration, motility and morphology. Morphology correlated with fertilization rates of patients undergoing IVF, while NT values of the spermatozoa post-preparation were significantly lower in pregnant patients. We have demonstrated that along with the classical semen parameters, the assessment of nuclear integrity improves the characterization of the semen sample and may be used as a tool for allocating patients to specific assisted reproduction treatments.

  8. Multi-Innovation Stochastic Gradient Identification Algorithm for Hammerstein Controlled Autoregressive Autoregressive Systems Based on the Key Term Separation Principle and on the Model Decomposition

    Directory of Open Access Journals (Sweden)

    Huiyi Hu

    2013-01-01

    speed of the stochastic gradient algorithm. The key term separation principle can simplify the identification model of the input nonlinear system, and the decomposition technique can enhance computational efficiencies of identification algorithms. The simulation results show that the proposed algorithm is effective for estimating the parameters of IN-CARAR systems.

  9. CATALYTIC COMBUSTION OF PROPANE IN A MEMBRANE REACTOR WITH SEPARATE FEED OF REACTANTS .2. OPERATION IN PRESENCE OF TRANS-MEMBRANE PRESSURE-GRADIENTS

    NARCIS (Netherlands)

    SARACCO, G; VELDSINK, JW; VERSTEEG, GF; VANSWAAIJ, WPM

    This is the second communication of a series dealing with an experimental and modelling study on propane catalytic combustion in a membrane reactor with separate feed of reactants. In paper I the behaviour of the reactor in the absence of trans-membrane pressure gradients was presented and

  10. Catalytic combustion of propane in a membrane reactor with separate feed of reactants—II. Operation in presence of trans-membrane pressure gradients

    NARCIS (Netherlands)

    Saracco, Guido; Veldsink, Jan Willem; Versteeg, Geert F.; Swaaij, Wim P.M. van

    1995-01-01

    This is the second communication of a series dealing with an experimental and modelling study on propane catalytic combustion in a membrane reactor with separate feed of reactants. In paper I the behaviour of the reactor in the absence of trans-membrane pressure gradients was presented and

  11. Catalytic combustion of propane in a membrane reactor with separate feed of reactants II. Operation in presence of transmembrane pressure gradients

    NARCIS (Netherlands)

    Saracco, Guido; Veldsink, J.W.; Veldsink, Jan Willem; Versteeg, Geert; van Swaaij, Willibrordus Petrus Maria

    1995-01-01

    This is the second communication of a series dealing with an experimental and modelling study on propane catalytic combustion in a membrane reactor with separate feed of reactants. In paper I the behaviour of the reactor in the absence of trans-membrane pressure gradients was presented and

  12. Damping-Growth Transition for Ion-Acoustic Waves in a Density Gradient

    DEFF Research Database (Denmark)

    D'Angelo, N.; Michelsen, Poul; Pécseli, Hans

    1975-01-01

    A damping-growth transition for ion-acoustic waves propagating in a nonuniform plasma (e-folding length for the density ln) is observed at a wavelength λ∼2πln. This result supports calculations performed in connection with the problem of heating of the solar corona by ion-acoustic waves generated...

  13. Vacuum energy density fluctuations in Minkowski and Casimir states via smeared quantum fields and point separation

    Science.gov (United States)

    Phillips, Nicholas G.; Hu, B. L.

    2000-10-01

    We present calculations of the variance of fluctuations and of the mean of the energy momentum tensor of a massless scalar field for the Minkowski and Casimir vacua as a function of an intrinsic scale defined by a smeared field or by point separation. We point out that, contrary to prior claims, the ratio of variance to mean-squared being of the order unity is not necessarily a good criterion for measuring the invalidity of semiclassical gravity. For the Casimir topology we obtain expressions for the variance to mean-squared ratio as a function of the intrinsic scale (defined by a smeared field) compared to the extrinsic scale (defined by the separation of the plates, or the periodicity of space). Our results make it possible to identify the spatial extent where negative energy density prevails which could be useful for studying quantum field effects in worm holes and baby universes, and for examining the design feasibility of real-life ``time machines.'' For the Minkowski vacuum we find that the ratio of the variance to the mean-squared, calculated from the coincidence limit, is identical to the value of the Casimir case at the same limit for spatial point separation while identical to the value of a hot flat space result with a temporal point separation. We analyze the origin of divergences in the fluctuations of the energy density and discuss choices in formulating a procedure for their removal, thus raising new questions about the uniqueness and even the very meaning of regularization of the energy momentum tensor for quantum fields in curved or even flat spacetimes when spacetime is viewed as having an extended structure.

  14. Multi-configuration time-dependent density-functional theory based on range separation

    DEFF Research Database (Denmark)

    Fromager, E.; Knecht, S.; Jensen, Hans Jørgen Aagaard

    2013-01-01

    Multi-configuration range-separated density-functional theory is extended to the time-dependent regime. An exact variational formulation is derived. The approximation, which consists in combining a long-range Multi-Configuration- Self-Consistent Field (MCSCF) treatment with an adiabatic short...... in Be and the 11u+ state in the stretched H molecule are improved, although the latter is still significantly underestimated. Exploratory TD-MC-srDFT/GGA calculations for ferrocene yield in general excitation energies at least as good as TD-DFT using the Coulomb attenuated method based on the three-parameter Becke...

  15. Density functional theory of gas-liquid phase separation in dilute binary mixtures

    Science.gov (United States)

    Okamoto, Ryuichi; Onuki, Akira

    2016-06-01

    We examine statics and dynamics of phase-separated states of dilute binary mixtures using density functional theory. In our systems, the difference of the solvation chemical potential between liquid and gas Δ {μ\\text{s}} (the Gibbs energy of transfer) is considerably larger than the thermal energy {{k}\\text{B}}T for each solute particle and the attractive interaction among the solute particles is weaker than that among the solvent particles. In these conditions, the saturated vapor pressure increases by {{k}\\text{B}}Tn2\\ell\\exp ≤ft(Δ {μ\\text{s}}/{{k}\\text{B}}T\\right) , where n2\\ell is the solute density added in liquid. For \\exp ≤ft(Δ {μ\\text{s}}/{{k}\\text{B}}T\\right)\\gg 1 , phase separation is induced at low solute densities in liquid and the new phase remains in gaseous states, even when the liquid pressure is outside the coexistence curve of the solvent. This explains the widely observed formation of stable nanobubbles in ambient water with a dissolved gas. We calculate the density and stress profiles across planar and spherical interfaces, where the surface tension decreases with increasing interfacial solute adsorption. We realize stable solute-rich bubbles with radius about 30 nm, which minimize the free energy functional. We then study dynamics around such a bubble after a decompression of the surrounding liquid, where the bubble undergoes a damped oscillation. In addition, we present some exact and approximate expressions for the surface tension and the interfacial stress tensor.

  16. Reconciliation of size-density bivariate distributions over a separating node

    Institute of Scientific and Technical Information of China (English)

    Bidarahalli Venkoba Rao; Vivek Ganvir; Sirigeri Jois Gopalakrishna

    2008-01-01

    Data reconciliation considers the restoration of mass balance among the noise prone measured data by way of component adjustments for the various particle size or particle density classes or assays over the separating node. In this paper, the method of Lagrange multipliers has been extended to balance bivariate feed and product size-density distributions of coal particles split from a settling column. The settling suspension in the column was split into two product fractions at 40% height from the bottom after a minute settling of homogenized suspension at start. Reconciliation of data assists to estimate solid flow split of particles to the settled stream as well as helps to calculate the profiles of partition curves of the marginal particle size or particle density distributions. In general, Lagrange multiplier method with uniform weighting of its components may not guarantee a smooth partition surface and thus the reconciled data needs further refinement to establish the nature of the surface. In order to overcome this difficulty, a simple alternative method of reconciling bivariate size-density data using partition surface concept is explored in this paper.

  17. Where Does the Density Localize? Convergent Behavior for Global Hybrids, Range Separation, and DFT+U

    CERN Document Server

    Gani, Terry Z H

    2016-01-01

    Approximate density functional theory (DFT) suffers from many-electron self- interaction error, otherwise known as delocalization error, that may be diagnosed and then corrected through elimination of the deviation from exact piecewise linear behavior between integer electron numbers. Although paths to correction of energetic delocalization error are well- established, the impact of these corrections on the electron density is less well-studied. Here, we compare the effect on density delocalization of DFT+U, global hybrid tuning, and range- separated hybrid tuning on a diverse test set of 32 transition metal complexes and observe the three methods to have qualitatively equivalent effects on the ground state density. Regardless of valence orbital diffuseness (i.e., from 2p to 5p), ligand electronegativity (i.e., from Al to O), basis set (i.e., plane wave versus localized basis set), metal (i.e., Ti, Fe, Ni) and spin state, or tuning method, we consistently observe substantial charge loss at the metal and gain ...

  18. Numerical Studies of Electron Acceleration Behind Self-Modulating Proton Beam in Plasma with a Density Gradient

    CERN Document Server

    Petrenko, Alexey; Sosedkin, Alexander

    2016-01-01

    Presently available high-energy proton beams in circular accelerators carry enough momentum to accelerate high-intensity electron and positron beams to the TeV energy scale over several hundred meters of the plasma with a density of about 1e15 1/cm^3. However, the plasma wavelength at this density is 100-1000 times shorter than the typical longitudinal size of the high-energy proton beam. Therefore the self-modulation instability (SMI) of a long (~10 cm) proton beam in the plasma should be used to create the train of micro-bunches which would then drive the plasma wake resonantly. Changing the plasma density profile offers a simple way to control the development of the SMI and the acceleration of particles during this process. We present simulations of the possible use of a plasma density gradient as a way to control the acceleration of the electron beam during the development of the SMI of a 400 GeV proton beam in a 10 m long plasma. This work is done in the context of the AWAKE project --- the proof-of-prin...

  19. A Study on Effects on Current Density Distribution, Inductance Gradient, and Contact Force by Variation of Armature and Rail Structure

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Bok Ki [Kwangwoon University, Seoul (Korea)

    2001-02-01

    The distribution of current in the conductors influenced by armature geometry and velocity is an important parameter for determining performance of an electromagnetic launcher(EML). The electric current in the early launching stage tends to flow on the outer surface of the conductors, resulting in very high local electric current density. However, the tendency for current to concentrate on the surface is driven by the velocity skin effect later in launching stage. The high current density produces high local heating and, consequently, increases armature wear which causes several defects on EML system. This paper investigates the effect of rail/armature geometry on current density distribution, launcher inductance gradient (L'), and contact force. Three geometrical parameters are used to characterize the railgun system. These are the ratio of contact length, relative position of contact leading edge to root trailing edge, and the ratio of rail overhang to the rail height. The distribution of current density, L',contact force between various configurations of the armature and the rail are analyzed and compared by using the EMAP3D program. (author). 6 refs., 9 figs., 3 tabs.

  20. Mapping the genome of meta-generalized gradient approximation density functionals: The search for B97M-V

    Energy Technology Data Exchange (ETDEWEB)

    Mardirossian, Narbe [Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720 (United States); Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu [Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720 (United States); Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2015-02-21

    A meta-generalized gradient approximation density functional paired with the VV10 nonlocal correlation functional is presented. The functional form is selected from more than 10{sup 10} choices carved out of a functional space of almost 10{sup 40} possibilities. Raw data come from training a vast number of candidate functional forms on a comprehensive training set of 1095 data points and testing the resulting fits on a comprehensive primary test set of 1153 data points. Functional forms are ranked based on their ability to reproduce the data in both the training and primary test sets with minimum empiricism, and filtered based on a set of physical constraints and an often-overlooked condition of satisfactory numerical precision with medium-sized integration grids. The resulting optimal functional form has 4 linear exchange parameters, 4 linear same-spin correlation parameters, and 4 linear opposite-spin correlation parameters, for a total of 12 fitted parameters. The final density functional, B97M-V, is further assessed on a secondary test set of 212 data points, applied to several large systems including the coronene dimer and water clusters, tested for the accurate prediction of intramolecular and intermolecular geometries, verified to have a readily attainable basis set limit, and checked for grid sensitivity. Compared to existing density functionals, B97M-V is remarkably accurate for non-bonded interactions and very satisfactory for thermochemical quantities such as atomization energies, but inherits the demonstrable limitations of existing local density functionals for barrier heights.

  1. Numerical studies of electron acceleration behind self-modulating proton beam in plasma with a density gradient

    Science.gov (United States)

    Petrenko, A.; Lotov, K.; Sosedkin, A.

    2016-09-01

    Presently available high-energy proton beams in circular accelerators carry enough momentum to accelerate high-intensity electron and positron beams to the TeV energy scale over several hundred meters of the plasma with a density of about 1015cm-3. However, the plasma wavelength at this density is 100-1000 times shorter than the typical longitudinal size of the high-energy proton beam. Therefore the self-modulation instability (SMI) of a long (~10 cm) proton beam in the plasma should be used to create the train of micro-bunches which would then drive the plasma wake resonantly. Changing the plasma density profile offers a simple way to control the development of the SMI and the acceleration of particles during this process. We present simulations of the possible use of a plasma density gradient as a way to control the acceleration of the electron beam during the development of the SMI of a 400 GeV proton beam in a 10 m long plasma. This work is done in the context of the AWAKE project-the proof-of-principle experiment on proton driven plasma wakefield acceleration at CERN.

  2. Efficient enrichment of hepatic cancer stem-like cells from a primary rat HCC model via a density gradient centrifugation-centered method.

    Directory of Open Access Journals (Sweden)

    Wei-hui Liu

    Full Text Available BACKGROUND: Because few definitive markers are available for hepatic cancer stem cells (HCSCs, based on physical rather than immunochemical properties, we applied a novel method to enrich HCSCs. METHODOLOGY: After hepatic tumor cells (HTCs were first isolated from diethylinitrosamine-induced F344 rat HCC model using percoll discontinuous gradient centrifugation (PDGC and purified via differential trypsinization and differential attachment (DTDA, they were separated into four fractions using percoll continuous gradient centrifugation (PCGC and sequentially designated as fractions I-IV (FI-IV. Morphological characteristics, mRNA and protein levels of stem cell markers, proliferative abilities, induced differentiation, in vitro migratory capacities, in vitro chemo-resistant capacities, and in vivo malignant capacities were determined for the cells of each fraction. FINDINGS: As the density of cells increased, 22.18%, 11.62%, 4.73% and 61.47% of primary cultured HTCs were segregated in FI-FIV, respectively. The cells from FIII (density between 1.041 and 1.062 g/ml displayed a higher nuclear-cytoplasmic ratio and fewer organelles and expressed higher levels of stem cell markers (AFP, EpCAM and CD133 than cells from other fractions (P<0.01. Additionally, in vitro, the cells from FIII showed a greater capacity to self-renew, differentiate into mature HTCs, transit across membranes, close scratches, and carry resistance to chemotherapy than did cells from any other fraction; in vivo, injection of only 1×10(4 cells from FIII could generate tumors not only in subcutaneous tissue but also in the livers of nude mice. CONCLUSIONS: Through our novel method, HCSC-like cells were successfully enriched in FIII. This study will greatly contribute to two important areas of biological interest: CSC isolation and HCC therapy.

  3. Highly durable superhydrophobic coatings with gradient density by movable spray method

    Science.gov (United States)

    Tenjimbayashi, Mizuki; Shiratori, Seimei

    2014-09-01

    Superhydrophobic surface is expected to be applied in anti-fouling, anti-icing, and anti-bacterial. However, practical use is interrupted by low mechanical strength, time-consuming process, and limited coating substrate. Here highly durable superhydrophobic coatings were prepared by simple and novel spraying method, which sprays with changing the "spray distance between substrate and spray" (SD), named "movable spray method." We prepared the solution that changes wettability and durability with spraying distance by mixing SiO2 nanoparticles and ethyl alpha cyanoacrylate polymer (EAC). Then, we evaluated the chemical components and surface morphologies of each spraying distance coatings (0 ˜ 50 cm) by XPS, SEM, and laser scanning microscope. It revealed that surface roughness and SiO2/EAC ratio increased as the SD increases. Thus, durable superhydrophobic coatings were designed by spraying with increasing SD gradually. Glow discharge-optical emission spectrometry analysis revealed that designed coatings showed the gradual increase of SiO2/EAC ratio. As a result, coatings prepared on glass, wood, or aluminum substrates maintained their superhydrophobicity up to the abrasion at 40 kPa. This movable spray method is simple coating by the wet process and prepares robust hydrophobic coating on complex shape and large area substrates. The gradient functional surface was found to have mechanical durability and superhydrophobicity, and wide area applications will be expected.

  4. Low-density, polymer foams as structural models for phase-separation in polymer solutions

    Energy Technology Data Exchange (ETDEWEB)

    Beaucage, G. [Univ. of Cincinnati, OH (United States); Lagasse, R.R.; Aubert, J.H. [Sandia National Labs., Albuquerque, NM (United States)] [and others

    1995-12-31

    Low density polymer foams are produced through nano-scale phase separation of 5 to 15% solutions yielding gels. The gels are solvent exchanged and dried by supercritical extraction. We have found that the morphology of the phase separated gel, the intermediate solvent exchanged gels and the final foams are essentially identical over a wide range of size. Through the combination of several scattering techniques covering many decades of size we can distinguish structural levels in these low-density foams. The combined scattering data spans sizes ranging from 10{mu}m to 1{Angstrom}. A recently developed global fitting approach can describe the multiple levels of structure observed in these complex materials. Several morphological classes of foams are observed. A perplexing feature in the scattering patterns from all of the foams is a 3-dimensional structure with a radius of gyration from 40 to 100{Angstrom}. By variation of the polymer molecular-weight, scattering data supports a model describing this nano-scale structure as partially isolated, collapsed polymer coils. This model indicates that collapsed base structural unit in these morphologies.

  5. pH-gradient ion-exchange chromatography: An analytical tool for design and optimization of protein separations

    NARCIS (Netherlands)

    Ahamed, T.; Nfor, B.; Verhaert, P.; Deden, van G.; Wielen, van der L.

    2007-01-01

    This work demonstrates that a highly linear, controllable and wide-ranged pH-gradient can be generated through an ion-exchange chromatography (IEC) column. Such a pH-gradient anion-exchange chromatography was evaluated with 17 model proteins and found that acidic (pI <6) and basic (pI > 8) pro

  6. Simulating One-Photon Absorption and Resonance Raman Scattering Spectra Using Analytical Excited State Energy Gradients within Time-Dependent Density Functional Theory

    Energy Technology Data Exchange (ETDEWEB)

    Silverstein, Daniel W.; Govind, Niranjan; van Dam, Hubertus J. J.; Jensen, Lasse

    2013-12-10

    A parallel implementation of analytical time-dependent density functional theory gradients is presented for the quantum chemistry program NWChem. The implementation is based on the Lagrangian approach developed by Furche and Ahlrichs. To validate our implementation, we first calculate the Stokes shifts for a range of organic dye molecules using a diverse set of exchange-correlation functionals (traditional density functionals, global hybrids, and range-separated hybrids) followed by simulations of the one-photon absorption and resonance Raman scattering spectrum of the phenoxyl radical, the well-studied dye molecule rhodamine 6G, and a molecular host–guest complex (TTFcCBPQT4+). The study of organic dye molecules illustrates that B3LYP and CAM-B3LYP generally give the best agreement with experimentally determined Stokes shifts unless the excited state is a charge transfer state. Absorption, resonance Raman, and fluorescence simulations for the phenoxyl radical indicate that explicit solvation may be required for accurate characterization. For the host–guest complex and rhodamine 6G, it is demonstrated that absorption spectra can be simulated in good agreement with experimental data for most exchange-correlation functionals. Finally, however, because one-photon absorption spectra generally lack well-resolved vibrational features, resonance Raman simulations are necessary to evaluate the accuracy of the exchange-correlation functional for describing a potential energy surface.

  7. Range-separated double-hybrid density-functional theory applied to periodic systems

    CERN Document Server

    Sansone, Giuseppe; Usvyat, Denis; Toulouse, Julien; Sharkas, Kamal; Maschio, Lorenzo

    2015-01-01

    Quantum chemistry methods exploiting density-functional approximations for short-range electron-electron interactions and second-order M{{\\o}}ller-Plesset (MP2) perturbation theory for long-range electron-electron interactions have been implemented for periodic systems using Gaussian-type basis functions and the local correlation framework. The performance of these range-separated double hybrids has been benchmarked on a significant set of systems including rare-gas, molecular, ionic, and covalent crystals. The use of spin-component-scaled MP2 for the long-range part has been tested as well. The results show that the value of $\\mu$ = 0.5 bohr^{--1} for the range-separation parameter usually used for molecular systems is also a reasonable choice for solids. Overall, these range-separated double hybrids provide a good accuracy for binding energies using basis sets of moderate sizes such as cc-pVDZ and aug-cc-pVDZ.

  8. Range-separated double-hybrid density-functional theory applied to periodic systems

    Energy Technology Data Exchange (ETDEWEB)

    Sansone, Giuseppe; Civalleri, Bartolomeo; Maschio, Lorenzo, E-mail: lorenzo.maschio@unito.it [Dipartimento di Chimica and NIS (Nanostructured Interfaces and Surfaces) Centre, Università di Torino, via Giuria 5, I-10125 Torino (Italy); Usvyat, Denis [Institute for Physical and Theoretical Chemistry, Universität Regensburg, Universitätsstrasse 31, D-93040 Regensburg (Germany); Toulouse, Julien [Sorbonne Universités, UPMC Univ. Paris 06, UMR 7616, Laboratoire de Chimie Théorique, F-75005 Paris (France); CNRS, UMR 7616, Laboratoire de Chimie Théorique, F-75005 Paris (France); Sharkas, Kamal [Department of Chemistry, State University of New York at Buffalo, Buffalo, New York 14260-3000 (United States)

    2015-09-14

    Quantum chemistry methods exploiting density-functional approximations for short-range electron-electron interactions and second-order Møller-Plesset (MP2) perturbation theory for long-range electron-electron interactions have been implemented for periodic systems using Gaussian-type basis functions and the local correlation framework. The performance of these range-separated double hybrids has been benchmarked on a significant set of systems including rare-gas, molecular, ionic, and covalent crystals. The use of spin-component-scaled MP2 for the long-range part has been tested as well. The results show that the value of μ = 0.5 bohr{sup −1} for the range-separation parameter usually used for molecular systems is also a reasonable choice for solids. Overall, these range-separated double hybrids provide a good accuracy for binding energies using basis sets of moderate sizes such as cc-pVDZ and aug-cc-pVDZ.

  9. Mapping axonal density and average diameter using non-monotonic time-dependent gradient-echo MRI

    Science.gov (United States)

    Nunes, Daniel; Cruz, Tomás L.; Jespersen, Sune N.; Shemesh, Noam

    2017-04-01

    White Matter (WM) microstructures, such as axonal density and average diameter, are crucial to the normal function of the Central Nervous System (CNS) as they are closely related with axonal conduction velocities. Conversely, disruptions of these microstructural features may result in severe neurological deficits, suggesting that their noninvasive mapping could be an important step towards diagnosing and following pathophysiology. Whereas diffusion based MRI methods have been proposed to map these features, they typically entail the application of powerful gradients, which are rarely available in the clinic, or extremely long acquisition schemes to extract information from parameter-intensive models. In this study, we suggest that simple and time-efficient multi-gradient-echo (MGE) MRI can be used to extract the axon density from susceptibility-driven non-monotonic decay in the time-dependent signal. We show, both theoretically and with simulations, that a non-monotonic signal decay will occur for multi-compartmental microstructures - such as axons and extra-axonal spaces, which were here used as a simple model for the microstructure - and that, for axons parallel to the main magnetic field, the axonal density can be extracted. We then experimentally demonstrate in ex-vivo rat spinal cords that its different tracts - characterized by different microstructures - can be clearly contrasted using the MGE-derived maps. When the quantitative results are compared against ground-truth histology, they reflect the axonal fraction (though with a bias, as evident from Bland-Altman analysis). As well, the extra-axonal fraction can be estimated. The results suggest that our model is oversimplified, yet at the same time evidencing a potential and usefulness of the approach to map underlying microstructures using a simple and time-efficient MRI sequence. We further show that a simple general-linear-model can predict the average axonal diameters from the four model parameters, and

  10. Implementation of gradients of organic solvent in micellar liquid chromatography using DryLab(®): separation of basic compounds in urine samples.

    Science.gov (United States)

    Rodenas-Montano, J; Ortiz-Bolsico, C; Ruiz-Angel, M J; García-Alvarez-Coque, M C

    2014-05-30

    In micellar liquid chromatography (MLC), chromatographic peaks are more evenly distributed compared to conventional reversed-phase liquid chromatography (RPLC). This is the reason that most procedures are implemented using isocratic elution. However, gradient elution may be still useful in MLC to analyse mixtures of compounds within a wide range of polarities, decreasing the analysis time. Also, it benefits the determination of moderately to low polar compounds in physiological fluids performing direct injection: an initial micellar eluent with a low organic solvent content, or a pure micellar (without surfactant) solution, will provide better protection of the column against the proteins in the physiological fluid, and once the proteins are swept away, the elution strength can be increased using a positive linear gradient of organic solvent to reduce the analysis time. This work aims to encourage analysts to implement gradients of organic solvent in MLC, which is rather simple and allows rapid analytical procedures without pre-treatment or the need of re-equilibration. The implementation of gradient elution is illustrated through the separation of eight basic compounds (β-blockers) in urine samples directly injected into the chromatograph, the most hydrophobic showing large retention in both conventional RPLC and MLC. The use of the DryLab(®) software to optimise gradients of organic solvent with eluents containing a fixed amount of surfactant above the critical micellar concentration is shown to provide satisfactory predictions, and can facilitate greatly the implementation of gradient protocols.

  11. Proton acceleration using doped Argon plasma density gradient interacting with relativistic CO2 -laser pulse

    Science.gov (United States)

    Sahai, Aakash; Ettlinger, Oliver; Hicks, George; Ditter, Emma-Jane; Najmudin, Zulfikar

    2016-10-01

    We investigate proton and light-ion acceleration driven by the interaction of relativistic CO2 laser pulses with overdense Argon or other heavy-ion gas targets doped with lighter-ion species. Optically shaping the gas targets allows tuning of the pre-plasma scale-length from a few to several laser wavelengths, allowing the laser to efficiently drive a propagating snowplow through the bunching in the electron density. Preliminary PIC-based modeling shows that the lighter-ion species is accelerated even without any significant motion of the heavier ions which is a signature of the Relativistically Induced Transparency Acceleration mechanism. Some outlines of possible experiments at the TW CO2 laser at the Accelerator Test Facility at Brookhaven National Laboratory are presented.

  12. Isolation of bacterial plasmids by density gradient centrifugation in cesium trifluoroacetate (CsTFA) without the use of ethidium bromide.

    Science.gov (United States)

    Andersson, K; Hjorth, R

    1985-01-01

    Plasmids extracted from bacterial cells by alkaline extraction can easily be isolated from linear DNA by isopycnic centrifugation in CsTFA. This is a fast and simple method which circumvents the use of the intercalating dye, ethidium bromide, and consequently the problems associated with its removal. The buoyant densities for covalently closed circular DNA and linear DNA in CsTFA are 1.60 g/ml and 1.65 g/ml, respectively. The isolation is achieved regardless of plasmid size and can be accomplished at temperatures of between 4 and 30 degrees C. Plasmid DNA isolated in gradients of CsTFA are of a high purity and have been found to be intact when cleaved with restriction enzymes and ligated with T4 DNA ligase.

  13. High-performance chromatofocusing using linear and concave pH gradients formed with simple buffer mixtures. II. Separation of proteins.

    Science.gov (United States)

    Kang, X; Bates, R C; Frey, D D

    2000-08-18

    The separation of proteins using high-performance chromatofocusing with linear or concave pH gradients formed using simple mixtures of buffering species in the elution buffer is investigated experimentally. The separation achieved is comparable to that using polyampholyte elution buffers with these types of systems. More specifically, protein band widths at one half of the band height in the range between 0.1 and 0.025 pH units were observed, and good resolution was achieved of protein variants differing by a single amino acid residue in separation times of 30 min or less. An especially useful elution buffer is investigated that contains only four buffering species and that produces a linear pH gradient in the range between pH 9.5 and 6.0 when used together with a particular high-performance column packing made specifically for chromatofocusing. This elution buffer and column packing combination is evaluated by using it for the chromatofocusing of equine myoglobin and human hemoglobin variants. Additional applications are described in which a polyethyleneimine derivatized silica column packing and a pH gradient that is concave in shape are used for the separation of proteins in an E. coli cell lysate.

  14. Isolation of Plasmodium berghei ookinetes in culture using Nycodenz density gradient columns and magnetic isolation

    Directory of Open Access Journals (Sweden)

    Williams Jackie

    2003-11-01

    Full Text Available Abstract Background Large scale in vitro production of the mosquito stages of malaria parasites remains elusive, with only limited success for complete sporogonic development and only one report of development through to infective sporozoites. The initial step in this process is the production, in vitro, of ookinetes from gametocytaemic blood. Methods for isolation of these ookinetes from blood cells have been described; however, in addition to yield often being low, processing time and potential for contamination by erythrocytes remain high. Methods This study compares two procedures for retaining mature ookinetes from blood stage cultures, whilst removing red blood cells and other contaminants prior to further culture of the parasite. The well established method of isolation on Nycodenz cushions is compared with a novel method utilizing the innate magnetic properties of the haem pigment crystals found in the cytoplasm of ookinetes. Results Yield and viability of ookinetes were similar with both isolation methods. However, in our hands magnetic isolation produced a cleaner ookinete preparation much more quickly. Moreover, decreasing the flow rate through the magnetic column could further enhance the yield. Conclusion We recommend the enrichment of an ookinete preparation prior to further culture being performed using the magnetic properties of Plasmodium berghei ookinetes as an alternative to their density. The former technique is faster, removes more erythrocytes, but day-to-day costs are greater.

  15. Non-thermal separation of electronic and structural orders in a persisting charge density wave

    CERN Document Server

    Porer, M; Ménard, J -M; Dachraoui, H; Mouchliadis, L; Perakis, I E; Heinzmann, U; Demsar, J; Rossnagel, K; Huber, R

    2016-01-01

    The simultaneous ordering of different degrees of freedom in complex materials undergoing spontaneous symmetry-breaking transitions often involves intricate couplings that have remained elusive in phenomena as wide ranging as stripe formation, unconventional superconductivity or colossal magnetoresistance. Ultrafast optical, x-ray and electron pulses can elucidate the microscopic interplay between these orders by probing the electronic and lattice dynamics separately, but a simultaneous direct observation of multiple orders on the femtosecond scale has been challenging. Here we show that ultrabroadband terahertz pulses can simultaneously trace the ultrafast evolution of coexisting lattice and electronic orders. For the example of a charge-density-wave (CDW) in 1T-TiSe2, we demonstrate that two components of the CDW order parameter - excitonic correlations and a periodic lattice distortion (PLD) - respond very differently to 12-fs optical excitation. Even when the excitonic order of the CDW is quenched, the PL...

  16. Poly(m-phenylene isophthalamide) separator for improving the heat resistance and power density of lithium-ion batteries

    Science.gov (United States)

    Zhang, Hong; Zhang, Yin; Xu, Tiange; John, Angelin Ebanezar; Li, Yang; Li, Weishan; Zhu, Baoku

    2016-10-01

    A microporous poly(m-phenylene isophthalamide) (PMIA) separator with high safety (high-heat resistance and self extinguishing), high porosity and excellent liquid electrolyte wettability was prepared by the traditional nonsolvent introduced phase separation process. Due to the high-heat resistance of PMIA material, the as-prepared separator exhibited a negligible thermal shrank ratio at 160 °C for 1 h. Meanwhile, benefiting from its high porosity and excellent wettability in liquid electrolyte, the liquid electrolyte uptake and the ionic conductivity of the separator were higher than that of the commercial PP-based separators. Furthermore, the cell assembled with this separator showed better cycling performance and superior rate capacity compared to those with PP-based separators. These results suggested that the PMIA separator is very attractive for high-heat resistance and high-power density lithium-ion batteries.

  17. Vacuum Energy Density Fluctuations in Minkowski and Casimir States via Smeared Quantum Fields and Point Separation

    CERN Document Server

    Phillips, N G; Phillips, Nicholas. G.

    2000-01-01

    We present calculations of the variance of fluctuations and of the mean of the energy momentum tensor of a massless scalar field for the Minkowski and Casimir vacua as a function of an intrinsic scale defined by a smeared field or by point separation. We point out that contrary to prior claims, the ratio of variance to mean-squared being of the order unity is not necessarily a good criterion for measuring the invalidity of semiclassical gravity. For the Casimir topology we obtain expressions for the variance to mean-squared ratio as a function of the intrinsic scale (defined by a smeared field) compared to the extrinsic scale (defined by the separation of the plates, or the periodicity of space). Our results make it possible to identify the spatial extent where negative energy density prevails which could be useful for studying quantum field effects in worm holes and baby universe, and for examining the design feasibility of real-life `time-machines'. For the Minkowski vacuum we find that the ratio of the var...

  18. Combining linear interpolation with extrapolation methods in range-separated ensemble density-functional theory

    CERN Document Server

    Senjean, Bruno; Alam, Md Mehboob; Knecht, Stefan; Fromager, Emmanuel

    2015-01-01

    The combination of a recently proposed linear interpolation method (LIM) [Senjean et al., Phys. Rev. A 92, 012518 (2015)], which enables the calculation of weight-independent excitation energies in range-separated ensemble density-functional approximations, with the extrapolation scheme of Savin [J. Chem. Phys. 140, 18A509 (2014)] is presented in this work. It is shown that LIM excitation energies vary quadratically with the inverse of the range-separation parameter mu when the latter is large. As a result, the extrapolation scheme, which is usually applied to long-range interacting energies, can be adapted straightforwardly to LIM. This extrapolated LIM (ELIM) has been tested on a small test set consisting of He, Be, H2 and HeH+. Relatively accurate results have been obtained for the first singlet excitation energies with the typical mu=0.4 value. The improvement of LIM after extrapolation is remarkable, in particular for the doubly-excited 2^1Sigma+g state in the stretched H2 molecule. Three-state ensemble ...

  19. Forest biomass density across large climate gradients in northern South America is related to water availability but not with temperature

    Science.gov (United States)

    Cayuela, Luis; González-Caro, Sebastián; Aldana, Ana M.; Stevenson, Pablo R.; Phillips, Oliver; Cogollo, Álvaro; Peñuela, Maria C.; von Hildebrand, Patricio; Jiménez, Eliana; Melo, Omar; Londoño-Vega, Ana Catalina; Mendoza, Irina; Velásquez, Oswaldo; Fernández, Fernando; Serna, Marcela; Velázquez-Rua, Cesar; Benítez, Doris; Rey-Benayas, José M.

    2017-01-01

    Understanding and predicting the likely response of ecosystems to climate change are crucial challenges for ecology and for conservation biology. Nowhere is this challenge greater than in the tropics as these forests store more than half the total atmospheric carbon stock in their biomass. Biomass is determined by the balance between biomass inputs (i.e., growth) and outputs (mortality). We can expect therefore that conditions that favor high growth rates, such as abundant water supply, warmth, and nutrient-rich soils will tend to correlate with high biomass stocks. Our main objective is to describe the patterns of above ground biomass (AGB) stocks across major tropical forests across climatic gradients in Northwestern South America. We gathered data from 200 plots across the region, at elevations ranging between 0 to 3400 m. We estimated AGB based on allometric equations and values for stem density, basal area, and wood density weighted by basal area at the plot-level. We used two groups of climatic variables, namely mean annual temperature and actual evapotranspiration as surrogates of environmental energy, and annual precipitation, precipitation seasonality, and water availability as surrogates of water availability. We found that AGB is more closely related to water availability variables than to energy variables. In northwest South America, water availability influences carbon stocks principally by determining stand structure, i.e. basal area. When water deficits increase in tropical forests we can expect negative impact on biomass and hence carbon storage. PMID:28301482

  20. Modelling The Effects of Density Gradients and Fluctuations on the Apparent Sizes and Positions of Low Frequency Solar Radio Sources

    Science.gov (United States)

    Alcock, Benjamin Thomas; Kontar, Eduard; Jeffrey, Natasha

    2017-08-01

    Recent high spatial and temporal resolution imaging of fast growth of the Type-III source and movement of the source centroid. In this work, we use a Monte-Carlo ray tracing simulation to model the passage of low frequency (5-240 MHz) radio waves through the solar corona from a point source, considering both isotropic and dipole emission. We model the effects of random density fluctuations and an isotropic density gradient on the transport of the rays, varying the strength of the scattering to observe the effects on images of the source from an observer at 1 AU. Absorption of photons is included, and the effects on the reproduced images and flux curves are observed. The apparent source size and centroid position are tracked through the simulation, and we find a general increase in source size with time, and a variation of centroid position in both directions throughout the simulation. We find that the size of the variation is strongly dependant upon frequency, with lower frequency sources appearing to move further on the disk than higher frequency sources. We also observe the strength of the effects at different viewing angles, finding that the greatest variation occurs closer to the solar limb. Further observational work is required to limit the scattering parameters, in order to allow for comparison with current radio images.

  1. Forest biomass density across large climate gradients in northern South America is related to water availability but not with temperature.

    Science.gov (United States)

    Álvarez-Dávila, Esteban; Cayuela, Luis; González-Caro, Sebastián; Aldana, Ana M; Stevenson, Pablo R; Phillips, Oliver; Cogollo, Álvaro; Peñuela, Maria C; von Hildebrand, Patricio; Jiménez, Eliana; Melo, Omar; Londoño-Vega, Ana Catalina; Mendoza, Irina; Velásquez, Oswaldo; Fernández, Fernando; Serna, Marcela; Velázquez-Rua, Cesar; Benítez, Doris; Rey-Benayas, José M

    2017-01-01

    Understanding and predicting the likely response of ecosystems to climate change are crucial challenges for ecology and for conservation biology. Nowhere is this challenge greater than in the tropics as these forests store more than half the total atmospheric carbon stock in their biomass. Biomass is determined by the balance between biomass inputs (i.e., growth) and outputs (mortality). We can expect therefore that conditions that favor high growth rates, such as abundant water supply, warmth, and nutrient-rich soils will tend to correlate with high biomass stocks. Our main objective is to describe the patterns of above ground biomass (AGB) stocks across major tropical forests across climatic gradients in Northwestern South America. We gathered data from 200 plots across the region, at elevations ranging between 0 to 3400 m. We estimated AGB based on allometric equations and values for stem density, basal area, and wood density weighted by basal area at the plot-level. We used two groups of climatic variables, namely mean annual temperature and actual evapotranspiration as surrogates of environmental energy, and annual precipitation, precipitation seasonality, and water availability as surrogates of water availability. We found that AGB is more closely related to water availability variables than to energy variables. In northwest South America, water availability influences carbon stocks principally by determining stand structure, i.e. basal area. When water deficits increase in tropical forests we can expect negative impact on biomass and hence carbon storage.

  2. One-step column chromatographic extraction with gradient elution followed by automatic separation of volatiles, flavonoids and polysaccharides from Citrus grandis.

    Science.gov (United States)

    Han, Han-Bing; Li, Hui; Hao, Rui-Lin; Chen, Ya-Fei; Ni, He; Li, Hai-Hang

    2014-02-15

    Citrus grandis Tomentosa is widely used in traditional Chinese medicine and health foods. Its functional components include volatiles, flavonoids and polysaccharides which cannot be effectively extracted through traditional methods. A column chromatographic extraction with gradient elution was developed for one-step extraction of all bioactive substances from C. grandis. Dried material was loaded into a column with petroleum ether: ethanol (8:2, PE) and sequentially eluted with 2-fold PE, 3-fold ethanol: water (6:4) and 8-fold water. The elutes was separated into an ether fraction containing volatiles and an ethanol-water fraction containing flavonoids and polysaccharides. The later was separated into flavonoids and polysaccharides by 80% ethanol precipitation of polysaccharides. Through this procedure, volatiles, flavonoids and polysaccharides in C. grandis were simultaneously extracted at 98% extraction rates and simply separated at higher than 95% recovery rates. The method provides a simple and high-efficient extraction and separation of wide range bioactive substances.

  3. Multiconfiguration Pair-Density Functional Theory: A Fully Translated Gradient Approximation and Its Performance for Transition Metal Dimers and the Spectroscopy of Re2Cl8(2-).

    Science.gov (United States)

    Carlson, Rebecca K; Truhlar, Donald G; Gagliardi, Laura

    2015-09-08

    We extend the on-top density functional of multiconfiguration pair-density functional theory (MC-PDFT) to include the gradient of the on-top density as well as the gradient of the density. We find that the theory is reasonably stable to this extension; furthermore, it provides improved accuracy for molecules containing transition metals. We illustrate the extended on-top density functionals by applying them to Cr2, Cu2, Ag2, Os2, and Re2Cl8(2-) as well as to our previous database of 56 data for bond dissociation energies, barrier heights, reaction energies, proton affinities, and the water dimer. The performance of MC-PDFT is comparable to or better than that of CASPT2.

  4. Energy gradients with respect to atomic positions and cell parameters for the Kohn-Sham density-functional theory at the Gamma point.

    Science.gov (United States)

    Weber, Valéry; Tymczak, Christopher J; Challacombe, Matt

    2006-06-14

    The application of theoretical methods based on density-functional theory is known to provide atomic and cell parameters in very good agreement with experimental values. Recently, construction of the exact Hartree-Fock exchange gradients with respect to atomic positions and cell parameters within the Gamma-point approximation has been introduced. In this article, the formalism is extended to the evaluation of analytical Gamma-point density-functional atomic and cell gradients. The infinite Coulomb summation is solved with an effective periodic summation of multipole tensors. While the evaluation of Coulomb and exchange-correlation gradients with respect to atomic positions are similar to those in the gas phase limit, the gradients with respect to cell parameters needs to be treated with some care. The derivative of the periodic multipole interaction tensor needs to be carefully handled in both direct and reciprocal space and the exchange-correlation energy derivative leads to a surface term that has its origin in derivatives of the integration limits that depend on the cell. As an illustration, the analytical gradients have been used in conjunction with the QUICCA algorithm to optimize one-dimensional and three-dimensional periodic systems at the density-functional theory and hybrid Hartree-Fock/density-functional theory levels. We also report the full relaxation of forsterite supercells at the B3LYP level of theory.

  5. Cultivo de células mesenquimais do sangue de cordão umbilical com e sem uso do gradiente de densidade Ficoll-Paque Blood mesenchymal stem cell culture from the umbilical cord with and without Ficoll-Paque density gradient method

    Directory of Open Access Journals (Sweden)

    Rosa Sayoko Kawasaki-Oyama

    2008-03-01

    Ficoll-Paque gradient density method (d=1.077g/ml. METHODS: Ten samples of the umbilical cord blood obtained from full-term deliveries were submitted to two different procedures of mesenchymal stem cell culture: a Method without the Ficoll-Paque density gradient, which concentrates all nucleated cells; b Method with the Ficoll-Paque density gradient, which selects only low-density mononuclear cells. Cells were initially plated into 25 cm² cultures flasks at a density of 1x10(7 nucleated cells/cm² and 1x10(6 mononuclear cells/cm². RESULTS: It was obtained 2-13x10(7 (median = 2.35x10(7 nucleated cells/cm² by the method without the Ficoll-Paque gradient density, and 3.7-15.7x10(6 (median = 7.2x10(6 mononuclear cells/cm² by the method with the Ficoll-Paque gradient density. In all cultures adherent cells were observed 24 hours after being cultured. Cells presented fibroblastoid and epithelioid morphology. In most of the cultures, cell proliferation occurred in the first week, but after the second week only some cultures - derived from the method without the Ficoll-Paque gradient density - maintained the growth rate reaching confluence. Those cultures were submitted to trypsinization with 0.25% trypsin/EDTA solution and cultured for two to three months. CONCLUSION: In the samples analyzed, cell separation and mesenchymal stem cell culture techniques from human umbilical cord blood by the method without the Ficoll-Paque density gradient was more efficient than the method with the Ficoll-Paque density gradient.

  6. Multiple, simultaneous, independent gradients for a versatile multidimensional liquid chromatography. Part II: Application 2: Computer controlled pH gradients in the presence of urea provide improved separation of proteins: Stability influenced anion and cation exchange chromatography.

    Science.gov (United States)

    Hirsh, Allen G; Tsonev, Latchezar I

    2017-04-28

    This paper details the use of a method of creating controlled pH gradients (pISep) to improve the separation of protein isoforms on ion exchange (IEX) stationary phases in the presence of various isocratic levels of urea. The pISep technology enables the development of computer controlled pH gradients on both cationic (CEX) and anionic (AEX) IEX stationary phases over the very wide pH range from 2 to 12. In pISep, titration curves generated by proportional mixing of the acidic and basic pISep working buffers alone, or in the presence of non-buffering solutes such as the neutral salt NaCl (0-1M), polar organics such as urea (0-8M) or acetonitrile (0-80 Vol%), can be fitted with high fidelity using high order polynomials which, in turn allows construction of a mathematical manifold %A (% acidic pISep buffer) vs. pH vs. [non-buffering solute], permitting precise computer control of pH and the non-buffering solute concentration allowing formation of dual uncoupled liquid chromatographic (LC) gradients of arbitrary shape (Hirsh and Tsonev, 2012 [1]). The separation of protein isoforms examined in this paper by use of such pH gradients in the presence of urea demonstrates the fractionation power of a true single step two dimensional liquid chromatography which we denote as Stability-Influenced Ion Exchange Chromatography (SIIEX). We present evidence that SIIEX is capable of increasing the resolution of protein isoforms difficult to separate by ordinary pH gradient IEX, and potentially simplifying the development of laboratory and production purification strategies involving on-column simultaneous pH and urea unfolding or refolding of targeted proteins. We model some of the physics implied by the dynamics of the observed protein fractionations as a function of both urea concentration and pH assuming that urea-induced native state unfolding competes with native state electrostatic interaction binding to an IEX stationary phase. Implications for in vivo protein

  7. Sucrose density gradient centrifugation and cross-flow filtration methods for the production of arbovirus antigens inactivated by binary ethylenimine

    Directory of Open Access Journals (Sweden)

    Chuan Teck F

    2004-01-01

    Full Text Available Abstract Background Sucrose density gradient centrifugation and cross-flow filtration methods have been developed and standardised for the safe and reproducible production of inactivated arbovirus antigens which are appropriate for use in diagnostic serological applications. Methods To optimise the maximum titre of growth during the propagation of arboviruses, the multiplicity of infection and choice of cell line were investigated using stocks of Ross River virus and Barmah Forest virus grown in both mosquito and mammalian cell lines. To standardise and improve the efficacy of the inactivation of arboviral suspensions, stocks of Ross River virus, Barmah Forest virus, Japanese encephalitis virus, Murray Valley encephalitis virus and Alfuy virus were chemically inactivated using binary ethylenimine at a final concentration of 3 mM. Aliquots were then taken at hourly intervals and crude inactivation rates were determined for each virus using a plaque assay. To ensure complete inactivation, the same aliquots were each passaged 3 times in Aedes albopictus C6/36 cells and the presence of viral growth was detected using an immunofluorescent assay. For larger quantities of viral suspensions, centrifugation on an isopycnic sucrose density gradient or cross-flow filtration was used to produce concentrated, pure antigens or partially concentrated, semi-purified antigens respectively. Results The results of the propagation experiments suggested that the maximum viral titres obtained for both Ross River virus and Barmah Forest virus were affected by the incubation period and choice of cell line, rather than the use of different multiplicity of infection values. Results of the binary ethylenimine inactivation trial suggested that standardised periods of 5 or 8 hours would be suitable to ensure effective and complete inactivation for a number of different arboviral antigens. Conclusion Two methods used to prepare inactivated arbovirus antigens have been

  8. Separation of statistical poly[(N-vinyl pyrrolidone)-co-(vinyl acetate)]s by reversed-phase gradient liquid chromatography.

    Science.gov (United States)

    Cheng, Guanglou; Cullen, Jim; Wu, Chi-san

    2011-01-14

    Although size exclusion chromatography (SEC) has been used successfully to determine the molecular weight distribution (MWD) of statistical poly[(N-vinyl pyrrolidone)-co-(vinyl acetate)]s [PVPVAs], SEC cannot separate the copolymers according to their chemical composition. In this article, the separation of commercial PVPVAs with varying chemical compositions is reported, by aqueous reversed-phase gradient liquid chromatography (RPLC) using polystyrene-divinylbenzene-based wide pore columns. RPLC-SEC cross-fractionation indicates the presence of molar mass dependant effects during RPLC separation due to broad MWD for the copolymer studied; therefore the width of the RPLC peak could not be associated entirely with chemical composition distribution of the copolymer. Coupling of RPLC with online FTIR spectroscopy reveals the increase of VA content with increasing THF gradient, an indication of interaction mechanism between VA repeating units and the stationary phase for water soluble PVPVAs. Separation of water insoluble PVPVAs and PVAs by the RPLC are possibly based on both interaction and precipitation/redissolution mechanisms.

  9. Validation of a pH gradient-based ion-exchange chromatography method for high-resolution monoclonal antibody charge variant separations.

    Science.gov (United States)

    Rea, Jennifer C; Moreno, G Tony; Lou, Yun; Farnan, Dell

    2011-01-25

    Ion-exchange chromatography is widely used for profiling the charge heterogeneity of proteins, including monoclonal antibodies. Despite good resolving power and robustness, ionic strength-based ion-exchange separations are product-specific and time-consuming to develop. We have previously reported a novel pH-based separation of proteins by cation exchange chromatography that was multi-product, high-resolution, and robust against variations in sample matrix salt concentration and pH. In this study, a pH gradient-based separation method using cation exchange chromatography was evaluated in a mock validation. This method was shown to be robust for monoclonal antibodies and suitable for its intended purpose of charge heterogeneity analysis. Simple mixtures of defined buffer components were used to generate the pH gradients that separated closely related antibody species. Validation characteristics, such as precision and linearity, were evaluated. Robustness to changes in protein load, buffer pH and column oven temperature was demonstrated. The stability-indicating capability of this method was determined using thermally stressed antibody samples. In addition, intermediate precision was demonstrated using multiple instruments, multiple analysts, multiple column lots, and different column manufacturers. Finally, the precision for this method was compared to conventional ion-exchange chromatography and imaged capillary isoelectric focusing. These results demonstrate the superior precision and robustness of this multi-product method, which can be used for the high-throughput evaluation of in-process and final product samples.

  10. Calorific value of Prosopis africana and Balanites aegyptiaca wood: Relationships with tree growth, wood density and rainfall gradients in the West African Sahel

    Energy Technology Data Exchange (ETDEWEB)

    Montes, Carmen Sotelo; Weber, John C. [World Agroforestry Centre (ICRAF), Sahel Office, B.P. E 5118 Bamako (Mali); Silva, Dimas Agostinho da; Bolzon de Muniz, Graciela Ines [Universidade Federal do Parana (UFPR), Av. Lothario Meissner, 900, CEP.: 80270-170-Curitiba (Brazil); Garcia, Rosilei A. [Universidade Federal Rural do Rio de Janeiro (UFRRJ), Instituto de Florestas, Departamento de Produtos Florestais, BR 465, km 07, 23890-000, Seropedica, Rio de Janeiro (Brazil)

    2011-01-15

    Prosopis africana and Balanites aegyptiaca are native tree species in the West African Sahel and provide wood for fuel, construction and other essential products. A provenance/progeny test of each species was established at one relatively dry site in Niger, and evaluated at 13 years. Gross calorific value of the wood was determined for a random sample of trees in each test: gross CV and CVm{sup 3} = gross calorific value in MJ kg{sup -1} and MJ m{sup -3}, respectively. The major objectives were to determine if gross CV was positively correlated with wood density and tree growth, and if gross CV and/or CVm{sup 3} varied with rainfall gradients in the sample region. Provenances were grouped into a drier and more humid zone, and correlations were computed among all trees and separately in each zone. Results indicated that gross CV was not significantly correlated with density in either species. Gross CV was positively correlated with growth of P. africana (but not B. aegyptiaca) only in the drier zone. Gross CVm{sup 3} was positively correlated with growth of both species, and the correlations were stronger in the drier zone. Multiple regressions with provenance latitude, longitude and elevation indicated that provenance means for gross CV increased, in general, from the drier to the more humid zones. Regressions with gross CVm{sup 3} were not significant. Results are compared with earlier research reports from the provenance/progeny tests and with other tropical hardwood species; and practical implications are presented for tree improvement and conservation programs in the region. (author)

  11. A high gradient and strength bioseparator with nano-sized immunomagnetic particles for specific separation and efficient concentration of E. coli O157:H7

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Jianhan, E-mail: jianhan@cau.edu.cn [Ministry of Agriculture Key Laboratory of Agricultural Information Acquisition Technology (Beijing), 17 East Tsinghua Road, China Agricultural University, Mailbox 125, Beijing 100083 (China); Li, Min [College of Biosystems Engineering and Food Science, Zhejiang University, Hangzhou 310058 (China); Li, Yanbin [College of Biosystems Engineering and Food Science, Zhejiang University, Hangzhou 310058 (China); Department of Biological and Agricultural Engineering, University of Arkansas, Fayetteville, AR 72701 (United States); Chen, Qi [Modern Precision Agriculture System Integration Research Key Laboratory of Ministry of Education, China Agricultural University, Beijing 100083 (China)

    2015-03-15

    Sample pretreatment is a key to rapid screening of pathogens for prevention and control of foodborne diseases. Magnetic immunoseparation is a specific method based on antibody–antigen reaction to capture the target bacteria and concentrate them in a smaller-volume buffer. The use of nano-sized magnetic particles could improve the separation efficiency of bacteria but require much higher gradient and strength magnetic field. In this study, a strong magnetic bioseparator with a mean field strength of 1.35 T and a mean gradient of 90 T/m was developed with the use of the 30 nm and 180 nm magnetic particles to specifically separate and efficiently concentrate foodborne bacterial pathogens using Escherichia coli O157:H7 as a model bacterium. The polyclonal antibodies against E. coli were evaluated using Dot ELISA analysis for their good affinity with the target bacteria and then used to modify the surface of the magnetic nanoparticles by 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (EDC·HCl) method and streptavidin-biotin binding. The magnetic particle concentrations were optimized to be 40 µg/ml and 100 µg/ml for the 30 nm and 180 nm particles, respectively, the immunoreaction time was optimized to be 45 min for both sizes of particles, and the separation times were optimized to be 60 min and 2 min for the 30 nm and 180 nm particles, respectively. The total magnetic separation time was 2 h and 1 h for the 30 nm and 180 nm particles, respectively. The experimental results demonstrated that the bioseparator with the use of either 30 nm or 180 nm immunomagnetic particles could achieve a separation efficiency of >90% for E. coli O157:H7 at the concentrations ranging from 10{sup 2} to 10{sup 5} cfu/ml. No obvious interferences from non-target foodborne pathogens, such as SalmonellaTyphimurium and Listeria innocua, were found. For overall consideration of the consuming time, the cost, and the separation efficiency, the 180 nm magnetic particles are

  12. Excited states from range-separated density-functional perturbation theory

    CERN Document Server

    Rebolini, Elisa; Teale, Andrew M; Helgaker, Trygve; Savin, Andreas

    2014-01-01

    We explore the possibility of calculating electronic excited states by using perturbation theory along a range-separated adiabatic connection. Starting from the energies of a partially interacting Hamiltonian, a first-order correction is defined with two variants of perturbation theory: a straight-forward perturbation theory, and an extension of the G{\\"o}rling--Levy one that has the advantage of keeping the ground-state density constant at each order in the perturbation. Only the first, simpler, variant is tested here on the helium and beryllium atoms and on the dihydrogene molecule. The first-order correction within this perturbation theory improves significantly the total ground-and excited-state energies of the different systems. However, the excitation energies are mostly deterio-rated with respect to the zeroth-order ones, which may be explained by the fact that the ionization energy is no longer correct for all interaction strengths. The second variant of the perturbation theory should improve these re...

  13. Monolithic polymer layer with gradient of hydrophobicity for separation of peptides using two-dimensional thin layer chromatography and MALDI-TOF-MS detection.

    Science.gov (United States)

    Urbanova, Iva; Svec, Frantisek

    2011-08-01

    Superhydrophobic monolithic porous polymer layers supported onto glass plates with a gradient of hydrophobicity have been prepared and used for 2-D thin layer chromatography of peptides. The 50 μm-thin poly(glycidyl methacrylate-co-ethylene dimethacrylate) layers prepared using UV-initiated polymerization in a simple mold were first hydrolyzed using dilute sulfuric acid and then hydrophilized via two-step grafting of poly(ethylene glycol) methacrylate to obtain superhydrophilic plates. The hydrophobicity was then formed by photografting of lauryl methacrylate. The exposure to UV light that initiates photografting was spatially controlled using moving shutter that enabled forming of the diagonal gradient of hydrophobicity. This new concept enables the solutes to encounter the gradient for each of the two sequential developments. Practical application of our novel plates was demonstrated with a rapid 2-D separation of a mixture of model peptides gly-tyr, val-tyr-val, leucine enkephalin, and oxytocin in dual reversed-phase mode using different mobile phases in each direction. Detection of fluorescent-labeled peptides was achieved through UV light visualization while separation of native leucine enkephalin and oxytocin was monitored directly using MALDI mass spectrometry. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Application of linear pH gradients for the modeling of ion exchange chromatography: Separation of monoclonal antibody monomer from aggregates.

    Science.gov (United States)

    Kluters, Simon; Wittkopp, Felix; Jöhnck, Matthias; Frech, Christian

    2016-02-01

    The mobile phase pH is a key parameter of every ion exchange chromatography process. However, mechanistic insights into the pH influence on the ion exchange chromatography equilibrium are rare. This work describes a mechanistic model capturing salt and pH influence in ion exchange chromatography. The pH dependence of the characteristic protein charge and the equilibrium constant is introduced to the steric mass action model based on a protein net charge model considering the number of amino acids interacting with the stationary phase. This allows the description of the adsorption equilibrium of the chromatographed proteins as a function of pH. The model parameters were determined for a monoclonal antibody monomer, dimer, and a higher aggregated species based on a manageable set of pH gradient experiments. Without further modification of the model parameters the transfer to salt gradient elution at fixed pH is demonstrated. A lumped rate model was used to predict the separation of the monoclonal antibody monomer/aggregate mixture in pH gradient elution and for a pH step elution procedure-also at increased protein loadings up to 48 g/L packed resin. The presented model combines both salt and pH influence and may be useful for the development and deeper understanding of an ion exchange chromatography separation.

  15. Anomalous diurnal variation of atmospheric potential gradient and air-Earth current density observed at Maitri, Antarctica

    Science.gov (United States)

    Jeeva, K.; Gurubaran, S.; Williams, E. R.; Kamra, A. K.; Sinha, A. K.; Guha, A.; Selvaraj, C.; Nair, K. U.; Dhar, Ajay

    2016-11-01

    The scope of this paper is to explore the mechanisms operating over Maitri (70.76°S, 11.74°E, 117 m above mean sea level), a coastal Antarctic station, that produce an anomalous fair-weather diurnal pattern of the atmospheric electric potential gradient (PG) and air-Earth current density (AEC). The anomaly in the diurnal variations of AEC and the PG is displaying an ostensible minimum at 10 UT and a diminished response to the thunderstorm over the African continent in the 14-16 UT time frame. The data sets (2005-2014, except 2012) of the PG, and to some extent, AEC, from Maitri, are used to explore this anomaly. It follows that the fair-weather electrical phenomena over Maitri can be ascribed to global electrified convection on the one hand and to regional phenomena like convection due to the replacement of warm air by katabatic winds on the other hand. The katabatic winds originate on the polar plateau and blow from 130° at Maitri which are likely to transport various elements from the mountain slopes, and space charge from the polar plateau is expected to produce various disturbances in the PG and AEC monitored over the coastal Antarctica. This mechanism may be responsible for peaks in the early UT hours and also for the anomalous behavior of atmospheric electrical parameters observed at Maitri. Maitri data are compared with that of Carnegie cruise and Vostok to explain the source of anomaly.

  16. Sedimentation properties in density gradients correspond with levels of sperm DNA fragmentation, chromatin compaction and binding affinity to hyaluronic acid.

    Science.gov (United States)

    Torabi, Forough; Binduraihem, Adel; Miller, David

    2017-03-01

    Mature spermatozoa bind hyaluronic acid in the extracellular matrix via hyaladherins. Immature spermatozoa may be unable to interact because they do not express the appropriate hyaladherins on their surface. Fresh human semen samples were fractionated using differential density gradient centrifugation (DDGC) and the ability of these fractions to bind hyaluronic acid was evaluated. The presence of sperm hyaladherins was also assessed. CD44 was located mainly on the acrosome and equatorial segment and became more restricted to the equatorial segment in capacitated spermatozoa. Hyaluronic acid-TRITC (hyaluronic acid conjugated with tetramethylrhodamine isothiocyanante), a generic hyaluronic-acid-binding reagent, labelled the membrane and the neck region, particularly after capacitation. Sperm populations obtained after DDGC or after interaction with hyaluronic acid were assessed for DNA fragmentation and chromatin maturity. Strong relationships between both measures and sperm sedimentation and hyaluronic-acid-binding profiles were revealed. Capacitation enhanced hyaluronic acid binding of both DDGC-pelleted sperm and sperm washed free of seminal fluid. In conclusion, hyaladherins were detected on human sperm and a higher capacity for sperm hyaluronic-acid-binding was shown to correspond with their DDGC sedimentation profiles and with lower levels of DNA fragmentation and better chromatin maturity. Capacitation induced changes in the distribution and presence of hyaladherins may enhance hyaluronic-acid-binding.

  17. PFISR GPS tracking mode for researching high-latitude ionospheric electron density gradients associated with GPS scintillation

    Science.gov (United States)

    Loucks, D. C.; Palo, S. E.; Pilinski, M.; Crowley, G.; Azeem, S. I.; Hampton, D. L.

    2016-12-01

    Ionospheric behavior in the high-latitudes can significantly impact Ultra High Frequency (UHF) signals in the 300 MHz to 3 GHz band, resulting in degradation of Global Positioning System (GPS) position solutions and satellite communications interruptions. To address these operational concerns, a need arises to identify and understand the ionospheric structure that leads to disturbed conditions in the Arctic. Structures in the high-latitude ionosphere are known to change on the order of seconds or less, can be decameters to kilometers in scale, and elongate across magnetic field lines at auroral latitudes. Nominal operations at Poker Flat Incoherent Scatter Radar (PFISR) give temporal resolution on the order of minutes, and range resolution on the order of tens of kilometers, while specialized GPS receivers available for ionospheric sensing have a 100Hz observation sampling rate. One of these, ASTRA's Connected Autonomous Space Environment Sensor (CASES) is used for this study. We have developed a new GPS scintillation tracking mode for PFISR to address open scientific questions regarding temporal and spatial electron density gradients. The mode will be described, a number of experimental campaigns will be analyzed, and results and lessons learned will be presented.

  18. Space Electron Density Gradient Studies using a 3D Embedded Reconfigurable Sounder and ESA/NASA CLUSTER Mission

    Science.gov (United States)

    Dekoulis, George

    2016-07-01

    This paper provides a direct comparison between data captured by a new embedded reconfigurable digital sounder, different ground-based ionospheric sounders spread around Europe and the ESA/NASA CLUSTER mission. The CLUSTER mission consists of four identical space probes flying in a formation that allows measurements of the electron density gradient in the local magnetic field. Both the ground-based and the spacecraft instrumentations assist in studying the motion, geometry and boundaries of the plasmasphere. The comparison results are in accordance to each other. Some slight deviations among the captured data were expected from the beginning of this investigation. These small discrepancies are reasonable and seriatim analyzed. The results of this research are significant, since the level of the plasma's ionization, which is related to the solar activity, dominates the propagation of electromagnetic waves through it. Similarly, unusually high solar activity presents serious hazards to orbiting satellites, spaceborne instrumentation, satellite communications and infrastructure located on the Earth's surface. Long-term collaborative study of the data is required to continue, in order to identify and determine the enhanced risk in advance. This would allow scientists to propose an immediate cure.

  19. First-principles local density approximation (LDA)+ U and generalized gradient approximation (GGA) + U studies of plutonium oxides

    Institute of Scientific and Technical Information of China (English)

    Sun Bo; Zhang Ping

    2008-01-01

    The electronic structures and properties of PuO2 and Pu2O3 have been studied according to the first principles by using the all-electron projector-augmented-wave (PAW) method. The local density approximation (LDA)+U and the generalized gradient approximation (GGA)+U formalisms have been used to account for the strong on-site Coulomb repulsion among the localized Pu 5f electrons. We discuss how the properties of PuO2 and Pu2O3 are affected by choosing the values of U and exchange-correlation potential. Also, the oxidation reaction of Pu2O3, leading to the formation of PuO2, and its dependence on U and exchange-correlation potential have been studied. Our results show that by choosing an appropriate U it is possible to consistently describe structural, electronic, and thermodynamic properties of PuO2 and Pu2O3, which enable the modelling of the redox process involving Pu-based materials.

  20. Relativistically Induced Transparency Acceleration (RITA) of Protons and Light-ions with Ultrashort Laser Interaction with Heavy-ion Plasma Density Gradient

    CERN Document Server

    Sahai, Aakash A; Tableman, A R; Mori, W B; Katsouleas, T C

    2014-01-01

    The relativistically induced transparency acceleration (RITA) scheme of proton and ion acceleration using laser-plasma interactions is introduced, modeled, and compared to the existing schemes. Protons are accelerated with femtosecond relativistic pulses to produce quasimonoenergetic bunches with controllable peak energy. The RITA scheme works by a relativistic laser inducing transparency to densities higher than the cold-electron critical density, while the background heavy ions are stationary. The rising laser pulse creates a traveling acceleration structure at the relativistic critical density by ponderomotively driving a local electron density inflation, creating an electron snowplow and a co-propagating electrostatic potential. The snowplow advances with a velocity determined by the rate of the rise of the laser's intensity envelope and the heavy-ion-plasma density gradient scale length. The rising laser is incrementally rendered transparent to higher densities such that the relativistic-electron plasma ...

  1. Cheap DECAF: Density Estimation for Cetaceans from Acoustic Fixed Sensors Using Separate, Non-Linked Devices

    Science.gov (United States)

    2014-09-30

    1 DISTRIBUTION STATEMENT A. Approved for public release; distribution is unlimited. Cheap DECAF: Density Estimation for Cetaceans from... cetaceans using passive fixed acoustics rely on large, dense arrays of cabled hydrophones and/or auxiliary information from animal tagging projects...estimating cetacean density. Therefore, the goal of Cheap DECAF is to focus on the development of cetacean density estimation methods using sensors that

  2. Advancing biodiversity-ecosystem functioning science using high-density tree-based experiments over functional diversity gradients.

    Science.gov (United States)

    Tobner, Cornelia M; Paquette, Alain; Reich, Peter B; Gravel, Dominique; Messier, Christian

    2014-03-01

    Increasing concern about loss of biodiversity and its effects on ecosystem functioning has triggered a series of manipulative experiments worldwide, which have demonstrated a general trend for ecosystem functioning to increase with diversity. General mechanisms proposed to explain diversity effects include complementary resource use and invoke a key role for species' functional traits. The actual mechanisms by which complementary resource use occurs remain, however, poorly understood, as well as whether they apply to tree-dominated ecosystems. Here we present an experimental approach offering multiple innovative aspects to the field of biodiversity-ecosystem functioning (BEF) research. The International Diversity Experiment Network with Trees (IDENT) allows research to be conducted at several hierarchical levels within individuals, neighborhoods, and communities. The network investigates questions related to intraspecific trait variation, complementarity, and environmental stress. The goal of IDENT is to identify some of the mechanisms through which individuals and species interact to promote coexistence and the complementary use of resources. IDENT includes several implemented and planned sites in North America and Europe, and uses a replicated design of high-density tree plots of fixed species-richness levels varying in functional diversity (FD). The design reduces the space and time needed for trees to interact allowing a thorough set of mixtures varying over different diversity gradients (specific, functional, phylogenetic) and environmental conditions (e.g., water stress) to be tested in the field. The intention of this paper is to share the experience in designing FD-focused BEF experiments with trees, to favor collaborations and expand the network to different conditions.

  3. Separation of single-walled carbon nanotubes by gel-based chromatography using surfactant step-gradient techniques and development of new instrumentation for studying SWCNT reaction processes

    Science.gov (United States)

    Breindel, Leonard M.

    Single-walled carbon nanotube (SWCNT) synthesis methods such as CoMoCATTM, HiPcoTM, pulsed laser vaporization (PLV), and catalytic chemical vapor deposition (CCVD) produce several different distributions of (n,m) SWCNT structures, where ( n,m) defines the nanotube diameter and chiral wrapping angle. Post-synthesis processing such as functionalization and/or separations must therefore be employed to yield high purity electronic or single (n,m) samples. Through the use of a surfactant gradient across a gel-based chromatographic column, separations of single (n,m) species can be achieved. Anionic surfactants such as SDS, SDBS, and AOT display different separation effectiveness for single (n,m) species. Results of near-infrared optical absorption for separated SWCNT surfactant suspensions will be discussed, leading to a broader understanding of the important factors necessary for the gel chromatography separation technique. In particular, the effects of SWCNT/surfactant micelle structure are found to be key to achieving fast, simple SWCNT electronic type separations. Additionally, development of new instrumentation for the near-infrared spectrofluorimetric analysis (NIR-SFA) of SWCNTs is useful to the advancement of fundamental SWCNT research and applications. NIR-SFA, for instance, allows for the (n,m) structures of a sample to be identified and monitored during the progress of a chemical reaction or separation experiment. Seeking to achieve the time resolutions necessary for such experiments, the design and optimizations of a system utilizing single-wavelength excitation by diode lasers coupled with a fast NIR detection system are presented.

  4. Linear interpolation method in ensemble Kohn-Sham and range-separated density-functional approximations for excited states

    CERN Document Server

    Senjean, Bruno; Jensen, Hans Jørgen Aa; Fromager, Emmanuel

    2015-01-01

    The computation of excitation energies in range-separated ensemble density-functional theory (DFT) is discussed. The latter approach is appealing as it enables the rigorous formulation of a multi-determinant state-averaged DFT method. In the exact theory, the short-range density functional, that complements the long-range wavefunction-based ensemble energy contribution, should vary with the ensemble weights even when the density is held fixed. This weight dependence ensures that the range-separated ensemble energy varies linearly with the ensemble weights. When the (weight-independent) ground-state short-range exchange-correlation functional is used in this context, curvature appears thus leading to an approximate weight-dependent excitation energy. In order to obtain unambiguous approximate excitation energies, we simply propose to interpolate linearly the ensemble energy between equiensembles. It is shown that such a linear interpolation method (LIM) effectively introduces weight dependence effects. LIM has...

  5. THE MIXTURES OF 2.4-DINITROPHENYLHIDRAZONES OF INFERIOR CARBONYL COMPOUNDS AND THEIR HPLC SEPARATION WITH GRADIENT BINARY MIXTURES PHASES

    Directory of Open Access Journals (Sweden)

    Gheorghe Zgherea

    2008-06-01

    Full Text Available Mixtures of small quantities of carbonyl compounds are presents in foods, concerning sensorial qualities. The inferior carbonyl compounds (C2-C4, boiling point <100°C – mono and dicarbonyl – can be identified and measured their concentrations, after a separation by distillation on the water bath. They are transferred in a strongly acid solution of 2.4-dinitrophenylhidrazine (2.4-DNPH, generating a mixture of insoluble 2.4-dinitrophenylhidrazones (2.4-DNPH-ones. The 2.4-DNPH-ones are organic compounds with weak polarity, solids, crystallized, yellows and water insoluble, soluble in organic solvents. The mixture of 2.4dinitrophenylhidrazones may be separated by liquid chromatography, using the reverse phase mechanism [1-3]. This paper contains experimental and theoretical considerations to the means of separation through liquid chromatography of two synthetically and a natural mixtures that contain 2.4-DNPH-ones provided by inferior carbonyl compounds; to obtain conclude results, in the synthetically mixtures was introduce and 2.4-DNPH-ones provided by carbonyl compounds having three (acetone and propanal and four (isobutyl aldehyde atoms of carbon.

  6. Collagen density gradient on three-dimensional printed poly(ε-caprolactone) scaffolds for interface tissue engineering.

    Science.gov (United States)

    D'Amora, Ugo; D'Este, Matteo; Eglin, David; Safari, Fatemeh; Sprecher, Christoph M; Gloria, Antonio; De Santis, Roberto; Alini, Mauro; Ambrosio, Luigi

    2017-05-09

    The ability to engineer scaffolds that resemble the transition between tissues would be beneficial to improve repair of complex organs, but has yet to be achieved. In order to mimic tissue organization, such constructs should present continuous gradients of geometry, stiffness and biochemical composition. Although the introduction of rapid prototyping or additive manufacturing techniques allows deposition of heterogeneous layers and shape control, the creation of surface chemical gradients has not been explored on three-dimensional (3D) scaffolds obtained through fused deposition modelling technique. Thus, the goal of this study was to introduce a gradient functionalization method in which a poly(ε-caprolactone) surface was first aminolysed and subsequently covered with collagen via carbodiimide reaction. The 2D constructs were characterized for their amine and collagen contents, wettability, surface topography and biofunctionality. Finally, chemical gradients were created in 3D printed scaffolds with controlled geometry and porosity. The combination of additive manufacturing and surface modification is a viable tool for the fabrication of 3D constructs with controlled structural and chemical gradients. These constructs can be employed for mimicking continuous tissue gradients for interface tissue engineering. Copyright © 2017 John Wiley & Sons, Ltd.

  7. A high gradient and strength bioseparator with nano-sized immunomagnetic particles for specific separation and efficient concentration of E. coli O157:H7

    Science.gov (United States)

    Lin, Jianhan; Li, Min; Li, Yanbin; Chen, Qi

    2015-03-01

    Sample pretreatment is a key to rapid screening of pathogens for prevention and control of foodborne diseases. Magnetic immunoseparation is a specific method based on antibody-antigen reaction to capture the target bacteria and concentrate them in a smaller-volume buffer. The use of nano-sized magnetic particles could improve the separation efficiency of bacteria but require much higher gradient and strength magnetic field. In this study, a strong magnetic bioseparator with a mean field strength of 1.35 T and a mean gradient of 90 T/m was developed with the use of the 30 nm and 180 nm magnetic particles to specifically separate and efficiently concentrate foodborne bacterial pathogens using Escherichia coli O157:H7 as a model bacterium. The polyclonal antibodies against E. coli were evaluated using Dot ELISA analysis for their good affinity with the target bacteria and then used to modify the surface of the magnetic nanoparticles by 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (EDC·HCl) method and streptavidin-biotin binding. The magnetic particle concentrations were optimized to be 40 μg/ml and 100 μg/ml for the 30 nm and 180 nm particles, respectively, the immunoreaction time was optimized to be 45 min for both sizes of particles, and the separation times were optimized to be 60 min and 2 min for the 30 nm and 180 nm particles, respectively. The total magnetic separation time was 2 h and 1 h for the 30 nm and 180 nm particles, respectively. The experimental results demonstrated that the bioseparator with the use of either 30 nm or 180 nm immunomagnetic particles could achieve a separation efficiency of >90% for E. coli O157:H7 at the concentrations ranging from 102 to 105 cfu/ml. No obvious interferences from non-target foodborne pathogens, such as SalmonellaTyphimurium and Listeria innocua, were found. For overall consideration of the consuming time, the cost, and the separation efficiency, the 180 nm magnetic particles are practical for rapid

  8. Ghost-interaction correction in ensemble density-functional theory for excited states with and without range separation

    Science.gov (United States)

    Alam, Md. Mehboob; Knecht, Stefan; Fromager, Emmanuel

    2016-07-01

    Ensemble density-functional theory (eDFT) suffers from the so-called "ghost-interaction" error when approximate exchange-correlation functionals are used. In this work, we present a rigorous ghost-interaction correction (GIC) scheme in the context of range-separated eDFT. The method relies on an exact decomposition of the ensemble short-range exchange-correlation energy into a multideterminantal exact exchange term, which involves the long-range interacting ensemble density matrix, instead of the Kohn-Sham (KS) one, and a complementary density-functional correlation energy. A generalized adiabatic connection formula is derived for the latter. In order to perform practical calculations, the complementary correlation functional is simply modeled by its ground-state local density approximation (LDA), while long-range interacting ground- and excited-state wave functions are obtained self-consistently by combining a long-range configuration-interaction calculation with a short-range LDA potential. We show that the GIC reduces the curvature of approximate range-separated ensemble energies drastically while providing considerably more accurate excitation energies, even for charge-transfer and double excitations. Interestingly, the method performs well also in the context of standard KS-eDFT, which is recovered when the range-separation parameter is set to 0.

  9. Development of a vector-tensor system to measure the absolute magnetic flux density and its gradient in magnetically shielded rooms.

    Science.gov (United States)

    Voigt, J; Knappe-Grüneberg, S; Gutkelch, D; Haueisen, J; Neuber, S; Schnabel, A; Burghoff, M

    2015-05-01

    Several experiments in fundamental physics demand an environment of very low, homogeneous, and stable magnetic fields. For the magnetic characterization of such environments, we present a portable SQUID system that measures the absolute magnetic flux density vector and the gradient tensor. This vector-tensor system contains 13 integrated low-critical temperature (LTc) superconducting quantum interference devices (SQUIDs) inside a small cylindrical liquid helium Dewar with a height of 31 cm and 37 cm in diameter. The achievable resolution depends on the flux density of the field under investigation and its temporal drift. Inside a seven-layer mu-metal shield, an accuracy better than ±23 pT for the components of the static magnetic field vector and ±2 pT/cm for each of the nine components of the gradient tensor is reached by using the shifting method.

  10. A Breast Cell Atlas: Organelle analysis of the MDA-MB-231 cell line by density-gradient fractionation using isotopic marking and label-free analysis

    Directory of Open Access Journals (Sweden)

    Marianne Sandin

    2015-09-01

    Full Text Available Protein translocation between organelles in the cell is an important process that regulates many cellular functions. However, organelles can rarely be isolated to purity so several methods have been developed to analyse the fractions obtained by density gradient centrifugation. We present an analysis of the distribution of proteins amongst organelles in the human breast cell line, MDA-MB-231 using two approaches: an isotopic labelling and a label-free approach.

  11. On the formation of sharp gradients in electron density resulting from an ice-plasma feedback instabilities in the polar summer mesosphere

    Science.gov (United States)

    Yee, J.; Bahcivan, H.

    2014-12-01

    Polar Mesospheric Summer Echoes (PMSEs) have commonly been attributed to scattering from (1) volume-filled electron density turbulence and (2) extremely sharp (meter-scale) gradients in electron density. In-situ sounding rockets have measured both extended regions of turbulence as well as electron density ledges. Unlike the turbulence theory, which has been extensively studied, a theory on the formation of sharp edges has yet to be explored. In this study, we reconsider the study of Gumbel et al. [2002] on the influences of ice particles on the ion chemistry and propose a theory of ice-plasma feedback instability in order to explain the origin of sharp electron density gradients. A one-dimensional particle-in-cell simulation of a multi-constituent weakly-ionized plasma has been developed to capture the physics of proton-hydrates (H+[H20]n), ice, and plasma interactions on a spatial grid of approximately 25 m. The simulation captures (1) the development of the proton-hydrate chain starting at n=4 via Thomson's model and Natanson's recombination scheme, (2) the formation of ice nucleation on large cluster proton-hydrates (n > 73), (3) the attachment of electrons (and ions) to ice particles, and resulting depletion of the plasma density, which significantly accelerates the proton-hydrate chain and ionic nucleation of new ice particles, (4) and the development of an ice-plasma feedback instability whereby the repeated process of developing new ice particles leads to capture of even more electrons and further depletion of existing regions of lower plasma density. Since this feedback instability process is faster than typical aerosol diffusion rates in this region, existing gradients steepen to produce electron density ledges. Although ionic nucleation is not feasible as the major mesospheric nucleation process, it can become efficient locally, near the coldest parts of the mesosphere because the proton-hydrate chain development is extremely sensitive to ambient

  12. Optoelectronic and Excitonic Properties of Oligoacenes: Substantial Improvements from Range-Separated Time-Dependent Density Functional Theory

    CERN Document Server

    Wong, Bryan M; 10.1021/ct100529s

    2010-01-01

    The optoelectronic and excitonic properties in a series of linear acenes (naphthalene up to heptacene) are investigated using range-separated methods within time-dependent density functional theory (TDDFT). In these rather simple systems, it is well-known that TDDFT methods using conventional hybrid functionals surprisingly fail in describing the low-lying La and Lb valence states, resulting in large, growing errors for the La state and an incorrect energetic ordering as a function of molecular size. In this work, we demonstrate that the range-separated formalism largely eliminates both of these errors and also provides a consistent description of excitonic properties in these systems. We further demonstrate that re-optimizing the percentage of Hartree-Fock exchange in conventional hybrids to match wavefunction-based benchmark calculations still yields serious errors, and a full 100% Hartree-Fock range separation is essential for simultaneously describing both of the La and Lb transitions. Based on an analysi...

  13. Enrichment of the glycoalkaloids alpha-solanine and alpha-chaconine from potato juice by adsorptive bubble separation using a pH gradient.

    Science.gov (United States)

    Backleh, Marlène; Ekici, Perihan; Leupold, Günther; Coelhan, Mehmet; Parlar, Harun

    2004-08-01

    For the first time, the solanidine alkaloids alpha-solanine and alpha-chaconine could be quantitatively enriched from potato juice by Adsorptive Bubble Separation (ABS) with a pH gradient. The enrichment into the foam was influenced by the pH value, bubble size, and gas flow rate. The efficiency was highest on using diluted samples with a concentration between 2 and 6 mg L(-1) of the alkaloids at pH 6.0. The experiments with a standard solution of each alkaloid confirmed that these substances can be quantitatively enriched into the 'spumat' without surface active potato proteins. The transfer into the foam fraction under these conditions was similar to that from the aqueous potato extract.

  14. New composite separator pellet to increase power density and reduce size of thermal batteries.

    Energy Technology Data Exchange (ETDEWEB)

    Mondy, Lisa Ann; Roberts, Christine Cardinal; Grillet, Anne; Soehnel, Melissa Marie; Barringer, David Alan; DiAntonio, Christopher Brian; Chavez, Thomas P.; Ingersoll, David T.; Hughes, Lindsey Gloe; Evans, Lindsey R.; Fitchett, Stephanie

    2013-11-01

    We show that it is possible to manufacture strong macroporous ceramic films that can be backfilled with electrolyte to form rigid separator pellets suitable for use in thermal batteries. Several new ceramic manufacturing processes are developed to produce sintered magnesium oxide foams with connected porosities of over 80% by volume and with sufficient strength to withstand the battery manufacturing steps. The effects of processing parameters are quantified, and methods to imbibe electrolyte into the ceramic scaffold demonstrated. Preliminary single cell battery testing show that some of our first generation pellets exhibit longer voltage life with comparable resistance at the critical early times to that exhibited by a traditional pressed pellets. Although more development work is needed to optimize the processes to create these rigid separator pellets, the results indicate the potential of such ceramic separator pellets to be equal, if not superior to, current pressed pellets. Furthermore, they could be a replacement for critical material that is no longer available, as well as improving battery separator strength, decreasing production costs, and leading to shorter battery stacks for long-life batteries.

  15. Advanced separators based on aromatic polymer for high energy density lithium batteries

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Zhengcheng; Woo, Jung-Je; Amine, Khalil

    2017-03-21

    A process includes casting a solution including poly(phenylene oxide), inorganic nanoparticles, a solvent, and a non-solvent on a substrate; and removing the solvent to form a porous film; wherein: the porous film is configured for use as a porous separator for a lithium ion battery.

  16. Fractional calculus, completely monotonic functions, a generalized Mittag-Leffler function and phase-space consistency of separable augmented densities

    CERN Document Server

    An, J

    2012-01-01

    Under the separability assumption on the augmented density, a distribution function can be always constructed for a spherical population with the specified density and anisotropy profile. Then, a question arises, under what conditions the distribution constructed as such is non-negative everywhere in the entire accessible subvolume of the phase-space. We rediscover necessary conditions on the augmented density expressed with fractional calculus. The condition on the radius part R(r^2) -- whose logarithmic derivative is the anisotropy parameter -- is equivalent to R(1/w)/w being a completely monotonic function whereas the condition on the potential part is stated as its derivative up to the order not greater than 3/2-b being non-negative (where b is the central limiting value for the anisotropy parameter). We also derive the set of sufficient conditions on the separable augmented density for the non-negativity of the distribution, which generalizes the condition derived for the generalized Cuddeford system by ...

  17. On the errors of local density (LDA) and generalized gradient (GGA) approximations to the Kohn-Sham potential and orbital energies.

    Science.gov (United States)

    Gritsenko, O V; Mentel, Ł M; Baerends, E J

    2016-05-28

    In spite of the high quality of exchange-correlation energies Exc obtained with the generalized gradient approximations (GGAs) of density functional theory, their xc potentials vxc are strongly deficient, yielding upshifts of ca. 5 eV in the orbital energy spectrum (in the order of 50% of high-lying valence orbital energies). The GGAs share this deficiency with the local density approximation (LDA). We argue that this error is not caused by the incorrect long-range asymptotics of vxc or by self-interaction error. It arises from incorrect density dependencies of LDA and GGA exchange functionals leading to incorrect (too repulsive) functional derivatives (i.e., response parts of the potentials). The vxc potential is partitioned into the potential of the xc hole vxchole (twice the xc energy density ϵxc), which determines Exc, and the response potential vresp, which does not contribute to Exc explicitly. The substantial upshift of LDA/GGA orbital energies is due to a too repulsive LDA exchange response potential vxresp (LDA) in the bulk region. Retaining the LDA exchange hole potential plus the B88 gradient correction to it but replacing the response parts of these potentials by the model orbital-dependent response potential vxresp (GLLB) of Gritsenko et al. [Phys. Rev. A 51, 1944 (1995)], which has the proper step-wise form, improves the orbital energies by more than an order of magnitude. Examples are given for the prototype molecules: dihydrogen, dinitrogen, carbon monoxide, ethylene, formaldehyde, and formic acid.

  18. High density of tree-cavities and snags in tropical dry forest of western Mexico raises questions for a latitudinal gradient.

    Directory of Open Access Journals (Sweden)

    Leopoldo Vázquez

    Full Text Available It has been suggested that a latitudinal gradient exists of a low density of snags and high density of naturally-formed tree-cavities in tropical vs. temperate forests, though few cavities may have characteristics suitable for nesting by birds. We determined snag and cavity density, characteristics, and suitability for birds in a tropical dry forest biome of western Mexico, and evaluated whether our data fits the trend of snag and cavity density typically found in tropical moist and wet forests. We established five 0.25-ha transects to survey and measure tree-cavities and snags in each of three vegetation types of deciduous, semi-deciduous, and mono-dominant Piranhea mexicana forest, comprising a total of 3.75 ha. We found a high density of 77 cavities/ha, with 37 cavities suitable for birds/ha, where density, and characteristics of cavities varied significantly among vegetation types. Lowest abundance of cavities occurred in deciduous forest, and these were in smaller trees, at a lower height, and with a narrower entrance diameter. Only 8.6% of cavities were excavated by woodpeckers, and only 11% of cavities were occupied, mainly by arthropods, though 52% of all cavities were unsuitable for birds. We also found a high density of 56 snags/ha, with greatest density in deciduous forest (70 snags/ha, though these were of significantly smaller diameter, and snags of larger diameter were more likely to contain cavities. The Chamela-Cuixmala tropical dry forest had the highest density of snags recorded for any tropical or temperate forest, and while snag density was significantly correlated with mean snag dbh, neither latitude nor mean dbh predicted snag density in ten forest sites. The high spatial aggregation of snag and cavity resources in tropical dry forest may limit their availability, particularly for large-bodied cavity adopters, and highlights the importance of habitat heterogeneity in providing resources for primary and secondary cavity-nesters.

  19. High density of tree-cavities and snags in tropical dry forest of western Mexico raises questions for a latitudinal gradient.

    Science.gov (United States)

    Vázquez, Leopoldo; Renton, Katherine

    2015-01-01

    It has been suggested that a latitudinal gradient exists of a low density of snags and high density of naturally-formed tree-cavities in tropical vs. temperate forests, though few cavities may have characteristics suitable for nesting by birds. We determined snag and cavity density, characteristics, and suitability for birds in a tropical dry forest biome of western Mexico, and evaluated whether our data fits the trend of snag and cavity density typically found in tropical moist and wet forests. We established five 0.25-ha transects to survey and measure tree-cavities and snags in each of three vegetation types of deciduous, semi-deciduous, and mono-dominant Piranhea mexicana forest, comprising a total of 3.75 ha. We found a high density of 77 cavities/ha, with 37 cavities suitable for birds/ha, where density, and characteristics of cavities varied significantly among vegetation types. Lowest abundance of cavities occurred in deciduous forest, and these were in smaller trees, at a lower height, and with a narrower entrance diameter. Only 8.6% of cavities were excavated by woodpeckers, and only 11% of cavities were occupied, mainly by arthropods, though 52% of all cavities were unsuitable for birds. We also found a high density of 56 snags/ha, with greatest density in deciduous forest (70 snags/ha), though these were of significantly smaller diameter, and snags of larger diameter were more likely to contain cavities. The Chamela-Cuixmala tropical dry forest had the highest density of snags recorded for any tropical or temperate forest, and while snag density was significantly correlated with mean snag dbh, neither latitude nor mean dbh predicted snag density in ten forest sites. The high spatial aggregation of snag and cavity resources in tropical dry forest may limit their availability, particularly for large-bodied cavity adopters, and highlights the importance of habitat heterogeneity in providing resources for primary and secondary cavity-nesters.

  20. DYNAMIC DENSITY-FUNCTIONAL THEORY FOR MICROPHASE SEPARATION KINETICS OF BLOCK-COPOLYMER MELTS

    NARCIS (Netherlands)

    FRAAIJE, JGEM

    1993-01-01

    In this paper, we describe a numerical method for the calculation of collective diffusion relaxation mechanisms in quenched block copolymer melts. The method entails the repeated calculation of two opposing fields-an external potential field U, conjugate to the density field rho, and an energetic

  1. Early and long-term impacts of browsing by roe deer in oak coppiced woods along a gradient of population density

    Directory of Open Access Journals (Sweden)

    Francesco Chianucci

    2015-01-01

    Full Text Available Over the last few decades, wild ungulate populations have exhibited relevant geographic and demographic expansion in most European countries; roe deer is amongst the most widespread ungulate species. The increasing roe deer densities have led to strong impact on forest regeneration; the problem has been recently recognized in coppice woods, a silvicultural system which is widespread in Italy, where it amounts to about 56% of the total national forested area.In this study we investigated the effect of roe deer browsing on the vegetative regeneration of Turkey oak few years after coppicing, along a gradient of roe deer density. A browsing index revealed that browsing impact was high at any given roe deer density but increased at higher density, with the browsing rate ranging from 65% to 79%. We also analyzed the long-term impact of browsing six and eleven years after coppicing under a medium roe deer density. Results indicated the early impact are not ephemeral but produced prolonged impacts through time, with an average reduction in volume of -57% and -41% six and eleven years after coppicing, respectively. Based on these results we proposed integrating browsing monitoring with roe deer density estimation to allow identifying ungulate densities which are compatible with silvicultural and forest management objectives. The proposed browsing index can be regarded as an effective management tool, on account of its simplicity and cost-effectiveness, being therefore highly suitable for routine, large scale monitoring of browsing impact.

  2. Laplacian-Level Kinetic Energy Approximations Based on the Fourth-Order Gradient Expansion: Global Assessment and Application to the Subsystem Formulation of Density Functional Theory.

    Science.gov (United States)

    Laricchia, Savio; Constantin, Lucian A; Fabiano, Eduardo; Della Sala, Fabio

    2014-01-14

    We tested Laplacian-level meta-generalized gradient approximation (meta-GGA) noninteracting kinetic energy functionals based on the fourth-order gradient expansion (GE4). We considered several well-known Laplacian-level meta-GGAs from the literature (bare GE4, modified GE4, and the MGGA functional of Perdew and Constantin (Phys. Rev. B 2007,75, 155109)), as well as two newly designed Laplacian-level kinetic energy functionals (L0.4 and L0.6). First, a general assessment of the different functionals is performed to test them for model systems (one-electron densities, Hooke's atom, and different jellium systems) and atomic and molecular kinetic energies as well as for their behavior with respect to density-scaling transformations. Finally, we assessed, for the first time, the performance of the different functionals for subsystem density functional theory (DFT) calculations on noncovalently interacting systems. We found that the different Laplacian-level meta-GGA kinetic functionals may improve the description of different properties of electronic systems, but no clear overall advantage is found over the best GGA functionals. Concerning the subsystem DFT calculations, the here-proposed L0.4 and L0.6 kinetic energy functionals are competitive with state-of-the-art GGAs, whereas all other Laplacian-level functionals fail badly. The performance of the Laplacian-level functionals is rationalized thanks to a two-dimensional reduced-gradient and reduced-Laplacian decomposition of the nonadditive kinetic energy density.

  3. Density-dependent regulation of brook trout population dynamics along a core-periphery distribution gradient in a central Appalachian watershed.

    Directory of Open Access Journals (Sweden)

    Brock M Huntsman

    Full Text Available Spatial population models predict strong density-dependence and relatively stable population dynamics near the core of a species' distribution with increasing variance and importance of density-independent processes operating towards the population periphery. Using a 10-year data set and an information-theoretic approach, we tested a series of candidate models considering density-dependent and density-independent controls on brook trout population dynamics across a core-periphery distribution gradient within a central Appalachian watershed. We sampled seven sub-populations with study sites ranging in drainage area from 1.3-60 km(2 and long-term average densities ranging from 0.335-0.006 trout/m. Modeled response variables included per capita population growth rate of young-of-the-year, adult, and total brook trout. We also quantified a stock-recruitment relationship for the headwater population and coefficients of variability in mean trout density for all sub-populations over time. Density-dependent regulation was prevalent throughout the study area regardless of stream size. However, density-independent temperature models carried substantial weight and likely reflect the effect of year-to-year variability in water temperature on trout dispersal between cold tributaries and warm main stems. Estimated adult carrying capacities decreased exponentially with increasing stream size from 0.24 trout/m in headwaters to 0.005 trout/m in the main stem. Finally, temporal variance in brook trout population size was lowest in the high-density headwater population, tended to peak in mid-sized streams and declined slightly in the largest streams with the lowest densities. Our results provide support for the hypothesis that local density-dependent processes have a strong control on brook trout dynamics across the entire distribution gradient. However, the mechanisms of regulation likely shift from competition for limited food and space in headwater streams to

  4. Formulation of a Lagrangian stochastic model of dispersion in the convective boundary layer with skewed turbulence conditions and vertical density gradient

    Science.gov (United States)

    cassiani, massimo; stohl, andreas; brioude, jerome

    2014-05-01

    The vertical gradient of air density has been included in a skewed probability density function formulation for turbulence in the convective boundary layer and the related drift term for Lagrangian stochastic particle modelling has been obtained based on the well-mixed condition. The formulation has been extended to include unsteady turbulence statistics. Tests were carried out to validate the model including consistency between forward and backward simulations and preservation of well-mixed state with unsteady conditions. The stationary state CBL drift term with density correction was incorporated in the FLEXPART/FLEXPART-WRF Lagrangian models. Currently only the steady state horizontally homogeneous drift term were included. To avoid numerical instability, using the steady homogenous drift in the presence of non-stationary and horizontally non-homogeneous conditions, a re-initialization procedure for particle velocity was used. The criteria for re-initialization and resulting errors were assessed.

  5. Measurement of deuterium density profiles in the H-mode steep gradient region using charge exchange recombination spectroscopy on DIII-D

    Science.gov (United States)

    Haskey, S. R.; Grierson, B. A.; Burrell, K. H.; Chrystal, C.; Groebner, R. J.; Kaplan, D. H.; Pablant, N. A.; Stagner, L.

    2016-11-01

    Recent completion of a thirty two channel main-ion (deuterium) charge exchange recombination spectroscopy (CER) diagnostic on the DIII-D tokamak [J. L. Luxon, Nucl. Fusion 42, 614 (2002)] enables detailed comparisons between impurity and main-ion temperature, density, and toroidal rotation. In a H-mode DIII-D discharge, these new measurement capabilities are used to provide the deuterium density profile, demonstrate the importance of profile alignment between Thomson scattering and CER diagnostics, and aid in determining the electron temperature at the separatrix. Sixteen sightlines cover the core of the plasma and another sixteen are densely packed towards the plasma edge, providing high resolution measurements across the pedestal and steep gradient region in H-mode plasmas. Extracting useful physical quantities such as deuterium density is challenging due to multiple photoemission processes. These challenges are overcome using a detailed fitting model and by forward modeling the photoemission using the FIDASIM code, which implements a comprehensive collisional radiative model.

  6. Cheap DECAF: Density Estimation for Cetaceans from Acoustic Fixed Sensors Using Separate, Non-Linked Devices

    Science.gov (United States)

    2014-06-29

    Centra de Geofisica Universidade de Lisboa Lisbon, Portugal. Award Number: N00014-11 -1 -0615 This project was a collaborative project between...submitted or in prep) from the University of St Andrews (UStA) and Universidade de Lisboa (UL) research effort. The work has also generated multiple...routines. Task 1.4. Use distance sampling software , Distance (Thomas et al. 2010), to estimate seasonal density, incorporating covariates affecting

  7. Is albumin gradient or fluid to serum albumin ratio better than the pleural fluid lactate dehydroginase in the diagnostic of separation of pleural effusion?

    Directory of Open Access Journals (Sweden)

    Basran Gurnam S

    2002-03-01

    Full Text Available Abstract Background To determine the accuracy of serum-effusion albumin gradient (SEAG and pleural fluid to serum albumin ratio (ALBR in the diagnostic separation of pleural effusion into transudate and exudate and to compare SEAG and ALBR with pleural fluid LDH (FLDH the most widely used test. Methods Data collected from 200 consecutive patients with a known cause of pleural effusion in a United Kingdom district general hospital. Results The median and inter quartile ranges (IQR for SEAG 93.5 (33.8 to 122.5 g/dl, ALBR 0.49 (0.42 to 0.62 and FLDH 98.5 IU/L(76.8 to 127.5 in transudates were significantly lower than the corresponding values for exudates 308.5 (171 to 692, 0.77 (0.63 to 0.85, 344 (216 to 695 all p Conclusion The discriminative value for SEAG and ALBR appears to be similar in the diagnostic separation of transudates and exudates. FLDH is a superior test compared to SEAG and ALBR.

  8. Density fractions versus size separates: Does physical fractionation isolate functional soil compartments?

    Science.gov (United States)

    Moni, Christophe; Hatton, Pierre-Joseph; Bernd, Zeller; Derrien, Delphine; Markus, Kleber

    2013-04-01

    Physical fractionation is a widely used methodology to study soil organic matter (SOM) dynamics, but concerns have been raised that the available fractionation methods do not well describe functional SOM pools. In the present communication we explore whether physical fractionation techniques isolate soil compartments meaningful and functionally relevant for the investigation of litter-derived nitrogen dynamics at the decadal time scale. We do so by performing aggregate density fractionation (ADF) and particle size-density fractionation (PSDF) on mineral soil samples from two European beech forests a decade after application of 15N labelled litter. Our approach consisted in representing the results of both fractionation procedures on a condensed scheme. First, principle component analysis (PCA) was used to reduce the set of organic matter related data (including C and N contents, C/N ratio, δ13C) to two independent variables or principal components (PC) that accounted for the majority of the data variability. The second step consisted of resolving the plane defined by the two principal components into contour maps of 15N label incorporation among physical fractions from both fractionation procedures. By doing this, dynamics of litter derived N transformation can be visualized as trajectories in the PCA plane. Both density and size-based fractionation methods suggested that litter-derived nitrogen became increasingly associated with the mineral phase as decomposition progressed, within aggregates and onto mineral surfaces. However, scientists investigating specific aspects of litter-derived nitrogen dynamics are pointed towards ADF when adsorption and aggregation processes are of interest, whereas PSDF is the superior tool to research the fate of particulate organic matter (POM). Some methodological caveats were observed mainly for the PSDF procedure, the most important one being that fine fractions isolated after sonication can not be linked to any defined

  9. Laplacian-level kinetic energy approximations based on the fourth-order gradient expansion: Global assessment and application to the subsystem formulation of density functional theory

    CERN Document Server

    Laricchia, S; Fabiano, E; Della Sala, F

    2014-01-01

    We test Laplacian-level meta-generalized gradient approximation (meta-GGA) non-interacting kinetic energy functionals based on the fourth-order gradient expansion (GE4). We consider several well known Laplacian-level meta-GGAs from literature (bare GE4, modified GE4, and the MGGA functional of Perdew and Constantin [Phys. Rev. B \\textbf{75},155109 (2007)]), as well as two newly designed Laplacian-level kinetic energy functionals (named L0.4 and L0.6). First, a general assessment of the different functionals is performed, testing them for model systems (one-electron densities, Hooke's atom and different jellium systems), atomic and molecular kinetic energies as well as for their behavior with respect to density-scaling transformations. Finally, we assess, for the first time, the performance of the different functionals for Subsystem Density Functional Theory (DFT) calculations on non-covalently interacting systems. We find that the different Laplacian-level meta-GGA kinetic functionals may improve the descript...

  10. Separation of carbon nanotubes into chirally enriched fractions

    Science.gov (United States)

    Doorn, Stephen K [Los Alamos, NM; Niyogi, Sandip [Los Alamos, NM

    2012-04-10

    A mixture of single-walled carbon nanotubes ("SWNTs") is separated into fractions of enriched chirality by preparing an aqueous suspension of a mixture of SWNTs and a surfactant, injecting a portion of the suspension on a column of separation medium having a density gradient, and centrifuging the column. In some embodiments, salt is added prior to centrifugation. In other embodiments, the centrifugation is performed at a temperature below room temperature. Fractions separate as colored bands in the column. The diameter of the separated SWNTs decreases with increasing density along the gradient of the column. The colored bands can be withdrawn separately from the column.

  11. A numerical study of non-perturbative corrections to the Chiral Separation Effect in quenched finite-density QCD

    CERN Document Server

    Puhr, M

    2016-01-01

    We use exactly chiral overlap lattice fermions to investigate the Chiral Separation Effect in quenched QCD at finite density. We employ a recently developed numerical method which allows, for the first time, to address the transport properties of exactly chiral lattice fermions with non-zero chemical potential. Studying the axial current along the external magnetic field, we find a linear dependence consistent with the free fermion result for topologically trivial gauge field configurations. However, for configurations with nontrivial topology in the confinement regime the axial current is strongly suppressed due to contributions of topological modes of the Dirac operator, which suggests that non-perturbative corrections to the Chiral Separation Effect have topological origin.

  12. Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: an efficient implementation for the density-fitted second-order Møller-Plesset perturbation theory.

    Science.gov (United States)

    Bozkaya, Uğur

    2014-09-28

    General analytic gradient expressions (with the frozen-core approximation) are presented for density-fitted post-HF methods. An efficient implementation of frozen-core analytic gradients for the second-order Møller-Plesset perturbation theory (MP2) with the density-fitting (DF) approximation (applying to both reference and correlation energies), which is denoted as DF-MP2, is reported. The DF-MP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the computational cost of single point analytic gradients with MP2 with the resolution of the identity approach (RI-MP2) [F. Weigend and M. Häser, Theor. Chem. Acc. 97, 331 (1997); R. A. Distasio, R. P. Steele, Y. M. Rhee, Y. Shao, and M. Head-Gordon, J. Comput. Chem. 28, 839 (2007)]. In the RI-MP2 method, the DF approach is used only for the correlation energy. Our results demonstrate that the DF-MP2 method substantially accelerate the RI-MP2 method for analytic gradient computations due to the reduced input/output (I/O) time. Because in the DF-MP2 method the DF approach is used for both reference and correlation energies, the storage of 4-index electron repulsion integrals (ERIs) are avoided, 3-index ERI tensors are employed instead. Further, as in case of integrals, our gradient equation is completely avoid construction or storage of the 4-index two-particle density matrix (TPDM), instead we use 2- and 3-index TPDMs. Hence, the I/O bottleneck of a gradient computation is significantly overcome. Therefore, the cost of the generalized-Fock matrix (GFM), TPDM, solution of Z-vector equations, the back transformation of TPDM, and integral derivatives are substantially reduced when the DF approach is used for the entire energy expression. Further application results show that the DF approach introduce negligible errors for closed-shell reaction energies and equilibrium bond lengths.

  13. Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: An efficient implementation for the density-fitted second-order Møller–Plesset perturbation theory

    Energy Technology Data Exchange (ETDEWEB)

    Bozkaya, Uğur, E-mail: ugur.bozkaya@atauni.edu.tr [Department of Chemistry, Atatürk University, Erzurum 25240, Turkey and Department of Chemistry, Middle East Technical University, Ankara 06800 (Turkey)

    2014-09-28

    General analytic gradient expressions (with the frozen-core approximation) are presented for density-fitted post-HF methods. An efficient implementation of frozen-core analytic gradients for the second-order Møller–Plesset perturbation theory (MP2) with the density-fitting (DF) approximation (applying to both reference and correlation energies), which is denoted as DF-MP2, is reported. The DF-MP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the computational cost of single point analytic gradients with MP2 with the resolution of the identity approach (RI-MP2) [F. Weigend and M. Häser, Theor. Chem. Acc. 97, 331 (1997); R. A. Distasio, R. P. Steele, Y. M. Rhee, Y. Shao, and M. Head-Gordon, J. Comput. Chem. 28, 839 (2007)]. In the RI-MP2 method, the DF approach is used only for the correlation energy. Our results demonstrate that the DF-MP2 method substantially accelerate the RI-MP2 method for analytic gradient computations due to the reduced input/output (I/O) time. Because in the DF-MP2 method the DF approach is used for both reference and correlation energies, the storage of 4-index electron repulsion integrals (ERIs) are avoided, 3-index ERI tensors are employed instead. Further, as in case of integrals, our gradient equation is completely avoid construction or storage of the 4-index two-particle density matrix (TPDM), instead we use 2- and 3-index TPDMs. Hence, the I/O bottleneck of a gradient computation is significantly overcome. Therefore, the cost of the generalized-Fock matrix (GFM), TPDM, solution of Z-vector equations, the back transformation of TPDM, and integral derivatives are substantially reduced when the DF approach is used for the entire energy expression. Further application results show that the DF approach introduce negligible errors for closed-shell reaction energies and equilibrium bond lengths.

  14. Comparison of Conjugate Gradient Density Matrix Search and Chebyshev Expansion Methods for Avoiding Diagonalization in Large-Scale Electronic Structure Calculations

    Science.gov (United States)

    Bates, Kevin R.; Daniels, Andrew D.; Scuseria, Gustavo E.

    1998-01-01

    We report a comparison of two linear-scaling methods which avoid the diagonalization bottleneck of traditional electronic structure algorithms. The Chebyshev expansion method (CEM) is implemented for carbon tight-binding calculations of large systems and its memory and timing requirements compared to those of our previously implemented conjugate gradient density matrix search (CG-DMS). Benchmark calculations are carried out on icosahedral fullerenes from C60 to C8640 and the linear scaling memory and CPU requirements of the CEM demonstrated. We show that the CPU requisites of the CEM and CG-DMS are similar for calculations with comparable accuracy.

  15. Ghost interaction correction in ensemble density-functional theory for excited states with and without range separation

    CERN Document Server

    Alam, Md Mehboob; Fromager, Emmanuel

    2016-01-01

    Ensemble density-functional theory (eDFT) suffers from the "ghost-interaction" (GI) error when approximate exchange-correlation functionals are used. In this letter, we present a rigorous GI correction (GIC) in the context of multideterminantal range-separated eDFT. The method, which relies on a double generalized adiabatic connection for ensembles, is equally applicable to standard Kohn-Sham eDFT. We show that GIC reduces the curvature of approximate ensemble energies drastically while providing considerably more accurate excitation energies, even for charge-transfer and double excitations.

  16. Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory.

    Science.gov (United States)

    Sissay, Adonay; Abanador, Paul; Mauger, François; Gaarde, Mette; Schafer, Kenneth J; Lopata, Kenneth

    2016-09-07

    Strong-field ionization and the resulting electronic dynamics are important for a range of processes such as high harmonic generation, photodamage, charge resonance enhanced ionization, and ionization-triggered charge migration. Modeling ionization dynamics in molecular systems from first-principles can be challenging due to the large spatial extent of the wavefunction which stresses the accuracy of basis sets, and the intense fields which require non-perturbative time-dependent electronic structure methods. In this paper, we develop a time-dependent density functional theory approach which uses a Gaussian-type orbital (GTO) basis set to capture strong-field ionization rates and dynamics in atoms and small molecules. This involves propagating the electronic density matrix in time with a time-dependent laser potential and a spatial non-Hermitian complex absorbing potential which is projected onto an atom-centered basis set to remove ionized charge from the simulation. For the density functional theory (DFT) functional we use a tuned range-separated functional LC-PBE*, which has the correct asymptotic 1/r form of the potential and a reduced delocalization error compared to traditional DFT functionals. Ionization rates are computed for hydrogen, molecular nitrogen, and iodoacetylene under various field frequencies, intensities, and polarizations (angle-dependent ionization), and the results are shown to quantitatively agree with time-dependent Schrödinger equation and strong-field approximation calculations. This tuned DFT with GTO method opens the door to predictive all-electron time-dependent density functional theory simulations of ionization and ionization-triggered dynamics in molecular systems using tuned range-separated hybrid functionals.

  17. Angle-dependent strong-field molecular ionization rates with tuned range-separated time-dependent density functional theory

    Science.gov (United States)

    Sissay, Adonay; Abanador, Paul; Mauger, François; Gaarde, Mette; Schafer, Kenneth J.; Lopata, Kenneth

    2016-09-01

    Strong-field ionization and the resulting electronic dynamics are important for a range of processes such as high harmonic generation, photodamage, charge resonance enhanced ionization, and ionization-triggered charge migration. Modeling ionization dynamics in molecular systems from first-principles can be challenging due to the large spatial extent of the wavefunction which stresses the accuracy of basis sets, and the intense fields which require non-perturbative time-dependent electronic structure methods. In this paper, we develop a time-dependent density functional theory approach which uses a Gaussian-type orbital (GTO) basis set to capture strong-field ionization rates and dynamics in atoms and small molecules. This involves propagating the electronic density matrix in time with a time-dependent laser potential and a spatial non-Hermitian complex absorbing potential which is projected onto an atom-centered basis set to remove ionized charge from the simulation. For the density functional theory (DFT) functional we use a tuned range-separated functional LC-PBE*, which has the correct asymptotic 1/r form of the potential and a reduced delocalization error compared to traditional DFT functionals. Ionization rates are computed for hydrogen, molecular nitrogen, and iodoacetylene under various field frequencies, intensities, and polarizations (angle-dependent ionization), and the results are shown to quantitatively agree with time-dependent Schrödinger equation and strong-field approximation calculations. This tuned DFT with GTO method opens the door to predictive all-electron time-dependent density functional theory simulations of ionization and ionization-triggered dynamics in molecular systems using tuned range-separated hybrid functionals.

  18. Desvio da proporção de sexo e da integridade do DNA dos espermatozóides bovinos centrifugados em gradientes de densidade contínuos Alteration of sex ratio and DNA integrity of bovine sperm centrifuged in continuous density gradients

    Directory of Open Access Journals (Sweden)

    Alberto Lopes Gusmão

    2010-03-01

    Full Text Available O objetivo, neste trabalho, foi verificar o desvio da proporção de sexo e a presença de fragmentação do DNA, pela técnica de TUNEL (“In situ terminal deoxinucleotidyl transferase mediated dUTP nick end labeling assay”, em espermatozoides bovinos centrifugados em gradientes de densidade de Percoll ou OptiPrep durante a separação espermática. Doses de sêmen de touros foram descongeladas, e cerca de 40 milhões de espermatozoides foram depositados sobre cada gradiente de densidade compostos por Percoll ou OptiPrep com três camadas entre 1.110g/mL e 1.123g/mL, em tubos de 15mL, em que permaneceram por 24h a 4°C antes da deposição dos espermatozoides. Os tubos foram centrifugados a 500xg por 15min a 22°C. Os sobrenadantes foram aspirados, e os sedimentos, recuperados para verificação da fragmentação do DNA pela técnica de TUNEL. Obteve-se um desvio dos embriões produzidos in vitro para fêmeas no gradiente de Percoll (62% de fêmeas, em relação aos grupos OptiPrep e Controle (47,1 e 48,7% de fêmeas, respectivamente. Não foi detectada fragmentação do DNA dos espermatozoides nas amostras centrifugadas, tanto no gradiente de Percoll quanto de OptiPrep. Dessa forma, foi possível realizar a sexagem espermática, com uma maior porcentagem de espermatozoides X do que o grupo controle, por meio de metodologia mais simples e sem provocar danos ao DNA dos espermatozoides.The objective of the present study was to verify the sex ratio and presence of DNA fragmentation by TUNEL technique (In situ terminal deoxinucleotidyl transferase mediated dUTP nick end labeling assay in bovine spermatozoa centrifuged in density gradients of Percoll or OptiPrep during the sperm separation. Approximately 40 million of frozen/thawed bovine spermatozoa were deposited on each density gradient composed of Percoll or OptiPrep with three layers ranging from 1.110g/mL to 1.123g/mL in polystyrene tubes of 15mL. The tubes were kept at 4°C for 24h before

  19. CENTRIFUGAL SEPARATORS

    Science.gov (United States)

    Skarstrom, C.

    1959-03-10

    A centrifugal separator is described for separating gaseous mixtures where the temperature gradients both longitudinally and radially of the centrifuge may be controlled effectively to produce a maximum separation of the process gases flowing through. Tbe invention provides for the balancing of increases and decreases in temperature in various zones of the centrifuge chamber as the result of compression and expansions respectively, of process gases and may be employed effectively both to neutralize harmful temperature gradients and to utilize beneficial temperaturc gradients within the centrifuge.

  20. Relativistically induced transparency acceleration of light ions by an ultrashort laser pulse interacting with a heavy-ion-plasma density gradient

    Science.gov (United States)

    Sahai, Aakash A.; Tsung, Frank S.; Tableman, Adam R.; Mori, Warren B.; Katsouleas, Thomas C.

    2013-10-01

    The relativistically induced transparency acceleration (RITA) scheme of proton and ion acceleration using laser-plasma interactions is introduced, modeled, and compared to the existing schemes. Protons are accelerated with femtosecond relativistic pulses to produce quasimonoenergetic bunches with controllable peak energy. The RITA scheme works by a relativistic laser inducing transparency [Akhiezer and Polovin, Zh. Eksp. Teor. Fiz 30, 915 (1956); Kaw and Dawson, Phys. FluidsPFLDAS0031-917110.1063/1.1692942 13, 472 (1970); Max and Perkins, Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.27.1342 27, 1342 (1971)] to densities higher than the cold-electron critical density, while the background heavy ions are stationary. The rising laser pulse creates a traveling acceleration structure at the relativistic critical density by ponderomotively [Lindl and Kaw, Phys. FluidsPFLDAS0031-917110.1063/1.1693437 14, 371 (1971); Silva , Phys. Rev. E1063-651X10.1103/PhysRevE.59.2273 59, 2273 (1999)] driving a local electron density inflation, creating an electron snowplow and a co-propagating electrostatic potential. The snowplow advances with a velocity determined by the rate of the rise of the laser's intensity envelope and the heavy-ion-plasma density gradient scale length. The rising laser is incrementally rendered transparent to higher densities such that the relativistic-electron plasma frequency is resonant with the laser frequency. In the snowplow frame, trace density protons reflect off the electrostatic potential and get snowplowed, while the heavier background ions are relatively unperturbed. Quasimonoenergetic bunches of velocity equal to twice the snowplow velocity can be obtained and tuned by controlling the snowplow velocity using laser-plasma parameters. An analytical model for the proton energy as a function of laser intensity, rise time, and plasma density gradient is developed and compared to 1D and 2D PIC OSIRIS [Fonseca , Lect. Note Comput. Sci.9783

  1. On the universality of the long-/short-range separation in multiconfigurational density-functional theory

    DEFF Research Database (Denmark)

    Fromager, Emmanuel; Toulouse, Julien; Jensen, Hans Jørgen Aagaard

    2007-01-01

    ) adequately which, on the other hand, can be described in wave-function theory (WFT), for example, with a multiconfigurational self-consistent field (MCSCF) model. It is therefore of high interest to develop a hybrid model which combines the best of both WFT and DFT approaches. The merge of WFT and DFT can......In many cases, the dynamic correlation can be calculated quite accurately and at a fairly low computational cost in Kohn-Sham density-functional theory (KS-DFT), using current standard approximate functionals. However, in general, KS-DFT does not treat static correlation effects (near degeneracy...... be achieved by splitting the two-electron interaction into long-range and short-range parts. The long-range part is then treated by WFT and the short-range part by DFT. In this work the authors consider the so-called "erf" long-range interaction erf(µ r12) / r12, which is based on the standard error function...

  2. Assessment of density functional theory optimized basis sets for gradient corrected functionals to transition metal systems: the case of small Nin (n

    Science.gov (United States)

    López Arvizu, Gregorio; Calaminici, Patrizia

    2007-05-21

    Density functional calculations have been performed for small nickel clusters, Ni(n), Ni(n) (+), and Ni(n)(-) (ntheory approach. Newly developed nickel all-electron basis sets optimized for generalized gradient approximation (GGA) as well as an all-electron basis set optimized for the local density approximation were employed. For both neutral and charged systems, several isomers and different multiplicities were studied in order to determine the lowest energy structures. A vibrational analysis was performed in order to characterize these isomers. Structural parameters, harmonic frequencies, binding energies, ionization potentials, and electron affinities are reported. This work shows that the employed GGA basis sets for the nickel atom are important for the correct prediction of the ground state structures of small nickel clusters and that the structural assignment of these systems can be performed, with a good resolution, over the ionization potential.

  3. 密度梯度碳/碳复合材料的制备及性能%Preparation and Properties of Density Gradient Carbon/Carbon Composites

    Institute of Scientific and Technical Information of China (English)

    陈强; 张守阳

    2011-01-01

    采用强制流动热梯度化学气相渗透法在1000~1250℃制备了密度梯度碳/碳复合材料;借助三点弯曲试验和激光闪烁法测定了复合材料的弯曲性能与导热系数,用偏光显微镜及扫描电子显微镜观察了基体热解碳的组织结构及断口形貌。结果表明:该复合材料上层的最大密度为1.65g·cm^-3,下层的最小密度为1.10g·cm^-3,具有明显的密度梯度;复合材料的密度越大,抗弯强度越高;其导热系数也随密度的增加而增大;沉积温度是影响基体热解碳组织的主要因素,高温有利于粗糙层热解碳的生成,而低温有利于光滑层热解碳的生成。%Density gradient carbon/carbon composites were infiltrated using forced flow thermal gradient chemical vapor infiltration in the range of 1 000- 1 250℃. Flexural strength and thermal conductivity were determined by 3 point bending test and laser flashing method. Mierostructure of deposited pyrolytic carbon and morphology of fracture surface were observed by polarized light microscopy and scanning electron microscopy. The results show that maximal density of upper part of the composites was 1.65 g · cm^-3 , while miniumum density of bottom part was 1. 10 g ·em^-3 , and obvions density gradient was found. Flexural strength and coefficient of thermal conductivity increased with the increase of density of the composites. The deposition temperature had a great impact on the mierostrueture of the pyolytic carbon. A higher temperature was favourable for the formation of rough layer hydrocarbon, while a lower temperature was favourable for the formation of smooth layer hydrocarbon.

  4. Lagrangian Stochastic Modelling of Dispersion in the Convective Boundary Layer with Skewed Turbulence Conditions and a Vertical Density Gradient: Formulation and Implementation in the FLEXPART Model

    Science.gov (United States)

    Cassiani, Massimo; Stohl, Andreas; Brioude, Jerome

    2015-03-01

    A correction for the vertical gradient of air density has been incorporated into a skewed probability density function formulation for turbulence in the convective boundary layer. The related drift term for Lagrangian stochastic dispersion modelling has been derived based on the well-mixed condition. Furthermore, the formulation has been extended to include unsteady turbulence statistics and the related additional component of the drift term obtained. These formulations are an extension of the drift formulation reported by Luhar et al. (Atmos Environ 30:1407-1418, 1996) following the well-mixed condition proposed by Thomson (J Fluid Mech 180:529-556, 1987). Comprehensive tests were carried out to validate the formulations including consistency between forward and backward simulations and preservation of a well-mixed state with unsteady conditions. The stationary state CBL drift term with density correction was incorporated into the FLEXPART and FLEXPART-WRF Lagrangian models, and included the use of an ad hoc transition function that modulates the third moment of the vertical velocity based on stability parameters. Due to the current implementation of the FLEXPART models, only a steady-state horizontally homogeneous drift term could be included. To avoid numerical instability, in the presence of non-stationary and horizontally inhomogeneous conditions, a re-initialization procedure for particle velocity was used. The criteria for re-initialization and resulting errors were assessed for the case of non-stationary conditions by comparing a reference numerical solution in simplified unsteady conditions, obtained using the non-stationary drift term, and a solution based on the steady drift with re-initialization. Two examples of "real-world" numerical simulations were performed under different convective conditions to demonstrate the effect of the vertical gradient in density on the particle dispersion in the CBL.

  5. On the errors of local density (LDA) and generalized gradient (GGA) approximations to the Kohn-Sham potential and orbital energies

    Science.gov (United States)

    Gritsenko, O. V.; Mentel, Ł. M.; Baerends, E. J.

    2016-05-01

    In spite of the high quality of exchange-correlation energies Exc obtained with the generalized gradient approximations (GGAs) of density functional theory, their xc potentials vxc are strongly deficient, yielding upshifts of ca. 5 eV in the orbital energy spectrum (in the order of 50% of high-lying valence orbital energies). The GGAs share this deficiency with the local density approximation (LDA). We argue that this error is not caused by the incorrect long-range asymptotics of vxc or by self-interaction error. It arises from incorrect density dependencies of LDA and GGA exchange functionals leading to incorrect (too repulsive) functional derivatives (i.e., response parts of the potentials). The vxc potential is partitioned into the potential of the xc hole vxchole (twice the xc energy density ɛxc), which determines Exc, and the response potential vresp, which does not contribute to Exc explicitly. The substantial upshift of LDA/GGA orbital energies is due to a too repulsive LDA exchange response potential vxresp L D A in the bulk region. Retaining the LDA exchange hole potential plus the B88 gradient correction to it but replacing the response parts of these potentials by the model orbital-dependent response potential vxresp G L L B of Gritsenko et al. [Phys. Rev. A 51, 1944 (1995)], which has the proper step-wise form, improves the orbital energies by more than an order of magnitude. Examples are given for the prototype molecules: dihydrogen, dinitrogen, carbon monoxide, ethylene, formaldehyde, and formic acid.

  6. Purification of equine chorionic gonadotropin (eCG) using magnetic ion exchange adsorbents in combination with high-gradient magnetic separation.

    Science.gov (United States)

    Müller, Christine; Heidenreich, Elena; Franzreb, Matthias; Frankenfeld, Katrin

    2015-01-01

    Current purification of the glycoprotein equine chorionic gonadotropin (eCG) from horse serum includes consecutive precipitation steps beginning with metaphosphoric acid pH fractionation, two ethanol precipitation steps, and dialysis followed by a numerous of fixed-bed chromatography steps up to the specific activity required. A promising procedure for a more economic purification procedure represents a simplified precipitation process requiring only onethird of the solvent, followed by the usage of magnetic ion exchange adsorbents employed together with a newly designed 'rotor-stator' type High Gradient Magnetic Fishing (HGMF) system for large-scale application, currently up to 100 g of magnetic adsorbents. Initially, the separation process design was optimized for binding and elution conditions for the target protein in mL scale. Subsequently, the magnetic filter for particle separation was characterized. Based on these results, a purification process for eCG was designed consisting of (i) pretreatment of the horse serum; (ii) binding of the target protein to magnetic ion exchange adsorbents in a batch reactor; (iii) recovery of loaded functionalized adsorbents from the pretreated solution using HGMF; (iv) washing of loaded adsorbents to remove unbound proteins; (v) elution of the target protein. Finally, the complete HGMF process was automated and conducted with either multiple single-cycles or multicycle operation of four sequential cycles, using batches of pretreated serum of up to 20 L. eCG purification with yields of approximately 53% from single HGMF cycles and up to 80% from multicycle experiments were reached, with purification and concentration factors of around 2,500 and 6.7, respectively.

  7. Comparative validation using quantitative real-time PCR (qPCR and conventional PCR of bovine semen centrifuged in continuous density gradient

    Directory of Open Access Journals (Sweden)

    M.V. Resende

    2011-06-01

    Full Text Available The objective of the present study was to determine the sperm enrichment with X-bearing spermatozoa, after one centrifugation in a Percoll or OptiPrep continuous density gradient, using quantitative real-time polymerase chain reaction (qPCR of sperm DNA and resultant in vitro-produced bovine embryos by PCR. Frozen/thawed sperm was layered on density gradients and the tubes were centrifuged. Supernatants were gently aspirated and the sperm recovered from the bottom of the tubes. Cleavage and blastocyst rates were determined through in vitro production of embryos and PCR was performed to identify the embryos' genetic sex. A difference in blastocyst rate was found in the Percoll treatment compared to OptiPrep (P<0.05. The percentage of female embryos in the Percoll and OptiPrep groups was 62.0% and 47.1%, respectively. These results were confirmed by qPCR of spermatozoa DNA and underestimation was seen only in the Percoll group. It was possible to sexing sperm using simple approach.

  8. Electron cyclotron maser emission mode coupling to the z-mode on a longitudinal density gradient in the context of solar type III bursts

    CERN Document Server

    Pechhacker, Roman

    2012-01-01

    A beam of super-thermal, hot electrons was injected into maxwellian plasma with a density gradient along a magnetic field line. 1.5D particle-in-cell simulations were carried out which established that the EM emission is produced by the perpendicular component of the beam injection momentum. The beam has a positive slope in the distribution function in perpendicular momentum phase space, which is the characteristic feature of a cyclotron maser. The cyclotron maser in the overdense plasma generates emission at the electron cyclotron frequency. The frequencies of generated waves were too low to propagate away from the injection region, hence the wavelet transform shows a pulsating wave generation and decay process. The intensity pulsation frequency is twice the relativistic cyclotron frequency. Eventually, a stable wave packet formed and could mode couple on the density gradient to reach frequencies of the order of the plasma frequency, that allowed for propagation. The emitted wave is likely to be a z-mode wav...

  9. Density-Gradient Mediated Band Extraction of Leukocytes from Whole Blood Using Centrifugo-Pneumatic Siphon Valving on Centrifugal Microfluidic Discs.

    Directory of Open Access Journals (Sweden)

    David J Kinahan

    Full Text Available Here we present retrieval of Peripheral Blood Mononuclear Cells by density-gradient medium based centrifugation for subsequent analysis of the leukocytes on an integrated microfluidic "Lab-on-a-Disc" cartridge. Isolation of white blood cells constitutes a critical sample preparation step for many bioassays. Centrifugo-pneumatic siphon valves are particularly suited for blood processing as they function without need of surface treatment and are 'low-pass', i.e., holding at high centrifugation speeds and opening upon reduction of the spin rate. Both 'hydrostatically' and 'hydrodynamically' triggered centrifugo-pneumatic siphon valving schemes are presented. Firstly, the geometry of the pneumatic chamber of hydrostatically primed centrifugo-pneumatic siphon valves is optimised to enable smooth and uniform layering of blood on top of the density-gradient medium; this feature proves to be key for efficient Peripheral Blood Mononuclear Cell extraction. A theoretical analysis of hydrostatically primed valves is also presented which determines the optimum priming pressure for the individual valves. Next, 'dual siphon' configurations for both hydrostatically and hydrodynamically primed centrifugo-pneumatic siphon valves are introduced; here plasma and Peripheral Blood Mononuclear Cells are extracted through a distinct siphon valve. This work represents a first step towards enabling on disc multi-parameter analysis. Finally, the efficiency of Peripheral Blood Mononuclear Cells extraction in these structures is characterised using a simplified design. A microfluidic mechanism, which we termed phase switching, is identified which affects the efficiency of Peripheral Blood Mononuclear Cell extraction.

  10. Two variables dominating the retention of intact proteins under gradient elution with simultaneous ultrafast high-resolution separation by hydrophobic interaction chromatography.

    Science.gov (United States)

    Geng, Xindu; Jia, Xiaodan; Liu, Peng; Wang, Fei; Yang, Xiaoming

    2015-10-07

    The retention of intact proteins under gradient elution in hydrophobic interaction chromatography (HIC) was found to be governed by two variables, the steady region (SR) and the migration region (MR). In the SR, the proteins are immobilized by the strong interactions with the stationary phase such that the retention time is independent of the column length. In the MR, the proteins also interact with the stationary phase, but they move normally, thus the retention time depends on their partition coefficients and the column length. The SR can be used as an operation space (OP) for high-throughput protein analysis by 1D-LC using short columns at high flow rates to maintain a high resolution. The OP can also be employed for all assisted operations in online 2D-LC. Based on the steady region/migration region optimization strategy developed in this study, five successive complete separations of seven intact proteins were performed in a HIC cake in less than 5 min, and a crude extract of ribonuclease A from bovine pancreas was purified using online 2D-LC to 95.8% purity with 93.2% mass recovery in 45 min. This approach can be used to expedite the purification of drug-target proteins and should therefore be of interest to the pharmaceutical industry.

  11. Is albumin gradient or fluid to serum albumin ratio better than the pleural fluid lactate dehydroginase in the diagnostic of separation of pleural effusion?

    Science.gov (United States)

    Joseph, Jose; Badrinath, Padmanabhan; Basran, Gurnam S; Sahn, Steven A

    2002-01-01

    Background To determine the accuracy of serum-effusion albumin gradient (SEAG) and pleural fluid to serum albumin ratio (ALBR) in the diagnostic separation of pleural effusion into transudate and exudate and to compare SEAG and ALBR with pleural fluid LDH (FLDH) the most widely used test. Methods Data collected from 200 consecutive patients with a known cause of pleural effusion in a United Kingdom district general hospital. Results The median and inter quartile ranges (IQR) for SEAG 93.5 (33.8 to 122.5) g/dl, ALBR 0.49 (0.42 to 0.62) and FLDH 98.5 IU/L(76.8 to 127.5) in transudates were significantly lower than the corresponding values for exudates 308.5 (171 to 692), 0.77 (0.63 to 0.85), 344 (216 to 695) all p transudates and exudates. FLDH is a superior test compared to SEAG and ALBR. PMID:11914151

  12. Density gradient multilayered polymerization (DGMP): a novel technique for creating multi-compartment, customizable scaffolds for tissue engineering.

    Science.gov (United States)

    Joshi-Barr, Shivanjali; Karpiak, Jerome V; Ner, Yogesh; Wen, Jessica H; Engler, Adam J; Almutairi, Adah

    2013-02-12

    Complex tissue culture matrices, in which types and concentrations of biological stimuli (e.g. growth factors, inhibitors, or small molecules) or matrix structure (e.g. composition, concentration, or stiffness of the matrix) vary over space, would enable a wide range of investigations concerning how these variables affect cell differentiation, migration, and other phenomena. The major challenge in creating layered matrices is maintaining the structural integrity of layer interfaces without diffusion of individual components from each layer. Current methodologies to achieve this include photopatterning, lithography, sequential functionalization5, freeze drying, microfluidics, or centrifugation, many of which require sophisticated instrumentation and technical skills. Others rely on sequential attachment of individual layers, which may lead to delamination of layers. DGMP overcomes these issues by using an inert density modifier such as iodixanol to create layers of varying densities. Since the density modifier can be mixed with any prepolymer or bioactive molecule, DGMP allows each scaffold layer to be customized. Simply varying the concentration of the density modifier prevents mixing of adjacent layers while they remain aqueous. Subsequent single step polymerization gives rise to a structurally continuous multilayered scaffold, in which each layer has distinct chemical and mechanical properties. The density modifier can be easily removed with sufficient rinsing without perturbation of the individual layers or their components. This technique is therefore well suited for creating hydrogels of various sizes, shapes, and materials. A protocol for fabricating a 2D-polyethylene glycol (PEG) gel, in which alternating layers incorporate RGDS-350, is outlined below. We use PEG because it is biocompatible and inert. RGDS, a cell adhesion peptide, is used to demonstrate spatial restriction of a biological cue, and the conjugation of a fluorophore (Alexa Fluor 350) enables

  13. How Do Vegetation Density and Transportation Network Density Affect Crime across an Urban Central-Peripheral Gradient? A Case Study in Kitchener—Waterloo, Ontario

    Directory of Open Access Journals (Sweden)

    Yikang Du

    2016-07-01

    Full Text Available The relationship between vegetation, transportation networks, and crime has been under debate. Vegetation has been positively correlated with fear of crime; however, the actual correlation between vegetation and occurrences of crime is uncertain. Transportation networks have also been connected with crime occurrence but their impact on crime tends to vary over different circumstances. By conducting spatial analyses, this study explores the associations between crime and vegetation as well as transportation networks in Kitchener-Waterloo. Further, geographically weighted regression modeling and a dummy urban variable representing the urban center/other urban areas were employed to explore the associations across an urban central-peripheral gradient. Associations were analyzed for crimes against persons and crimes against property for four specific crime types (assaults, vehicle theft, sex offences, and drugs. Results suggest that vegetation has a reverse association with crimes against persons and crimes against property while transportation networks have a positive relationship with these two types of crime. Additionally, vegetation can be a deterrent to vehicle theft crime and drugs, while transportation networks can be a facilitator of drug-related crimes. Besides, these two associations appear stronger in the urban center compared to the urban periphery.

  14. The urban land price and its regional differences in China based on density gradient%基于密度梯度曲线的中国城市地价特征及区域差异

    Institute of Scientific and Technical Information of China (English)

    杨奎奇; 汪应宏; 张绍良; 赵清

    2012-01-01

    选取超大型综合性城市以外的全国不同区域和职能类型的33个城市为样本,采用地价密度梯度曲线模型,对其进行曲线回归分析,得出各城市商业、住宅地价的中心值和曲率系数。分析发现现阶段我国城市地价密度梯度曲线总体上符合城市地价变动的一般规律:城市中心地价与城市规模呈正相关关系;曲率系数与城市规模呈负相关关系;商业地价曲线曲率系数比住宅地价曲线曲率系数高。再此基础上对地价梯度曲线曲率系数进行聚类分析,总结出中国城市地价的不同类型特征。另外通过对我国东中西部30个城市样本的地价梯度系数的统计分析,从空间差异角度发现三类地区的地价呈现不同特征规律。%Taking 33 cities from different regions and categories in China as research ob- jects, this essay carries out land price curve regression analysis to simulate their land price density gradient. Then some coefficients of density gradient curve of urban commercial and residential land price are obtained. According to these coefficients, the phenomenon of Chinese urban land price density curves adapting to the normal rules of market economic countries is observed through analysis, which indicates that the city land price can reflect the true value of land, the main method of allocation of land resource in China through 30 years of marketing reform. Moreover, the conclusion that land price density gradients have different categories in China has been drawn based on clustering analysis of commer- cial and residential curve curvature. According to the commercial land price curve curva- ture and residential land price curvature, the cities in China except multi-center cities such as Beijing and Shanghai, are identified into four types. Every type of city is corresponding separately to different levels of development, city capacity, economic scale and parameters of land price curvature

  15. Correlations Between the Gradient of Contrast Density, Evaluated by Cardio CT, and Functional Significance of Coronary Artery Stenosis

    Directory of Open Access Journals (Sweden)

    Orzan Marius

    2016-06-01

    Full Text Available Background: Assessment of the hemodynamic significance of a coronary artery stenosis is a challenging task, being extremely important for the establishment of indication for revascularization in atherosclerotic coronary artery stenosis. The aim of this study was to evaluate the role of a new marker reflecting the functional significance of a coronary artery stenosis, represented by the attenuation degree of contrast density along the stenosis by Coronary CT.

  16. Linking Soil Physical Parameters Along a Density Gradient in a Loess-Soil Long-Term Experiment

    DEFF Research Database (Denmark)

    Eden, Marie; Møldrup, Per; Schjønning, Per

    2012-01-01

    It is important to understand the impact of texture and organic carbon (OC) on soil structure development. Only few studies investigated this for silt-dominated soils. In this study, soil physical properties were determined on samples from a controlled experiment (Static Fertilization Experiment...... coefficient data; the model pore-connectivity factor was fairly constant, whereas the water blockage factor was markedly different. Water and air parameters both implied that change in bulk density was the major driver for diffusive and convective parameters in the experiment....

  17. Additives for immobilized pH gradient two-dimensional separation of particulate material: comparison between commercial and new synthetic detergents.

    Science.gov (United States)

    Gianazza, E; Rabilloud, T; Quaglia, L; Caccia, P; Astrua-Testori, S; Osio, L; Grazioli, G; Righetti, P G

    1987-09-01

    We describe the synthesis of two detergents, L and A15, whose performances as solubilizing agents and as additives in the first-dimension step of a two-dimensional separation are compared with those of some commercial compounds, i.e., Nonidet P-40, 3-[(3-cholamidopropyl)dimethylammonio]propanesulfonate(Chaps), and sulfobetaine, on three membrane protein preparations: rat RBC ghosts, beef kidney microvilli, and spinach thylakoids. L is 3-]3-dodecylamidoprophylcbdimethylammonio propane-1-sulfonate; owing to the substitution of a dodecylamido for the dodecyl residue of SB 3-12, the concentration of urea compatible with 2% detergent increases from 4.5 M for the parent molecule up to 7 M. With all three biological samples on which the panel of different detergents has been tested in parallel, L + urea scores as the most effective solubilization medium. On red blood cells a notable qualitative difference is observed with the selective extraction by L as well as by N-dodecyl-N,N-dimethylammonio-3-propanesulfonate of a major protein (pI = ca. 5.5, Mr = ca. 100,000). A15 is derived from a tertiary amine, with one alkylic substituent (either C11 or C13) and two poly(ethylene oxide) tails (totaling 15 ethoxy residues), which is reacted with propane sultone. Approximately 30% of the product corresponds to the N-adduct and is a truly zwitterionic detergent, while 60% is an O-derivative and still contains a titratable amino group (with a pK of 7.2). A15 can thus be used for isoelectric focusing on immobilized pH gradients, as in this work, but would not be compatible with carrier ampholyte isoelectric focusing.(ABSTRACT TRUNCATED AT 250 WORDS)

  18. The Effect of Pre-Impact Porosity and Vertical Density Gradients on the Gravity Signature of Lunar Craters

    Science.gov (United States)

    Milbury, Colleen; Johnson, Brandon C.; Melosh, H. Jay; Collins, Gareth S.; Blair, David M.; Soderblom, Jason M.; Nimmo, Francis; Phillips, Roger J.; Bierson, Carver J.; Zuber, Maria T.

    2015-11-01

    overall porosity, but higher vertical gradients, giving craters within SPA more-negative BAs than those within the highlands crust. These simulations demonstrate that the BA and porosities reported here are valid for determining general trends only.

  19. A density functional study of (17)O, (14)N and (2)H electric field gradient tensors in the real crystalline structure of alpha-glycine.

    Science.gov (United States)

    Behzadi, Hadi; Hadipour, Nasser L; Mirzaei, Mahmoud

    2007-01-01

    A density functional theory (DFT) study was carried out to calculate (17)O, (14)N and (2)H electric field gradient (EFG) tensors in accurate neutron diffraction structures of alpha-glycine at 288 and 427 K. B3LYP is the used method and 6-311+G(*) and 6-311++G(**) are the basis sets in the calculations of EFG tensors at the sites of (17)O, (14)N and (2)H nuclei in the monomer and the octameric cluster of alpha-glycine at two temperatures. Quadrupole coupling constants and asymmetry parameters are the converted parameters of calculated EFG tensors to experimentally measurable ones. The calculated results of monomer and the target molecule in octameric cluster reveal that hydrogen-bonding interactions play an important role in the crystalline structure of alpha-glycine where the results of the target molecule in octameric cluster are in good agreement with the experiments.

  20. 3D imaging of flow patterns in an internally-pumped microfluidic device: redox magnetohydrodynamics and electrochemically-generated density gradients.

    Science.gov (United States)

    Gao, Feng; Kreidermacher, Adam; Fritsch, Ingrid; Heyes, Colin D

    2013-05-07

    Redox magnetohydrodynamics (MHD) is a promising technique for developing new electrochemical-based microfluidic flow devices with unique capabilities, such as easily switching flow direction and adjusting flow speeds and flow patterns as well as avoiding bubble formation. However, a detailed description of all the forces involved and predicting flow patterns in confined geometries is lacking. In addition to redox-MHD, density gradients caused by the redox reactions also play important roles. Flow in these devices with small fluid volumes has mainly been characterized by following microbead motion by optical microscopy either by particle tracking velocimetry (PTV) or by processing the microbead images by particle image velocimetry (PIV) software. This approach has limitations in spatial resolution and dimensionality. Here we use fluorescence correlation spectroscopy (FCS) to quantitatively and accurately measure flow speeds and patterns in the ~5-50 μm/s range in redox-MHD-based microfluidic devices, from which 3D flow maps are obtained with a spatial resolution down to 2 μm. The 2 μm spatial resolution flow speeds map revealed detailed flow profiles during redox-MHD in which the velocity increases linearly from above the electrode and reaches a plateau across the center of the cell. By combining FCS and video-microscopy (with PTV and PIV processing approaches), we are able to quantify a vertical flow of ~10 μm/s above the electrodes as a result of density gradients caused by the redox reactions and follow convection flow patterns. Overall, combining FCS, PIV, and PTV analysis of redox-MHD is a powerful combination to more thoroughly characterize the underlying forces in these promising microfluidic devices.

  1. Ecohydrologic controls on vegetation density and evapotranspiration partitioning across the climatic gradients of the central United States

    Directory of Open Access Journals (Sweden)

    J. P. Kochendorfer

    2008-03-01

    Full Text Available The soil-water balance and plant water use are investigated over a domain encompassing the central United States using the Statistical-Dynamical Ecohydrology Model (SDEM. The seasonality in the model and its use of the two-component Shuttleworth-Wallace canopy model allow for application of an ecological optimality hypothesis in which vegetation density, in the form of peak green leaf area index (LAI, is maximized, within upper and lower bounds, such that, in a typical season, soil moisture in the latter half of the growing season just reaches the point at which water stress is experienced. Another key feature of the SDEM is that it partitions evapotranspiration into transpiration, evaporation from canopy interception, and evaporation from the soil surface. That partitioning is significant for the soil-water balance because the dynamics of the three processes are very different. The partitioning and the model-determined peak in green LAI are validated based on observations in the literature, as well as through the calculation of water-use efficiencies with modeled transpiration and large-scale estimates of grassland productivity. Modeled-determined LAI are seen to be at least as accurate as the unaltered satellite-based observations on which they are based. Surprising little dependence on climate and vegetation type is found for the percentage of total evapotranspiration that is soil evaporation, with most of the variation across the study region attributable to soil texture and the resultant differences in vegetation density. While empirical evidence suggests that soil evaporation in the forested regions of the most humid part of the study region is somewhat overestimated, model results are in excellent agreement with observations from croplands and grasslands. The implication of model results for water-limited vegetation is that the higher (lower soil moisture content in wetter (drier climates is more-or-less completely offset by the greater

  2. Nonlinear electronic excitations in crystalline solids using meta-generalized gradient approximation and hybrid functional in time-dependent density functional theory

    Science.gov (United States)

    Sato, Shunsuke A.; Taniguchi, Yasutaka; Shinohara, Yasushi; Yabana, Kazuhiro

    2015-12-01

    We develop methods to calculate electron dynamics in crystalline solids in real-time time-dependent density functional theory employing exchange-correlation potentials which reproduce band gap energies of dielectrics; a meta-generalized gradient approximation was proposed by Tran and Blaha [Phys. Rev. Lett. 102, 226401 (2009)] (TBm-BJ) and a hybrid functional was proposed by Heyd, Scuseria, and Ernzerhof [J. Chem. Phys. 118, 8207 (2003)] (HSE). In time evolution calculations employing the TB-mBJ potential, we have found it necessary to adopt the predictor-corrector step for a stable time evolution. We have developed a method to evaluate electronic excitation energy without referring to the energy functional which is unknown for the TB-mBJ potential. For the HSE functional, we have developed a method for the operation of the Fock-like term in Fourier space to facilitate efficient use of massive parallel computers equipped with graphic processing units. We compare electronic excitations in silicon and germanium induced by femtosecond laser pulses using the TB-mBJ, HSE, and a simple local density approximation (LDA). At low laser intensities, electronic excitations are found to be sensitive to the band gap energy: they are close to each other using TB-mBJ and HSE and are much smaller in LDA. At high laser intensities close to the damage threshold, electronic excitation energies do not differ much among the three cases.

  3. Nonlinear electronic excitations in crystalline solids using meta-generalized gradient approximation and hybrid functional in time-dependent density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Shunsuke A. [Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8571 (Japan); Taniguchi, Yasutaka [Center for Computational Science, University of Tsukuba, Tsukuba 305-8571 (Japan); Department of Medical and General Sciences, Nihon Institute of Medical Science, 1276 Shimogawara, Moroyama-Machi, Iruma-Gun, Saitama 350-0435 (Japan); Shinohara, Yasushi [Max Planck Institute of Microstructure Physics, 06120 Halle (Germany); Yabana, Kazuhiro [Graduate School of Pure and Applied Sciences, University of Tsukuba, Tsukuba 305-8571 (Japan); Center for Computational Science, University of Tsukuba, Tsukuba 305-8571 (Japan)

    2015-12-14

    We develop methods to calculate electron dynamics in crystalline solids in real-time time-dependent density functional theory employing exchange-correlation potentials which reproduce band gap energies of dielectrics; a meta-generalized gradient approximation was proposed by Tran and Blaha [Phys. Rev. Lett. 102, 226401 (2009)] (TBm-BJ) and a hybrid functional was proposed by Heyd, Scuseria, and Ernzerhof [J. Chem. Phys. 118, 8207 (2003)] (HSE). In time evolution calculations employing the TB-mBJ potential, we have found it necessary to adopt the predictor-corrector step for a stable time evolution. We have developed a method to evaluate electronic excitation energy without referring to the energy functional which is unknown for the TB-mBJ potential. For the HSE functional, we have developed a method for the operation of the Fock-like term in Fourier space to facilitate efficient use of massive parallel computers equipped with graphic processing units. We compare electronic excitations in silicon and germanium induced by femtosecond laser pulses using the TB-mBJ, HSE, and a simple local density approximation (LDA). At low laser intensities, electronic excitations are found to be sensitive to the band gap energy: they are close to each other using TB-mBJ and HSE and are much smaller in LDA. At high laser intensities close to the damage threshold, electronic excitation energies do not differ much among the three cases.

  4. 用高梯度磁分离技术控制钢铁企业颗粒物的分析%Discussion on application of high gradient magnetic separation technology for particulate matter control in steel industry

    Institute of Scientific and Technical Information of China (English)

    赵亮; 邓堃; 孙文强; 李小玲; 张革; 黄健

    2016-01-01

    According to the existing research results all over the world, the magnetic properties of iron and steel enterprises particles was firstly illustrated, then the basic principle of high gradient magnetic separation technology and the influence factors of gradient magnetic separation effect were expounded, finally the existing problems and development prospects of the high gradient magnetic separation tech-nology used in iron and steel enterprises particles were explained, especially for the feasibility of PM10 and PM2.5 control.%文章结合国内外现有的研究成果,首先说明钢铁企业颗粒物的磁特性,其次阐述高梯度磁分离技术的基本原理,分析梯度磁场分离效果的影响因素,最后说明了高梯度磁分离技术用于钢铁企业颗粒物,尤其是对于PM10和PM2.5控制的可行性,存在问题以及发展前景。

  5. The Effect of Pre-Impact Porosity and Vertical Density Gradients on the Gravity Signature of Lunar Craters as Seen by GRAIL

    Science.gov (United States)

    Milbury, C.; Johnson, B. C.; Melosh, H., IV; Collins, G. S.; Blair, D. M.; Soderblom, J. M.; Nimmo, F.; Bierson, C. J.; Phillips, R. J.; Zuber, M. T.

    2015-12-01

    As a result of NASA's dual spacecraft Gravity Recovery And Interior Laboratory (GRAIL) mission [Zuber et al., 2013; doi:10.1126/science.1231507], we now know that the lunar crust is highly porous and that the porosity varies laterally [Wieczorek et al., 2013; doi:10.1126/science.1231530] and vertically [Besserer et al., 2014; doi:10.1002/2014GL060240]. Analysis of complex craters located within the lunar highlands reveals that: 1) craters larger than diameter D~210 have positive Bouguer Anomalies (BAs), 2) craters with D ≲ 100 km have both positive and negative BAs that vary about the (near 0) mean by approximately ± 25 mGal, and, 3) D and BA are anticorrelated for craters with D ≲ 100 km [Soderblom et al., 2015; submitted]. Numerical modeling by Milbury et al. [2015, LPSC] shows that pre-impact porosity is the dominant influence on the gravity signature of complex craters with D ≲ 100 km, and mantle uplift dominates the gravity for those with D > 140 km. Phillips et al. [2015, LPSC] showed that complex craters located in the South Pole-Aitken (SPA) basin tend to have more-negative BAs than similar craters in the highlands. By including (pre-impact) vertical porosity/density gradients in our impact simulations, we reproduce the observed anticorrelation between BA and D for D ≲ 100 km, and the observed difference between the BAs of SPA and highland craters. We use the iSALE hydrocode including pore space compaction [Wünnemann et al., 2006; doi:10.1016/j.icarus.2005.10.013] and dilatant bulking [Collins, 2014; doi:10.1002/2014JE004708] to understand how the gravity signature of impact craters develop. In this study we vary density/porosity with depth. We find that simulations that have constant porosity with depth have a lower BA for a given crater diameter than those with varying porosity. We used two different mean porosities (7% and 14%) and found that the BA increases with increasing porosity, similar to simulations with constant porosity. Larger

  6. Separate measurement of the density and viscosity of a liquid using a quartz crystal microbalance based on admittance analysis (QCM-A)

    Science.gov (United States)

    Itoh, Atsushi; Ichihashi, Motoko

    2011-01-01

    We previously used a quartz crystal microbalance (QCM) to identify a frequency f2 that allows measurement of the mass load without being affected by the viscous load of a liquid in the liquid phase. Here, we determined that frequency in order to separately measure the density and viscosity of a Newtonian liquid. Martin et al separately measured the density and viscosity of a liquid by immersing two quartz resonators, i.e. a smooth-surface resonator and a textured-surface resonator, in the liquid. We used a QCM based on admittance analysis (QCM-A) in the current study to separately measure the viscosity and density of a liquid using only a textured-surface resonator. In the current experiments, we measured the density and viscosity of 500 µl of 10%, 30%, and 50% aqueous glycerol solutions and compared the measured values to reference values. The density obtained had an error of ±1.5% of reference values and the viscosity had an error of about ±5% of reference values. Similar results were obtained with 500 µl of 10%, 30%, and 50% ethanol solutions. Measurement was possible with a quartz resonator, so measurements were made with even smaller samples. The density and viscosity of a liquid were successfully determined with an extremely small amount of liquid, i.e. 10 µl, with almost the same precision as when using 500 µl of the liquid.

  7. Mapping and identification of interferon gamma-regulated HeLa cell proteins separated by immobilized pH gradient two-dimensional gel electrophoresis

    DEFF Research Database (Denmark)

    Shaw, AC; Rossel Larsen, M; Roepstorff, P

    1999-01-01

    magnitude of IFN-gamma responsive genes has been reported previously. Our goal is to identify and map IFN-gamma-regulated HeLa cell proteins to the two-dimensional polyacrylamide gel electrophoresis with the immobilized pH gradient (IPG) two-dimensional polyacrylamide gel electrophoresis (2-D PAGE) system...

  8. Sperm selection by Capripure(®) density-gradient centrifugation versus the dextran swim-up procedure in wild mountain ruminants.

    Science.gov (United States)

    Santiago-Moreno, J; Esteso, M C; Castaño, C; Toledano-Díaz, A; Rodríguez, E; López-Sebastián, A

    2014-10-01

    This study compares the effectiveness of two methods of sperm selection - Capripure(®) density-gradient centrifugation (DGC) and dextran swim-up (DSU) - in semen samples from Iberian ibex (Capra pyrenaica) and European mouflon (Ovis musimon). During the increasing photoperiod, Capripure(®) DGC improved the percentage of sperm with progressive motility (Pmouflon, Capripure(®) DGC selection was unaffected by photoperiod, had no influence on any sperm variable, and selected 47.8% of the initial total number of mouflon spermatozoa in ejaculate samples. Photoperiod had no influence on the effectiveness of DSU in either ibexes or mouflons. In the ibexes, DSU reduced (Pmouflons, DSU had no significant influence on any sperm variable, and selected 27.8% of the initial total number. Capripure(®) DGC improved ibex and mouflon sperm motility (Pmouflon, sperm cells showing non-progressive motility were found after only 20 h of post-centrifugation incubation following Capripure(®) DGC selection. In conclusion, Capripure(®) DGC would seem a useful method for selecting the best spermatozoa from both ibex and mouflon ejaculates.

  9. [Development of a gentamicin producer under different culture conditions studied by a method of differential centrifugation of the mycelium in a saccharose density gradient].

    Science.gov (United States)

    Losev, V V; Laznikova, T N; Dmitrieva, S V

    1981-05-01

    The method of differential centrifugation in the sucrose density gradient (SDG) enabled one to trace the changes in the development of the seed and fermentation mycelium of the gentamicin-producing organism. Correlation between gentamicin distribution in the SDG and the culture productivity was found. It was shown that the culture grown under the optimal aeration and agitation conditions was characterized by formation of higher amounts of the mycelium in the 5th and 6th layers of the SDG. Such mycelium was more productive than that from the other SDG layers. The most productive 48-hour seed culture had the more significant part of the mycelium in the 3rd layer of the SDG. When such a culture had the more significant part of the mycelium in the 3rd layer of the SDG. When such a culture was used as the seed material, the activity of the fermentation broth was the highest. The method of differential centrifugation in the SDG provides determination of the culture productivity by the volumes of the fermentation mycelium in the 5th and 6th layers or the seed mycelium in the 3rd layer of the SDG.

  10. Instability of spiral and scroll waves in the presence of a gradient in the fibroblast density: the effects of fibroblast-myocyte coupling

    CERN Document Server

    Zimik, Soling

    2016-01-01

    Fibroblast-myocyte coupling can modulate electrical-wave dynamics in cardiac tissue. In diseased hearts, the distribution of fibroblasts is heterogeneous, so there can be gradients in the fibroblast density (henceforth we call this GFD) especially from highly injured regions, like infarcted or ischemic zones, to less-wounded regions of the tissue. Fibrotic hearts are known to be prone to arrhythmias, so it is important to understand the effects of GFD in the formation and sustenance of arrhythmic re- entrant waves, like spiral or scroll waves. Therefore, we investigate the effects of GFD on the stability of spiral and scroll waves of electrical activation in a state-of-the- art mathematical model for cardiac tissue in which we also include fibroblasts. By introducing GFD in controlled ways, we show that spiral and scroll waves can be unstable in the presence of GFDs because of regions with varying spiral or scroll-wave frequency {\\omega}, induced by the GFD. We examine the effects of the resting membrane pote...

  11. Clinical efficacy of a combination of Percoll continuous density gradient and swim-up techniques for semen processing in HIV-1 serodiscordant couples

    Directory of Open Access Journals (Sweden)

    Osamu Inoue

    2017-01-01

    Full Text Available To evaluate the clinical efficacy of a procedure comprising a combination of Percoll continuous density gradient and modified swim-up techniques for the removal of human immunodeficiency virus type 1 (HIV-1 from the semen of HIV-1 infected males, a total of 129 couples with an HIV-1 positive male partner and an HIV-1 negative female partner (serodiscordant couples who were treated at Keio University Hospital between January 2002 and April 2012 were examined. A total of 183 ejaculates from 129 HIV-1 infected males were processed. After swim-up, we successfully collected motile sperms at a recovery rate as high as 100.0% in cases of normozoospermia (126/126 ejaculates, oligozoospermia (6/6, and asthenozoospermia (36/36. The recovery rate of oligoasthenozoospermia was 86.7% (13/15. In processed semen only four ejaculates (4/181:2.2% showed viral nucleotide sequences consistent with those in the blood of the infected males. After using these sperms, no horizontal infections of the female patients and no vertical infections of the newborns were observed. Furthermore, no obvious adverse effects were observed in the offspring. This protocol allowed us to collect HIV-1 negative motile sperms at a high rate, even in male factor cases. We concluded that our protocol is clinically effective both for decreasing HIV-1 infections and for yielding a healthy child.

  12. Clinical efficacy of a combination of Percoll continuous density gradient and swim-up techniques for semen processing in HIV-1 serodiscordant couples

    Science.gov (United States)

    Inoue, Osamu; Kuji, Naoaki; Ito, Hiroe; Yamada, Mitsutoshi; Hamatani, Toshio; Oyadomari, Aimi; Kato, Shingo; Hanabusa, Hideji; Isaka, Keiichi; Tanaka, Mamoru

    2017-01-01

    To evaluate the clinical efficacy of a procedure comprising a combination of Percoll continuous density gradient and modified swim-up techniques for the removal of human immunodeficiency virus type 1 (HIV-1) from the semen of HIV-1 infected males, a total of 129 couples with an HIV-1 positive male partner and an HIV-1 negative female partner (serodiscordant couples) who were treated at Keio University Hospital between January 2002 and April 2012 were examined. A total of 183 ejaculates from 129 HIV-1 infected males were processed. After swim-up, we successfully collected motile sperms at a recovery rate as high as 100.0% in cases of normozoospermia (126/126 ejaculates), oligozoospermia (6/6), and asthenozoospermia (36/36). The recovery rate of oligoasthenozoospermia was 86.7% (13/15). In processed semen only four ejaculates (4/181:2.2%) showed viral nucleotide sequences consistent with those in the blood of the infected males. After using these sperms, no horizontal infections of the female patients and no vertical infections of the newborns were observed. Furthermore, no obvious adverse effects were observed in the offspring. This protocol allowed us to collect HIV-1 negative motile sperms at a high rate, even in male factor cases. We concluded that our protocol is clinically effective both for decreasing HIV-1 infections and for yielding a healthy child. PMID:26908065

  13. Density gradient theory combined with the PC-SAFT equation of state used for modeling the surface tension of associating systems

    Directory of Open Access Journals (Sweden)

    Vinš Václav

    2014-03-01

    Full Text Available The density gradient theory (GT combined with a SAFT-type (Statistical Associating Fluid Theory equation of state has been used for modeling the surface tension of associating fluids represented by a series of six alkanols ranging from methanol to 1-pentanol. The effect of nonzero dipole moment of the selected alkanols on the predicted surface tension was investigated in this study. Results of the GT + non-polar Perturbed Chain (PC SAFT equation of state were compared to predictions of GT combined with the PC-polar-SAFT, i.e. PCP-SAFT, equation. Both GT + PC-SAFT and GT + PCP-SAFT give reasonable prediction of the surface tension for pure alkanols. Results of both models are comparable as no significant difference in the modeled saturation properties and in the predicted surface tension using GT was found. Consideration of dipolar molecules of selected alkanols using PCP-SAFT had only minor effect on the predicted properties compared to the non-polar PC-SAFT model.

  14. Potential environmental benefits of improving recycling of polyolefines – LCA of Magnetic density separation (MDS) developed in the EU FP7 funded project W2Plastic

    DEFF Research Database (Denmark)

    Olsen, Stig Irving; Bonou, Alexandra

    2012-01-01

    The core of the EU FP7 funded project W2Plastic is development of a magnetic density separation (MDS) of polyolefines in order to improve the sorting efficiency of these polymer types in different waste fractions. As part of the project a life cycle assessment is performed in order to firstly...

  15. The method of separation for evolutionary spectral density estimation of multi-variate and multi-dimensional non-stationary stochastic processes

    KAUST Repository

    Schillinger, Dominik

    2013-07-01

    The method of separation can be used as a non-parametric estimation technique, especially suitable for evolutionary spectral density functions of uniformly modulated and strongly narrow-band stochastic processes. The paper at hand provides a consistent derivation of method of separation based spectrum estimation for the general multi-variate and multi-dimensional case. The validity of the method is demonstrated by benchmark tests with uniformly modulated spectra, for which convergence to the analytical solution is demonstrated. The key advantage of the method of separation is the minimization of spectral dispersion due to optimum time- or space-frequency localization. This is illustrated by the calibration of multi-dimensional and multi-variate geometric imperfection models from strongly narrow-band measurements in I-beams and cylindrical shells. Finally, the application of the method of separation based estimates for the stochastic buckling analysis of the example structures is briefly discussed. © 2013 Elsevier Ltd.

  16. Surface Tension of Binary Mixtures Including Polar Components Modeled by the Density Gradient Theory Combined with the PC-SAFT Equation of State

    Science.gov (United States)

    Vinš, Václav; Planková, Barbora; Hrubý, Jan

    2013-05-01

    In this study, the Cahn-Hilliard density gradient theory (GT) is used for predicting the surface tension of various binary mixtures at relatively wide temperature ranges and for testing the application of the GT for predictions of homogeneous nucleation. The GT was combined with two physically based equations of state (EoS), namely the perturbed-chain (PC) statistical associating fluid theory (SAFT) and its modification for polar substances the perturbed-chain polar (PCP) SAFT. The GT applied to the planar phase interface was employed to predict the interfacial tension for various quadrupolar (CO2 and benzene) and dipolar (difluoromethane, i.e., R32; pentafluoroethane, i.e., R125; and 1,1,1,2-tetrafluoroethane, i.e., R134a) substances and for five binary mixtures including polar components ( n-decane + CO2, benzene + CO2, R32 + R125, R32 + R134a, R134a + R125). The PCP-SAFT EoS combined with the GT provides more accurate results for both the quadrupolar and dipolar substances than the original PC-SAFT EoS. Besides the planar phase interface, the GT was also applied to the spherical phase interface simulating a critical cluster occurring in homogeneous nucleation of droplets. Carbon dioxide was considered, because it has a relatively high quadrupole moment and because of its relevance to natural gas processing. Application of the PCP-SAFT EoS provides a significant improvement compared to the PC-SAFT EoS, and it is clearly superior to the classical cubic Peng-Robinson EoS, which is still used for modeling droplet nucleation.

  17. Comparison of the effect of different media on the clinical outcomes of the density-gradient centrifugation/swim-up and swim-up methods.

    Science.gov (United States)

    Kim, Eun-Kyung; Kim, Eun-Ha; Kim, Eun-Ah; Lee, Kyung-Ah; Shin, Ji-Eun; Kwon, Hwang

    2015-03-01

    Sperm must be properly prepared in in vitro fertilization (IVF)-embryo transfer (ET) programs in order to control the fertilization rate and ensure that embryos are of high quality and have appropriate developmental abilities. The objective of this study was to determine the most optimal sperm preparation method for IVF. Patients less than 40 years of age who participated in a fresh IVF-ET cycle from November 2012 to March 2013 were included in this study. Poor responders with less than three mature oocytes were excluded. Ham's F-10 medium or sperm-washing medium (SWM) was used in combination with the density-gradient centrifugation/swim-up (DGC-SUP) or SUP methods for sperm preparation. A total of 429 fresh IVF-ET cycles were grouped according to the media and methods used for sperm preparation and retrospectively analyzed (DGC-SUP/Ham's F-10, n=82; DGC-SUP/SWM, n=43; SUP/Ham's F-10, n=181; SUP/SWM, n=123). There were no significant differences among these four groups with respect to the mean age of the female partners, duration of infertility, number of previous IVF cycles, and retrieved oocytes. We determined that both the DGC-SUP and SUP methods for sperm preparation from whole semen, using either Ham's F-10 or SWM media, result in comparable clinical outcomes, including fertilization and pregnancy rates. We suggest that both media and both methods for sperm preparation can be used for selecting high-quality sperm for assistive reproductive technology programs.

  18. Efficient isolation of sperm with high DNA integrity and stable chromatin packaging by a combination of density-gradient centrifugation and magnetic-activated cell sorting.

    Science.gov (United States)

    Chi, Hee-Jun; Kwak, Su-Jin; Kim, Seok-Gi; Kim, Youn-Young; Park, Ji-Young; Yoo, Chang-Seok; Park, Il-Hae; Sun, Hong-Gil; Kim, Jae-Won; Lee, Kyeong-Ho

    2016-12-01

    This study was carried out to investigate the correlations of the sperm DNA fragmentation index (DFI) with semen parameters and apoptosis, and to investigate the effects of density-gradient centrifugation (DGC) and magnetic-activated cell sorting (MACS) on reducing the proportion of sperm with DNA fragmentation and protamine deficiency. Semen analysis and a sperm DNA fragmentation assay were performed to assess the correlations between semen parameters and the DFI in 458 semen samples. Sperm with progressive motility or non-apoptosis were isolated by DGC or MACS, respectively, in 29 normozoospermic semen samples. The effects of DGC or MACS alone and of DGC and MACS combined on reducing the amount of sperm in the sample with DNA fragmentation and protamine deficiency were investigated. The sperm DFI showed a significant correlation (r=-0.347, p<0.001) with sperm motility and morphology (r=-0.114, p<0.05) but not with other semen parameters. The DFI (11.5%±2.0%) of semen samples was significantly reduced by DGC (8.1%±4.1%) or MACS alone (7.4%±3.9%) (p<0.05). The DFI was significantly further reduced by a combination of DGC and MACS (4.1%±1.3%, p<0.05). Moreover, the combination of DGC and MACS (1.6%±1.1%, p<0.05) significantly reduced the protamine deficiency rate of semen samples compared to DGC (4.4%±3.2%) or MACS alone (3.4%±2.2%). The combination of DGC and MACS may be an effective method to isolate high-quality sperm with progressive motility, non-apoptosis, high DNA integrity, and low protamine deficiency in clinical use.

  19. Mapping and identification of interferon gamma-regulated HeLa cell proteins separated by immobilized pH gradient two-dimensional gel electrophoresis

    DEFF Research Database (Denmark)

    Shaw, AC; Rossel Larsen, M; Roepstorff, P

    1999-01-01

    magnitude of IFN-gamma responsive genes has been reported previously. Our goal is to identify and map IFN-gamma-regulated HeLa cell proteins to the two-dimensional polyacrylamide gel electrophoresis with the immobilized pH gradient (IPG) two-dimensional polyacrylamide gel electrophoresis (2-D PAGE) system....... A semiconfluent layer of HeLa cells was grown on tissue culture plates, and changes in protein expression due to 100 U/mL IFN-gamma were investigated at different periods after treatment, using pulse labeling with [35S]methionine/cysteine in combination with 2-D PAGE (IPG). The identity of eight protein spots...

  20. Mercury and trace element distribution in density separates of a South African Highveld (#4) coal: Implications for mercury reduction and preparation of export coal

    Science.gov (United States)

    Kolker, Allan; Senior, Connie L.; van Alphen, Chris; Koenig, Alan E.; Geboy, Nicholas J.

    2017-01-01

    Eight density separates of Permian Highveld (#4) coal were investigated for partitioning of Hg and trace elements. The separates include float fractions obtained in heavy media having densities of 1.4, 1.5, 1.6, 1.7, 1.8, 1.9, and 2.0 g/cm3, and the sink fraction for 2.0 g/cm3. Bulk analysis of the separates shows strong (R2 ≥ 0.80) positive correlations between pyritic sulfur and mercury, and between ash yield and both pyritic sulfur and mercury. Laser ablation (LA) ICP-MS analysis of individual pyrite grains in the separates confirms association of Hg and As with pyrite as indicated by bulk analysis. Other elements detected in pyrite by LA-ICP-MS include Mn, Co, Ni, Tl, and Pb. Results for the separates allow prediction of Hg, trace elements, and ash yields expected in specific South African coal products. These range from 0.06 ppm Hg and an ash yield of 11.5% ash for the export fraction to 0.47 ppm Hg and an ash yield of 60.9% for the discard (stone) fraction (dry basis). Results show pronounced differences expected between coal used for domestic power generation and coal which is exported.

  1. STUDY AND APPLICATION ON DRINKING WATER TREATMENT WITH HIGH GRADIENT MAGNETIC SEPARATION%高梯度磁分离技术在饮用水处理中的研究与应用

    Institute of Scientific and Technical Information of China (English)

    蓝惠霞; 颜幼平; 武秀文

    2001-01-01

    The paper gives a brief account of the situation and advantages for drinking water treatment study and application with high gradient magnetic separation,which prospects are also put forward in this paper.%概述了国内外对高梯度磁分离技术在饮用水处理中的研究应用状况及其优点,并展望了该技术在饮用水处理中的应用前景。

  2. Magnetic separation of algae

    Energy Technology Data Exchange (ETDEWEB)

    Nath, Pulak; Twary, Scott N.

    2016-04-26

    Described herein are methods and systems for harvesting, collecting, separating and/or dewatering algae using iron based salts combined with a magnetic field gradient to separate algae from an aqueous solution.

  3. CATALYTIC COMBUSTION OF PROPANE IN A MEMBRANE REACTOR WITH SEPARATE FEED OF REACTANT .1. OPERATION IN ABSENCE OF TRANS-MEMBRANE PRESSURE-GRADIENTS

    NARCIS (Netherlands)

    SARACCO, G; VELDSINK, JW; VERSTEEG, GF; VANSWAAIJ, WPM

    1995-01-01

    A pilot plant study on propane catalytic combustion in a membrane reactor with separate reactant feeds is presented. The membrane consisted of a porous alumina tube activated by insertion into its pores of a Pt/gamma-Al2O3 catalyst. The role of reactants concentration and of the feed flow rates were

  4. CATALYTIC COMBUSTION OF PROPANE IN A MEMBRANE REACTOR WITH SEPARATE FEED OF REACTANT .1. OPERATION IN ABSENCE OF TRANS-MEMBRANE PRESSURE-GRADIENTS

    NARCIS (Netherlands)

    SARACCO, G; VELDSINK, JW; VERSTEEG, GF; VANSWAAIJ, WPM

    1995-01-01

    A pilot plant study on propane catalytic combustion in a membrane reactor with separate reactant feeds is presented. The membrane consisted of a porous alumina tube activated by insertion into its pores of a Pt/gamma-Al2O3 catalyst. The role of reactants concentration and of the feed flow rates were

  5. Catalytic combustion of propane in a membrane reactor with separate feed of reactants—I. Operation in absence of trans-membrane pressure gradients

    NARCIS (Netherlands)

    Saracco, Guido; Veldsink, Jan Willem; Versteeg, Geert F.; Swaaij, Wim P.M. van

    1995-01-01

    A pilot plant study on propane catalytic combustion in a membrane reactor with separate reactant feeds is presented. The membrane consisted of a porous alumina tube activated by insertion into its pores of a Pt/γ-Al2O3 catalyst. The role of reactants concentration and of the feed flow rates were

  6. Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel

    CERN Document Server

    Rebolini, Elisa

    2015-01-01

    We present a range-separated linear-response time-dependent density-functional theory (TDDFT) which combines a density-functional approximation for the short-range response kernel and a frequency-dependent second-order Bethe-Salpeter approximation for the long-range response kernel. This approach goes beyond the adiabatic approximation usually used in linear-response TDDFT and aims at improving the accuracy of calculations of electronic excitation energies of molecular systems. A detailed derivation of the frequency-dependent second-order Bethe-Salpeter correlation kernel is given using many-body Green-function theory. Preliminary tests of this range-separated TDDFT method are presented for the calculation of excitation energies of four small molecules: N2, CO2, H2CO, and C2H4. The results suggest that the addition of the long-range second-order Bethe-Salpeter correlation kernel overall slightly improves the excitation energies.

  7. Metallophilic interactions in A-frame molecules [S(MPH3)2] (M = Cu, Ag, Au) from range-separated density-functional perturbation theory

    Science.gov (United States)

    Alam, Md Mehboob; Fromager, Emmanuel

    2012-12-01

    Metallophilicity in A-frame molecules [S(MPH3)2] (M = Cu, Ag, Au), which was previously studied by Riedel et al. [S. Riedel, P. Pyykkö, R.A. Mata, H.-J. Werner, Chem. Phys. Lett. 405 (2005) 148], is revisited by means of single- and multi-reference range-separated second-order density-functional perturbation theories. The commonly used μ = 0.4 a.u. range-separation parameter enables to capture the metal-metal attraction and, thus, to treat it within second-order many-body perturbation theory (MBPT2) while 'intramolecular' electron correlation is described within density-functional theory (DFT). When compared to CCSD(T), the hybrid MBPT2-DFT methods perform much better than regular MBPT2 and DFT.

  8. Review on the membrane gradient separation for water quality analysis%国内外膜梯度分离技术用于水质分析的研究进展

    Institute of Scientific and Technical Information of China (English)

    杨双春; 郭绍辉; 闫光绪

    2011-01-01

    Membrane, as a modem effective chemical separation technology, has been applied in a number of industries for 20 years. Researchers are recently studying a new way of substance characterization by membrane gradient separation. Membrane gradient separation achievements abroad are used in separation of ultra colloid, quantitative analysis of readily biodegradable substances,determination of the relationship between chemical oxygen demand and size distribution of pollutants,and biodegradable ability evaluation. In China, exploratory work presently focuses on molecular weight distribution of source water, pollutants characterization of landfill leachate and water quality analysis of coagulation effluent.%膜作为一种新兴高效的化工分离技术20年来已经应用于很多行业,近年来膜梯度分离用于水质表征的方法受到国内外关注.本文综述了国内外膜梯度分离技术用于水质分析的研究进展.膜梯度分离在国外已经应用在超胶体的定性、易降解组分的定量、化学耗氧量与粒径分布关系的分析以及可生化性评价等方面;国内目前在水源水分子量分布、垃圾渗滤液污染物特性表征和絮凝处理后水质分析方面有研究.

  9. 基于新概率密度函数的ICA盲源分离%ICA Blind Signal Separation Based on a New Probability Density Function

    Institute of Scientific and Technical Information of China (English)

    张娟娟; 邸双亮

    2014-01-01

    This paper is concerned with the blind source separation (BSS) problem of super-Gaussian and sub-Gaussian mixed signal by using the maximum likelihood method, which is based on independent component analysis (ICA) method. In this paper, we construct a new type of probability density function (PDF) which is different from the already existing PDF used to separate mixed signals in the previously published papers. Applying the new constructed PDF to estimate probability density of super-Gaussian and sub-Gaussian signals (assuming the source signals are independent of each other), it is not necessary to change the parameter values artificially, and the separation work may be performed adaptively. Numerical experiments verify the feasibility of the newly constructed PDF, and the convergence time and the separation effect are improved compared with the original algorithm.%基于独立分量分析(Independent Component Analysis, ICA),利用极大似然估计法,研究了超高斯和亚高斯的混合信号的盲源分离(Blind Sources Separation, BSS)问题。文中构造了一种新的、不同于以往文章中用来分离混合信号的概率密度函数(Probability Density Function, PDF)。新构造的PDF无需改变函数中的参数值,可用来对于超高斯和亚高斯信号的概率密度进行估计(假设未知源信号是相互独立的)。数值实验验证了新构造的PDF的可行性,与原算法相比,收敛时间和分离效果都得到了较大的改善。

  10. Variation of DNA Fragmentation Levels During Density Gradient Sperm Selection for Assisted Reproduction Techniques: A Possible New Male Predictive Parameter of Pregnancy?

    Science.gov (United States)

    Muratori, Monica; Tarozzi, Nicoletta; Cambi, Marta; Boni, Luca; Iorio, Anna Lisa; Passaro, Claudia; Luppino, Benedetta; Nadalini, Marco; Marchiani, Sara; Tamburrino, Lara; Forti, Gianni; Maggi, Mario; Baldi, Elisabetta; Borini, Andrea

    2016-05-01

    Predicting the outcome of in vitro fertilization (IVF)/intracytoplasmic sperm injection (ICSI) is one main goal of the present research on assisted reproduction. To understand whether density gradient centrifugation (DGC), used to select sperm, can affect sperm DNA integrity and impact pregnancy rate (PR), we prospectively evaluated sperm DNA fragmentation (sDF) by TUNEL/PI, before and after DGC. sDF was studied in a cohort of 90 infertile couples the same day of IVF/ICSI treatment. After DGC, sDF increased in 41 samples (Group A, median sDF value: 29.25% [interquartile range, IQR: 16.01-41.63] in pre- and 60.40% [IQR: 32.92-93.53] in post-DGC) and decreased in 49 (Group B, median sDF value: 18.84% [IQR: 13.70-35.47] in pre- and 8.98% [IQR: 6.24-15.58] in post-DGC). PR was 17.1% and 34.4% in Group A and B, respectively (odds ratio [OR]: 2.58, 95% confidence interval [CI]: 0.95-7.04, P = 0.056). After adjustment for female factor, female and male age and female BMI, the estimated OR increased to 3.12 (95% CI: 1.05-9.27, P = 0.041). According to the subgroup analysis for presence/absence of female factor, heterogeneity in the association between the Group A and B and PR emerged (OR: 4.22, 95% CI: 1.16-15.30 and OR: 1.53, 95% CI: 0.23-10.40, respectively, for couples without, n = 59, and with, n = 31, female factor).This study provides the first evidence that the DGC procedure produces an increase in sDF in about half of the subjects undergoing IVF/ICSI, who then show a much lower probability of pregnancy, raising concerns about the safety of this selection procedure. Evaluation of sDF before and after DGC configures as a possible new prognostic parameter of pregnancy outcome in IVF/ICSI. Alternative sperm selection strategies are recommended for those subjects who undergo the damage after DGC.

  11. Development and industrial application of SSS-I-2500 high gradient magnetic separator%SSS-I-2500型高梯度磁选机的研制及工业应用

    Institute of Scientific and Technical Information of China (English)

    赵明; 许丽敏; 钟森林

    2011-01-01

    SSS-I-2500型高梯度磁选机的研制,是在总结已有高梯度磁选机成功经验的基础上对磁系结构、激磁线圈、脉动冲程箱以及电控系统的性能进行了优化设计,在海南中稷大地公司选厂进行的工业试验中取得了精矿品位为49%,产率为27%~28%,回收率为49%的良好指标。%The development of SSS-I-2500 high gradient magnetic separator is based on the successful experience of manufactured high gradient magnetic separators.The structure of the magnetic system,excitation coil,pulsating box and the performance of electric control system have been optimized.The industrial test carried out in Washery of Hainan Zhongji Land Company achieves good indexes such as 49% of concentrate grade,24%~28% of yield and 49% of recovery rate.

  12. Self-consistent many-body perturbation theory in range-separated density-functional theory

    DEFF Research Database (Denmark)

    Fromager, Emmanuel; Jensen, Hans Jørgen Aagaard

    2008-01-01

    -range parts; the long-range part is then treated by MBPT and the short-range part by DFT. This work deals with the formulation of a general MBPT-DFT model (i.e., valid for any type of zeroth-order Hamiltonian) based on such a range separation. Applying the Rayleigh-Schrödinger formalism in this context, one...

  13. Vermicomposting of source-separated human faeces by Eisenia fetida: effect of stocking density on feed consumption rate, growth characteristics and vermicompost production.

    Science.gov (United States)

    Yadav, Kunwar D; Tare, Vinod; Ahammed, M Mansoor

    2011-06-01

    The main objective of the present study was to determine the optimum stocking density for feed consumption rate, biomass growth and reproduction of earthworm Eisenia fetida as well as determining and characterising vermicompost quantity and product, respectively, during vermicomposting of source-separated human faeces. For this, a number of experiments spanning up to 3 months were conducted using soil and vermicompost as support materials. Stocking density in the range of 0.25-5.00 kg/m(2) was employed in different tests. The results showed that 0.40-0.45 kg-feed/kg-worm/day was the maximum feed consumption rate by E. fetida in human faeces. The optimum stocking densities were 3.00 kg/m(2) for bioconversion of human faeces to vermicompost, and 0.50 kg/m(2) for earthworm biomass growth and reproduction.

  14. Phase-separated charge-density-wave phase in the two-species extended Bose-Hubbard model

    NARCIS (Netherlands)

    Mishra, Tapan; Sahoo, B. K.; Pai, Ramesh V.

    We study the quantum phase transitions in a two component Bose mixture in a one-dimensional optical lattice. The calculations have been performed in the framework of the extended Bose-Hubbard model using the finite size density matrix renormalization group method. We obtain different phase

  15. Linear interpolation method in ensemble Kohn-Sham and range-separated density-functional approximations for excited states

    DEFF Research Database (Denmark)

    Senjean, Bruno; Knecht, Stefan; Jensen, Hans Jørgen Aa

    2015-01-01

    Gross-Oliveira-Kohn density-functional theory (GOK-DFT) for ensembles is, in principle, very attractive but has been hard to use in practice. A practical model based on GOK-DFT for the calculation of electronic excitation energies is discussed. The model relies on two modifications of GOK-DFT: us...

  16. Kinetic analysis of single-particle pulverized coal during high-gradient magnetic separation%高梯度磁选中单颗粒微粉煤的动力学分析

    Institute of Scientific and Technical Information of China (English)

    刘鹏; 焦红光

    2012-01-01

    为了建立气固流态化磁选过程中颗粒群的相互作用模型,优化了高梯度磁选设备工作参数,在单颗粒微粉煤比磁化率一定的条件下,通过对高梯度磁选中单颗粒球形微粉煤的动力学分析,建立了气固流态化分选过程中的单颗粒煤粉运动的动态数学模型;进而探索出聚磁介质当量直径的临界模型,并分析了单颗粒微粉煤被捕集到聚磁介质上时相对气体流速的运动速度。%To establish the model of granule group interaction during gas-solid fluidization magnetic separa- tion, the paper optimized the operation parameters of the high-gradient magnetic separation equipment. On thecondition of keeping the specific magnetic susceptibility constant, through kinetic analysis of the spherical sin- gle-particle pulverized coal during high-gradient magnetic separation, a dynamic mathematical model of single- particle pulverized coal during gas-solid fluidization magnetic separation was established. And then the critical model of the equivalent diameter of the magnetic medium was achieved. Finally the relative gas flow velocity of single-particle pulverized coal was analyzed when single-particle pulverized coal was trapped onto the mag- netic medium.

  17. PHASE SEPARATION IN BIMODAL MOLECULAR WEIGHT HIGH DENSITY POLYETHYLENE WITH DIFFERING BRANCH CONTENTS BY MOLECULAR DYNAMICS AND MESODYN SIMULATION

    Institute of Scientific and Technical Information of China (English)

    Zhi-jie Zhang; Zhong-yuan Lu; Ze-sheng Li

    2009-01-01

    The phase behavior of bimodal molecular weight high density polyethylene (BHDPE) in solid state was investigated. Hildebrand solubility parameters (δ) were calculated for the models of blends of higher molecular weight branch polyethylene (HBPE) with different branch contents and lower molecular weight linear polyethylene (LLPE), by using molecular dynamics (MD) simulations. These δ values were then used to calculate the corresponding Flory-Huggins interaction parameter (χ) between HBPE and LLPE models. In order to better understand the compatibility between LLPE and various HBPE, Mesodyn simulations were used to show the density profiles of the blends of LLPE with various HBPE at different compositions. The results indicated that the phase behavior of BHDPE was influenced by both the global branch content of the system and the local branch content, I.e., the branch content of HBPE.

  18. The optical gain and radiative current density of GaInNAs/GaAs/AlGaAs separate confinement heterostructure quantum well lasers

    Science.gov (United States)

    Wu, Shudong; Cao, Yongge; Tomić, Stanko; Ishikawa, Fumitaro

    2010-01-01

    The optical gain and radiative current density of GaInNAs/GaAs/AlGaAs separate confinement heterostructure quantum well (QW) lasers with an emission wavelength of 1.3 μm have been theoretically investigated. The effect of carrier leakage from the GaInNAs QW to the GaAs waveguide layer is studied, and its influence on the optical gain and radiative current density is identified. The hole filling caused by an injected carrier has a strong impact on the optical gain and radiative current density, while the effect of electron filling is negligible, reflecting the smaller band-gap discontinuity in the valence band than in the conduction band. Hole occupation in the waveguide layer decreases the optical gain, and increases the radiative and threshold current densities of the laser. Our calculated threshold current density (659.6 A/cm2) at T=300 K is in good agreement with the experimental value (650.9 A/cm2) reported in literature [R. Fehse et al., IEEE J. Sel. Top. Quantum Electron. 8, 801 (2002)].

  19. Theory of high gradient attractive magnetic separation of superconducting materials and its experimental verification by YBa{sub 2}Cu{sub 3}O{sub x} particles

    Energy Technology Data Exchange (ETDEWEB)

    Dessauges, L; Willems, J B; Favre, D; Bohrer, C; Helbling, F; Hulliger, J [Department of Chemistry and Biochemistry, University of Berne, Freiestrasse 3, CH-3012 Berne (Switzerland)

    2006-08-15

    The calculation of trajectories for sedimenting diamagnetic particles shows that superconducting matter in the Meissner or vortex state can be captured sidewise to a ferromagnetic wire magnetized perpendicular to its length. Capture is possible for externally applied fields lower than typical critical fields H{sub c1}(c), H{sub c1}(a,b) of cuprates. For single crystalline particles in the vortex state, the magnetic anisotropy may reduce the capture force because of alignment. Theoretical predictions were confirmed experimentally for suspensions of polycrystalline and single crystalline particles of YBa{sub 2}Cu{sub 3}O{sub x} (size range: 2-125 {mu}m) in liquid nitrogen. As a general conclusion we find that for the extraction of superconducting particles out of combinatorial ceramic reaction mixtures, separation in the Meissner state might be most effective because of the presence of an excess of normal state matter featuring a much lower diamagnetic susceptibility.

  20. The nature of photogenerated charge separation among different crystal facets of BiVO4 studied by density functional theory.

    Science.gov (United States)

    Liu, Taifeng; Zhou, Xin; Dupuis, Michel; Li, Can

    2015-09-28

    Charge separation among different crystal facets of a semiconductor has been observed experimentally, but the underlying reasons behind this phenomenon are unknown. In this work, the activation energies of carrier hopping and the mobility of electron/hole transport along seven low-index crystal orientations of bulk BiVO4 have been calculated using a small polaron model. The calculated mobility and our previous experimental results reveal that there is a parallel relationship between the carrier mobility along the crystal axis and the carrier preferred accumulation on the corresponding crystal facets. It is proposed that the mobility of electrons (or holes) along the crystal axis [hkl] might be essentially related to the charge separation among the indices of corresponding facets (hkl); namely, the mobility of electrons (or holes) along the crystal axis [hkl] is the largest among all possible crystal axes, and the photogenerated electrons (or holes) tend to be accumulated on the indices of the corresponding facet (hkl) when the surface factors like surface band bending, surface energetic differences, etc. are not considered.

  1. Investigation of Fluid-Fluid and Solid-Solid Phase Separation of Symmetric Nonadditive Hard Spheres at High Density.

    Science.gov (United States)

    Góźdź, W T

    2017-08-30

    We have calculated the values of the critical packing fractions for the mixtures of symmetric nonadditive hard spheres at high densities for small values of the nonadditivity parameter. Calculations have been performed for solid-solid and fluid-fluid demixing transitions. A cluster algorithm for Monte Carlo simulations in a semigrand ensemble was used, and the waste recycling method was applied to improve the accuracy of the calculations. The finite size scaling analysis was employed to compute the critical packing fractions for infinite systems with high accuracy.

  2. Separating effective high density polyethylene segments from olefin block copolymers using high temperature liquid chromatography with a preloaded discrete adsorption promoting solvent barrier.

    Science.gov (United States)

    Chatterjee, Tirtha; Rickard, Mark A; Pearce, Eric; Pangburn, Todd O; Li, Yongfu; Lyons, John W; Cong, Rongjuan; deGroot, A Willem; Meunier, David M

    2016-09-23

    Recent advances in catalyst technology have enabled the synthesis of olefin block copolymers (OBC). One type is a "hard-soft" OBC with a high density polyethylene (HDPE) block and a relatively low density polyethylene (VLDPE) block targeted as thermoplastic elastomers. Presently, one of the major challenges is to fractionate HDPE segments from the other components in an experimental OBC sample (block copolymers and VLDPE segments). Interactive high temperature liquid chromatography (HTLC) is ineffective for OBC separation as the HDPE segments and block copolymer chains experience nearly identical enthalpic interactions with the stationary phase and co-elute. In this work we have overcome this challenge by using liquid chromatography under the limiting conditions of desorption (LC LCD). A solvent plug (discrete barrier) is introduced in front of the sample which specifically promotes the adsorption of HDPE segments on the stationary phase (porous graphitic carbon). Under selected thermodynamic conditions, VLDPE segments and block copolymer chains crossed the barrier while HDPE segments followed the pore-included barrier solvent and thus enabled separation. The barrier solvent composition was optimized and the chemical composition of fractionated polymer chains was investigated as a function of barrier solvent strength using an online Fourier-transform infrared (FTIR) detector. Our study revealed that both the HDPE segments as well as asymmetric block copolymer chains (HDPE block length≫VLDPE block length) are retained in the separation and the barrier strength can be tailored to retain a particular composition. At the optimum barrier solvent composition, this method can be applied to separate effective HDPE segments from the other components, which has been demonstrated using an experimental OBC sample.

  3. Potential environmental benefits of improving recycling of polyolefines – LCA of Magnetic density separation (MDS) developed in the EU FP7 funded project W2Plastic

    DEFF Research Database (Denmark)

    Olsen, Stig Irving; Bonou, Alexandra

    2012-01-01

    The core of the EU FP7 funded project W2Plastic is development of a magnetic density separation (MDS) of polyolefines in order to improve the sorting efficiency of these polymer types in different waste fractions. As part of the project a life cycle assessment is performed in order to firstly...... identify eco-design criteria for the development and secondly to document the potential environmental improvement of polyolefin recycling using the MDS technology. A preliminary study focusing solely on the carbon footprint benefits of recycling plastic waste compared to virgin production of polymers...

  4. Gradient networks

    Science.gov (United States)

    Toroczkai, Zoltán; Kozma, Balázs; Bassler, Kevin E.; Hengartner, N. W.; Korniss, G.

    2008-04-01

    Gradient networks are defined (Toroczkai and Bassler 2004 Nature 428 716) as directed graphs formed by local gradients of a scalar field distributed on the nodes of a substrate network G. We present the derivation for some of the general properties of gradient graphs and give an exact expression for the in-degree distribution R(l) of the gradient network when the substrate is a binomial (Erd{\\;\\kern -0.10em \\raise -0.35ex \\{{^{^{\\prime\\prime}}}}\\kern -0.57em \\o} s-Rényi) random graph, G_{N,p} , and the scalars are independent identically distributed (i.i.d.) random variables. We show that in the limit N \\to \\infty, p \\to 0, z = pN = \\mbox{const} \\gg 1, R(l)\\propto l^{-1} for l Bassler (2004 Nature 428 716).

  5. Analysis of self-consistency effects in range-separated density-functional theory with Møller-Plesset perturbation theory.

    Science.gov (United States)

    Fromager, Emmanuel; Jensen, Hans Jørgen Aa

    2011-07-21

    Range-separated density-functional theory combines wave function theory for the long-range part of the two-electron interaction with density-functional theory for the short-range part. When describing the long-range interaction with non-variational methods, such as perturbation or coupled-cluster theories, self-consistency effects are introduced in the density functional part, which for an exact solution requires iterations. They are generally assumed to be small but no detailed study has been performed so far. Here, the authors analyze self-consistency when using Møller-Plesset-type (MP) perturbation theory for the long range interaction. The lowest-order self-consistency corrections to the wave function and the energy, that enter the perturbation expansions at the second and fourth order, respectively, are both expressed in terms of the one-electron reduced density matrix. The computational implementation of the latter is based on a Neumann series which, interestingly, even though the effect is small, usually diverges. A convergence technique, which perhaps can be applied in other uses of Neumann series in perturbation theory, is proposed. The numerical results thus obtained show that, in weakly bound systems, self-consistency can be neglected since the long-range correlation does not affect the density significantly. Although MP is not adequate for multireference systems, it can still be used as a reliable analysis tool. Though the density change is not negligible anymore in such cases, self-consistency effects are found to be much smaller than long-range correlation effects (less than 10% for the systems considered). For that reason, a sensible approximation might be to update the short-range energy functional term while freezing its functional derivative, namely, the short-range local potential, in the wave function optimization. The accuracy of such an approximation still needs to be assessed.

  6. ωB97M-V: A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation

    Science.gov (United States)

    Mardirossian, Narbe; Head-Gordon, Martin

    2016-06-01

    A combinatorially optimized, range-separated hybrid, meta-GGA density functional with VV10 nonlocal correlation is presented. The final 12-parameter functional form is selected from approximately 10 × 109 candidate fits that are trained on a training set of 870 data points and tested on a primary test set of 2964 data points. The resulting density functional, ωB97M-V, is further tested for transferability on a secondary test set of 1152 data points. For comparison, ωB97M-V is benchmarked against 11 leading density functionals including M06-2X, ωB97X-D, M08-HX, M11, ωM05-D, ωB97X-V, and MN15. Encouragingly, the overall performance of ωB97M-V on nearly 5000 data points clearly surpasses that of all of the tested density functionals. In order to facilitate the use of ωB97M-V, its basis set dependence and integration grid sensitivity are thoroughly assessed, and recommendations that take into account both efficiency and accuracy are provided.

  7. A mechanical model for phase-separation in debris flow

    CERN Document Server

    Pudasaini, Shiva P

    2016-01-01

    Understanding the physics of phase-separation between solid and fluid phases as a mixture mass moves down slope is a long-standing challenge. Here, we propose an extension of the two phase mass flow model (Pudasaini, 2012) by including a new mechanism, called separation-flux, that leads to strong phase-separation in avalanche and debris flows while balancing the enhanced solid flux with the reduced fluid flux. The separation flux mechanism is capable of describing the dynamically evolving phase-separation and levee formation in a multi-phase, geometrically three-dimensional debris flow. These are often observed phenomena in natural debris flows and industrial processes that involve the transportation of particulate solid-fluid mixture material. The novel separation-flux model includes several dominant physical and mechanical aspects such as pressure gradients, volume fractions of solid and fluid phases and their gradients, shear-rates, flow depth, material friction, viscosity, material densities, topographic ...

  8. Realistic calculation of the low- and high-density liquid phase separation in a charged colloidal dispersion

    Science.gov (United States)

    Lai, S. K.; Peng, W. P.; Wang, G. F.

    2001-04-01

    A realistic statistical-mechanics model is applied to describe the repulsive interaction between charged colloids. The latter, in combination with the long-range van der Waals attraction simulated under excess salt environment, gives rise to a total intercolloidal particle potential showing a clear second potential minimum. Differing from the usual Derjaguin-Landau-Verwey-Overbeek (DLVO) model, the present model is valid at any finite concentration of colloids and is thus an appropriate model for investigating the low- and high-density liquid phase transition. Employing this two-body colloid-colloid potential and in conjunction with the Weeks-Chandler-Andersen [J. D. Weeks, D. Chandler, and H. C. Andersen, J. Chem. Phys. 54, 5237 (1971)] thermodynamic perturbation theory, we derive analytical expressions for the pressure, chemical potential, and related thermodynamic functions. These thermodynamic quantities were used to calculate the phase diagrams of charged colloidal dispersions in terms of the critical parameters: temperature, volume fraction, and electrolyte concentration parameter kD. Compared with the DLVO model, we find the areas enclosed within the spinodal decomposition and also the liquid-liquid coexistence curves broader in the present model for an excess salt condition κ=kDσ0300, the disparities between the two models reduce. The same thermodynamic perturbation theory has been employed to study also the weak reversible coagulation whose physical origin is attributed to the presence of the second potential minimum. We examine various colloidal parameters that affect the structure of the latter and deduce from our analysis the conditions of colloidal stability. In comparison with the measured flocculation data for a binary mixture of polystyrene lattices and water, we find that our calculated results are generally reasonable, thus lending great credence to the presently used model.

  9. Distribution of electrophoretically separated serum high density lipoprotein subfraction levels among healthy students and its alteration in patients with liver diseases.

    Directory of Open Access Journals (Sweden)

    Ikeda,Satoru

    1986-06-01

    Full Text Available In an attempt to evaluate high density lipoprotein (HDL subfraction levels in liver diseases, HDL was separated by a precipitation method with dextran sulfate-Mg2+ from sera of 289 healthy adults and 50 patients with liver diseases. The HDL was subdivided into HDL2e and HDL3e by Utermann's polyacrylamide gel electrophoresis with lauric acid. Ultracentrifugally separated HDL2 and HDL3 roughly corresponded to HDL2e and HDL3e, respectively. Male and female groups had different distributions of HDL2e/HDL3e ratios. Among healthy males, 121 cases had ratios less than 1.0 (mean +/- SD = 0.72 +/- 0.39, n = 150, while among healthy females, the ratios were generally larger than those of males and varied widely from 0.2 to 6.6 (mean +/- SD = 1.77 +/- 1.05, n = 139. Low levels of HDL-cholesterol were found in patients with liver diseases, except those with mild alcoholic liver injury and intrahepatic cholestasis. Apparent decreases in HDL3e, but not in HDL2e, were found in all cases with liver diseases investigated, even in those who did not show decreases in the total HDL level, when male and female patients were analyzed separately. The analysis of HDL subfractions by the present method is simple and useful for the study on altered lipid metabolism in liver diseases.

  10. Autonomous oscillation/separation of cell density artificially induced by optical interlink feedback as designed interaction between two isolated microalgae chips

    Science.gov (United States)

    Ozasa, Kazunari; Won, June; Song, Simon; Maeda, Mizuo

    2016-04-01

    We demonstrate a designed interaction between two isolated cell populations of Euglena gracilis and Chlamydomonas reinhardtii, separately confined in two 25-square micro-aquariums of lab-on-chip size. The interaction was realized by interlinking two identical optical feedback systems, which measured the cell distribution. To analyze the cell populations, we measured the cell distribution in the 25 squares and irradiated the cells with a blue light pattern as an external stimulus. The cell distribution dataset was exchanged between the two systems. Governed by a designed interaction algorithm, the feedback systems produced a dynamic blue light illumination pattern that evoked the photophobic responses of both species. We also induced autonomous cell density oscillation and cell distribution separation and clustering, and analyzed how the types and diversities of the photophobic responses affected the oscillation period and separation and clustering. We conclude that artificial interlink feedback is a promising method for investigating diverse cell-cell interactions in ecological communities, and for developing soft-computing applications with living cells.

  11. An ensemble average method to estimate absolute TEC using radio beacon-based differential phase measurements: Applicability to regions of large latitudinal gradients in plasma density

    Science.gov (United States)

    Thampi, Smitha V.; Bagiya, Mala S.; Chakrabarty, D.; Acharya, Y. B.; Yamamoto, M.

    2014-12-01

    A GNU Radio Beacon Receiver (GRBR) system for total electron content (TEC) measurements using 150 and 400 MHz transmissions from Low-Earth Orbiting Satellites (LEOS) is fabricated in house and made operational at Ahmedabad (23.04°N, 72.54°E geographic, dip latitude 17°N) since May 2013. This system receives the 150 and 400 MHz transmissions from high-inclination LEOS. The first few days of observations are presented in this work to bring out the efficacy of an ensemble average method to convert the relative TECs to absolute TECs. This method is a modified version of the differential Doppler-based method proposed by de Mendonca (1962) and suitable even for ionospheric regions with large spatial gradients. Comparison of TECs derived from a collocated GPS receiver shows that the absolute TECs estimated by this method are reliable estimates over regions with large spatial gradient. This method is useful even when only one receiving station is available. The differences between these observations are discussed to bring out the importance of the spatial differences between the ionospheric pierce points of these satellites. A few examples of the latitudinal variation of TEC during different local times using GRBR measurements are also presented, which demonstrates the potential of radio beacon measurements in capturing the large-scale plasma transport processes in the low-latitude ionosphere.

  12. Gradient-driven diffusion and pattern formation in crowded mixtures

    Science.gov (United States)

    Nandigrami, Prithviraj; Grove, Brandy; Konya, Andrew; Selinger, Robin L. B.

    2017-02-01

    Gradient-driven diffusion in crowded, multicomponent mixtures is a topic of high interest because of its role in biological processes such as transport in cell membranes. In partially phase-separated solutions, gradient-driven diffusion affects microstructure, which in turn affects diffusivity; a key question is how this complex coupling controls both transport and pattern formation. To examine these mechanisms, we study a two-dimensional multicomponent lattice gas model, where "tracer" molecules diffuse between a source and a sink separated by a solution of sticky "crowder" molecules that cluster to form dynamically evolving obstacles. In the high-temperature limit, crowders and tracers are miscible, and transport may be predicted analytically. At intermediate temperatures, crowders phase separate into clusters that drift toward the tracer sink. As a result, steady-state tracer diffusivity depends nonmonotonically on both temperature and crowder density, and we observe a variety of complex microstructures. In the low-temperature limit, crowders rapidly aggregate to form obstacles that are kinetically arrested; if crowder density is near the percolation threshold, resulting tracer diffusivity shows scaling behavior with the same scaling exponent as the random resistor network model. Though highly idealized, this simple model reveals fundamental mechanisms governing coupled gradient-driven diffusion, phase separation, and microstructural evolution in crowded mixtures.

  13. Analysing the effect of stand density and site conditions on structure and growth of oak species using Nelder trials along an environmental gradient: experimental design, evaluation methods, and results

    Institute of Scientific and Technical Information of China (English)

    Enno; Uhl; Peter; Biber; Matthias; Ulbricht; Michael; Heym; Tamás; Horváth; Ferenc; Lakatos; Janós; Gál; Leonhard; Steinacker; Giustino; Tonon; Maurizio; Ventura; Hans; Pretzsch

    2015-01-01

    Background: Most current approaches in forest science and practice require information about structure and growth of individual trees rather than- or in addition to- sum and mean values of growth and yield at forest stand level as provided by classic experimental designs. By inventing the wheel design, Nelder provided the possibility to turn to the individual tree as basic information unit. Such trials provide valuable insights into the dependency of growth on stand density at particular sites.Methods: Here, we present an extension of the original design and evaluation by Nelder.(i) We established Nelder wheels along an environmental gradient through Europe in atlantic climate in Belgium and Germany, Mediterranean climate in Italy, continental climate in Hungary as well as on high land climate in Mexico. Such disjunct Nelder wheels along an environmental gradient can be regarded and analysed as a two-factor design with the factors of site condition and stand density.(ii) We present an advanced statistical approach to evaluate density dependent growth dynamics of trees planted in form of the Nelder design, which considers spatio-temporal autocorrelation.(iii)We prove the usefulness of the methods in improving ecological theory concerning density related productivity,trade-offs between facilitation and competition, and allometric relations between size variables.Results: First evaluations based on remeasured Nelder wheels in oak(Quercus robur L.) show a size growth differentiation during the first observation period. In particular, height growth is accelerated under higher competition indicating facilitation effects. We detect furthermore a high variability in allometric relations.Conclusions: The proposed design, methods, and results are discussed regarding their impact on forest practice,model building, and ecological theory. We conclude that the extended Nelder approach is highly efficient in providing currently lacking individual tree level information.

  14. Analysing the effect of stand density and site conditions on structure and growth of oak species using Nelder trials along an environmental gradient: experimental design, evaluation methods, and results

    Directory of Open Access Journals (Sweden)

    Enno Uhl

    2015-05-01

    Full Text Available Background Most current approaches in forest science and practice require information about structure and growth of individual trees rather than - or in addition to - sum and mean values of growth and yield at forest stand level as provided by classic experimental designs. By inventing the wheel design, Nelder provided the possibility to turn to the individual tree as basic information unit. Such trials provide valuable insights into the dependency of growth on stand density at particular sites. Methods Here, we present an extension of the original design and evaluation by Nelder. (i We established Nelder wheels along an environmental gradient through Europe in atlantic climate in Belgium and Germany, Mediterranean climate in Italy, continental climate in Hungary as well as on high land climate in Mexico. Such disjunct Nelder wheels along an environmental gradient can be regarded and analysed as a two-factor design with the factors of site condition and stand density. (ii We present an advanced statistical approach to evaluate density dependent growth dynamics of trees planted in form of the Nelder design, which considers spatio-temporal autocorrelation. (iii We prove the usefulness of the methods in improving ecological theory concerning density related productivity, trade-offs between facilitation and competition, and allometric relations between size variables. Results First evaluations based on remeasured Nelder wheels in oak (Quercus roburL. show a size growth differentiation during the first observation period. In particular, height growth is accelerated under higher competition indicating facilitation effects. We detect furthermore a high variability in allometric relations. Conclusions The proposed design, methods, and results are discussed regarding their impact on forest practice, model building, and ecological theory. We conclude that the extended Nelder approach is highly efficient in providing currently lacking individual tree level

  15. PLETHORA gradient formation mechanism separates auxin responses

    NARCIS (Netherlands)

    Mahonen, A.P.; Tusscher, ten K.; Diaz Trivino, S.; Heidstra, R.; Scheres, B.

    2014-01-01

    During plant growth, dividing cells in meristems must coordinate transitions from division to expansion and differentiation, thus generating three distinct developmental zones: the meristem, elongation zone and differentiation zone1. Simultaneously, plants display tropisms, rapid adjustments of

  16. Constructing B and N separately co-doped carbon nanocapsules-wrapped Fe/Fe3C for oxygen reduction reaction with high current density.

    Science.gov (United States)

    Feng, He; Wang, Lei; Zhao, Lu; Tian, Chungui; Yu, Peng; Fu, Honggang

    2016-09-29

    The exploration of low-cost and highly efficient non-platinum electrocatalysts for the oxygen reduction reaction (ORR) is vital for renewable systems. Herein, we report a novel non-platinum electrocatalyst consisting of B and N separately co-doped graphitic carbon encapsulated Fe/Fe3C nanoparticles (BNGFe), which were synthesized from a facile method by adopting melamine, iron nitrate and boric acid as the precursors. In this synthesis, the N atoms in melamine first bond with the iron ions in iron nitrate, which could prevent the formation of BN covalent bonds during the subsequent pyrolysed process, resulting in the formation of effective B and N separately co-doped graphitic carbon encapsulated on the Fe/Fe3C nanoparticles. The synthetic BNGFe catalyst shows outstanding catalytic performance for ORR with an onset potential of 0.98 V (vs. RHE) and a high limiting diffusion current density, which could be comparable to the state-of-the-art commercial Pt/C catalyst in alkaline electrolyte.

  17. Merging multireference perturbation and density-functional theories by means of range separation: Potential curves for Be2, Mg2, and Ca2

    DEFF Research Database (Denmark)

    Fromager, Emmanuel; Cimiraglia, Renzo; Jensen, Hans Jørgen Aagaard

    2010-01-01

    A rigorous combination of multireference perturbation theory and density functional theory (DFT) is proposed. Based on a range separation of the regular two-electron Coulomb interaction, it combines a short-range density functional with second-order strongly contracted n-electron valence state pe...

  18. Density functional theory investigation of hydrogen bonding effects on the oxygen, nitrogen and hydrogen electric field gradient and chemical shielding tensors of anhydrous chitosan crystalline structure.

    Science.gov (United States)

    Esrafili, Mehdi D; Elmi, Fatemeh; Hadipour, Nasser L

    2007-02-08

    A systematic computational investigation was carried out to characterize the 17O, 14N and 2H electric field gradient, EFG, as well as 17O, 15N, 13C and 1H chemical shielding tensors in the anhydrous chitosan crystalline structure. To include the hydrogen-bonding effects in the calculations, the most probable interacting molecules with the target molecule in the crystalline phase were considered through a hexameric cluster. The computations were performed with the B3LYP method and 6-311++G(d,p) and 6-31++G(d,p) standard basis sets using the Gaussian 98 suite of programs. Calculated EFG and chemical shielding tensors were used to evaluate the 17O, 14N and 2H nuclear quadrupole resonance, NQR, and 17O, 15N, 13C and 1H nuclear magnetic resonance, NMR, parameters in the hexameric cluster, which are in good agreement with the available experimental data. The difference between the calculated NQR and NMR parameters of the monomer and hexamer cluster shows how much hydrogen bonding interactions affect the EFG and chemical shielding tensors of each nucleus. These results indicate that both O(3)-H(33)...O(5-3) and N-H(22)...O(6-4) hydrogen bonding have a major influence on NQR and NMR parameters. Also, the quantum chemical calculations indicate that the intra- and intermolecular hydrogen bonding interactions play an essential role in determining the relative orientation of EFG and chemical shielding principal components in the molecular frame axes.

  19. Kinetic Gravity Separation

    NARCIS (Netherlands)

    Van Kooy, L.; Mooij, M.; Rem, P.

    2004-01-01

    Separations by density, such as the separation of non-ferrous scrap into light and heavy alloys, are often realized by means of heavy media. In principle, kinetic gravity separations in water can be faster and cheaper, because they do not rely on suspensions or salt solutions of which the density

  20. Keutuhan Membran Spermatozoa Disekuensing Sentrifugasi Gradien Densitas Percoll Berpengencer Andromed dan CEP-2 yang Ditambahkan Kuning Telur (MEMBRANE INTACT OF SPERMATOZOA FOLLOWING SEXING USING PERCOLL DENSITY GRADIENT CENTRIFUGATION IN ANDROMED AND C

    Directory of Open Access Journals (Sweden)

    Yudha Fika Diliyana

    2014-05-01

    Full Text Available The aim of this study was to observe the best extender in protecting the membrane of bovine spermatozoafollowing sexing by percoll density gradient centrifugation. Freshly collected semen were obtained fromBalai Besar Inseminasi Buatan Singosari-Malang. The semen were diluted in andromed and CaudalEpididymal Plasma-2 (CEP-2 added with 10% egg yolk extenders.The sperm membrane integrity wasobserved using Hypo-osmotic Swelling Test (HOST. Sperm capacitation and acrososome reaction wereassessed using Chlortetracycline Fluorescence Assay.The results showed that andromed and CEP-2 addedwith 10% egg yolk were able to retain the sperm membrane integrity, whereas sperm capacitation andacrosome reaction were kept low. Caudal Epididymal Plasma-2 (CEP-2 added with 10% egg yolk seemedto give better protection towards the sperm membrane intact in comparison to andromed extender.

  1. Bigravity from gradient expansion

    Energy Technology Data Exchange (ETDEWEB)

    Yamashita, Yasuho [Yukawa Institute for Theoretical Physics, Kyoto University,606-8502, Kyoto (Japan); Tanaka, Takahiro [Yukawa Institute for Theoretical Physics, Kyoto University,606-8502, Kyoto (Japan); Department of Physics, Kyoto University,606-8502, Kyoto (Japan)

    2016-05-04

    We discuss how the ghost-free bigravity coupled with a single scalar field can be derived from a braneworld setup. We consider DGP two-brane model without radion stabilization. The bulk configuration is solved for given boundary metrics, and it is substituted back into the action to obtain the effective four-dimensional action. In order to obtain the ghost-free bigravity, we consider the gradient expansion in which the brane separation is supposed to be sufficiently small so that two boundary metrics are almost identical. The obtained effective theory is shown to be ghost free as expected, however, the interaction between two gravitons takes the Fierz-Pauli form at the leading order of the gradient expansion, even though we do not use the approximation of linear perturbation. We also find that the radion remains as a scalar field in the four-dimensional effective theory, but its coupling to the metrics is non-trivial.

  2. Polymer solution phase separation: Microgravity simulation

    Science.gov (United States)

    Cerny, Lawrence C.; Sutter, James K.

    1989-01-01

    In many multicomponent systems, a transition from a single phase of uniform composition to a multiphase state with separated regions of different composition can be induced by changes in temperature and shear. The density difference between the phase and thermal and/or shear gradients within the system results in buoyancy driven convection. These differences affect kinetics of the phase separation if the system has a sufficiently low viscosity. This investigation presents more preliminary developments of a theoretical model in order to describe effects of the buoyancy driven convection in phase separation kinetics. Polymer solutions were employed as model systems because of the ease with which density differences can be systematically varied and because of the importance of phase separation in the processing and properties of polymeric materials. The results indicate that the kinetics of the phase separation can be performed viscometrically using laser light scattering as a principle means of following the process quantitatively. Isopycnic polymer solutions were used to determine the viscosity and density difference limits for polymer phase separation.

  3. On the universality of the long-/short-range separation in multiconfigurational density-functional theory. II. Investigating f0 actinide species

    Science.gov (United States)

    Fromager, Emmanuel; Réal, Florent; Wâhlin, Pernilla; Wahlgren, Ulf; Jensen, Hans Jørgen Aa.

    2009-08-01

    In a previous paper [Fromager et al., J. Chem. Phys. 126, 074111 (2007)], some of the authors proposed a recipe for choosing the optimal value of the μ parameter that controls the long-range/short-range separation of the two-electron interaction in hybrid multiconfigurational self-consistent field short-range density-functional theory (MC-srDFT) methods. For general modeling with MC-srDFT methods, it is clearly desirable that the same universal value of μ can be used for any molecule. Their calculations on neutral light element compounds all yielded μopt=0.4 a.u. In this work the authors investigate the universality of this value by considering "extreme" study cases, namely, neutral and charged isoelectronic f0 actinide compounds (ThO2, PaO2+, UO22+, UN2, CUO, and NpO23+). We find for these compounds that μopt=0.3 a.u. but show that 0.4 a.u. is still acceptable. This is a promising result in the investigation of a universal range separation. The accuracy of the currently best MC-srDFT (μ =0.3 a.u.) approach has also been tested for equilibrium geometries. Though it performs as well as wave function theory and DFT for static-correlation-free systems, it fails in describing the neptunyl (VII) ion NpO23+ where static correlation is significant; bending is preferred at the MC-srDFT (μ =0.3 a.u.) level, whereas the molecule is known to be linear. This clearly shows the need for better short-range functionals, especially for the description of the short-range exchange. It also suggests that the bending tendencies observed in DFT for NpO23+ cannot be fully explained by the bad description of static correlation effects by standard functionals. A better description of the exchange seems to be essential too.

  4. Mathematical modeling of separated two-phase turbulent reactive flows using a filtered mass density function approach for large eddy simulation

    Science.gov (United States)

    Carrara, Mark David

    2006-04-01

    The overall objective of this dissertation is the development of a modeling and simulation approach for turbulent two-phase chemically reacting flows. A new full velocity-scalar filtered mass density function (FMDF) formulation for large eddy simulation (LES) of a separated two-phase flow is developed. In this formulation several terms require modeling that include important conditionally averaged phase-coupling terms (PCT). To close the PCT a new derivation of the local instantaneous two-phase equations is presented and important identities are derived relating the PCT to surface averages. The formulation is then applied for two particle laden flow cases and solved using a full particle based Monte-Carlo numerical solution procedure. The first case is a temporally developing counter-current mixing layer dilutely seeded with evaporating water droplets. Validation studies reveal excellent agreement of the full particle method to previous hybrid FDF studies and direct numerical simulations for single-phase flows. One-way coupled simulations reveal that the overall dispersion is maximized with unity Stokes number droplets. Two-way coupled simulations reveal the advantages of two FDF approaches where the subgrid variation of droplet properties are explicitly taken into account. Comparisons of the fully-coupled FDF approach are compared to more approximate means of determining phase-coupling based on filtered properties and local and compounded global errors are assessed. The second case considered is the combustion aluminum particles. A new mechanistic model for the ignition and combustion of aluminum particulate is developed that accounts for unsteady heating, melting, heterogeneous surface reactions (HSR) and quasi-steady burning. Results of this model agree well with experimental data for overall burn rates and ignition times. Two-phase simulations of aluminum particulate seeded mixing layer reveal the variations in flame radius resulting in local extinguishment

  5. Motility-Induced Phase Separation

    Science.gov (United States)

    Cates, Michael E.; Tailleur, Julien

    2015-03-01

    Self-propelled particles include both self-phoretic synthetic colloids and various microorganisms. By continually consuming energy, they bypass the laws of equilibrium thermodynamics. These laws enforce the Boltzmann distribution in thermal equilibrium: The steady state is then independent of kinetic parameters. In contrast, self-propelled particles tend to accumulate where they move more slowly. They may also slow down at high density for either biochemical or steric reasons. This creates positive feedback, which can lead to motility-induced phase separation (MIPS) between dense and dilute fluid phases. At leading order in gradients, a mapping relates variable-speed, self-propelled particles to passive particles with attractions. This deep link to equilibrium phase separation is confirmed by simulations but generally breaks down at higher order in gradients: New effects, with no equilibrium counterpart, then emerge. We give a selective overview of the fast-developing field of MIPS, focusing on theory and simulation but including a brief speculative survey of its experimental implications.

  6. Hydrophobic character of surface regions and total hydrophobicity of four variants of chromosomal class C beta-lactamase from Pseudomonas aeruginosa are identical. Chromatographic comparison of the hydrophobic character of the variants and the effect of focusing buffer composition on the separation of the variants by chromatofocusing with internal and external pH gradients.

    Science.gov (United States)

    Walther-Rasmussen, J; Høiby, N

    2000-09-15

    The hydrophobic character of class C beta-lactamase molecular variants from Pseudomonas aeruginosa was compared by hydrophobic interaction chromatography and reversed-phase liquid chromatography, respectively. Separation of the variants by hydrophobic interaction chromatography was not achieved by modifying salt and pH of mobile phases. Reversed-phase liquid chromatography of the variants resulted in almost identical retention times. The results showed that the hydrophobic character of surface regions as well as total hydrophobicity of the variants are identical. The resolving power of external, internal and gradient chromatofocusing of the variants on strong and weak anion exchangers using low-molecular-mass buffers was compared to that of commercial ampholytes and showed no difference in separation pattern of the variants. Comparisons of variant isoelectric point (pI) values determined by chromatofocusing and isoelectric focusing showed that pI values determined by gradient chromatofocusing were most similar to the pI values determined by isoelectric focusing.

  7. An Inexpensive Digital Gradient Controller for HPLC.

    Science.gov (United States)

    Brady, James E.; Carr, Peter W.

    1983-01-01

    Use of gradient elution techniques in high performance liquid chromatography (HPLC) is often essential for direct separation of complex mixtures. Since most commercial controllers have features that are of marginal value for instructional purposes, a low-cost controller capable of illustrating essential features of gradient elution was developed.…

  8. An Inexpensive Digital Gradient Controller for HPLC.

    Science.gov (United States)

    Brady, James E.; Carr, Peter W.

    1983-01-01

    Use of gradient elution techniques in high performance liquid chromatography (HPLC) is often essential for direct separation of complex mixtures. Since most commercial controllers have features that are of marginal value for instructional purposes, a low-cost controller capable of illustrating essential features of gradient elution was developed.…

  9. An investigation of hydrogen-bonding effects on the nitrogen and hydrogen electric field gradient and chemical shielding tensors in the 9-methyladenine real crystalline structure: a density functional theory study.

    Science.gov (United States)

    Mirzaei, Mahmoud; Hadipour, Nasser L

    2006-04-13

    Hydrogen-bonding effects in the real crystalline structure of 9-methyladenine, 9-MA, were studied using calculated electric field gradient, EFG, and chemical shielding, CS, tensors for nitrogen and hydrogen nuclei via density functional theory. The calculations were carried out at the B3LYP and B3PW91 levels with the 6-311++G basis set via the Gaussian 98 package. Nuclear quadrupole coupling constants, C(Q), and asymmetry parameters, eta(Q), are reported for (14)N and (2)H. The chemical shielding anisotropy, Deltasigma, and chemical shielding isotropy, sigma(iso), are also reported for (15)N and (1)H. The difference between the calculated parameters of the monomer and heptameric layer-like cluster 9-MA shows how much H-bonding interactions affect the EFG and CS tensors of each nucleus. This result indicates that N(10) (imino nitrogen) has a major role in H-bonding interactions, whereas that of N(9) is negligible. There is good agreement between the present calculated parameters and reported experimental data. Although some discrepancies were observed, this could be attributed to the different conditions which were applied for calculation and the experiments.

  10. Rev1, Rev3, or Rev7 siRNA Abolishes Ultraviolet Light-Induced Translesion Replication in HeLa Cells: A Comprehensive Study Using Alkaline Sucrose Density Gradient Sedimentation

    Directory of Open Access Journals (Sweden)

    Jun Takezawa

    2010-01-01

    Full Text Available When a replicative DNA polymerase stalls upon encountering a lesion on the template strand, it is relieved by other low-processivity polymerase(s, which insert nucleotide(s opposite the lesion, extend by a few nucleotides, and dissociate from the 3′-OH. The replicative polymerase then resumes DNA synthesis. This process, termed translesion replication (TLS or replicative bypass, may involve at least five different polymerases in mammals, although the participating polymerases and their roles have not been entirely characterized. Using siRNAs originally designed and an alkaline sucrose density gradient sedimentation technique, we verified the involvement of several polymerases in ultraviolet (UV light-induced TLS in HeLa cells. First, siRNAs to Rev3 or Rev7 largely abolished UV-TLS, suggesting that these 2 gene products, which comprise Polζ, play a main role in mutagenic TLS. Second, Rev1-targeted siRNA also abrogated UV-TLS, indicating that Rev1 is also indispensable to mutagenic TLS. Third, Polη-targeted siRNA also prevented TLS to a greater extent than our expectations. Forth, although siRNA to Polι had no detectable effect, that to Polκ delayed UV-TLS. To our knowledge, this is the first study reporting apparent evidence for the participation of Polκ in UV-TLS.

  11. Enriching the fetal nuclear red blood cells by intervening membrane ionic channels and density gradient centrifugation%干预离子通道联合密度梯度离心富集胎儿有核红细胞

    Institute of Scientific and Technical Information of China (English)

    刘芳; 白亚娜; 张丽娜; 徐向红; 程宁

    2011-01-01

    Objective To investigate the effectiveness of the Nucleated Red Blood Cells' enrichment by intervening membrance ionic channels-K + /Cl- cotransporter and density gradient centrifugation in umbilical cord blood. Methods Setting up optical Intervening condition of maximal change of cell volume from RBCs on umbilical cord blood, the harvest rate of cell enrichment by different density medium centrifugation were determined by flow cytometry. Results Compared to traditional enriching method, the average purity of NRBC enrichment in the umbilical cord blood could take from 8. 6% to 69. 9% by centrifugation of 1. 065 g/L medium and 55. 9% by 1. 099 g/L medium after intervening, which means to respectively increase enrichment of NRBC. Conclusion Both urea intervention and density centrifugation may effectively promote the harvest rate of the NRBC enrichment.%目的 探讨干预膜表面K-CI同向转运体(KCC)离子通道联合密度梯度离心对富集脐血中胎儿有核红细胞(NRBC)的效果.方法 用KCC特异激活剂尿素(Urea)干预细胞膜,建立最大限度缩小细胞体积的干预条件;用最佳干预条件干预脐血后进行不同密度介质下离心富集NRBC,用流式细胞仪计数NRBC的富集效果.结果 比较传统1.077淋巴细胞分离液离心后的单个核细胞层流式细胞仪计数NRBC为8.6%,干预脐血后用1.065密度介质离心后下层NRBC达69.9%,未干预组中用1.099密度介质离心的单个核细胞层NRBC达55.9%,提高了富集量.结论 尿素干预联合密度梯度离心能有效提高NRBC的富集率.

  12. 密度梯度离心结合贴壁法培养成年大鼠骨髓间充质干细胞的生物学特性%Biological characteristics of bone marrow-derived mesenchymal stem cells cultured by density gradient centrifugation combined with adherence in adult rats

    Institute of Scientific and Technical Information of China (English)

    杨玉霞; 郑健樑; 张平; 林健贤; 张文忻

    2007-01-01

    BACKGROUND: It is important to study the methods of culturing bone marrow-derived mesenchymal stem cells (MSCs) to obtain a great amount of high purity MSCs for applying ocular tissues constructed by tissue engineering technique to treat eye diseases.OBJECTTVE: To separate and culture in vitro MSCs from bone marrow of the adult rats by density gradient centrifugation combined with adherence culture, and observe the growing characteristics and the possibility of mass multiplication.DESIGN: A completely randomized grouping design/repetitive measuring experiment.SETTING: Pathological laboratory, Zhongshan Ophthalmic Center, Sun Yat-sen University.MATERIALS: Four six-week-old SD rats about 250 g, grade Ⅱ of cleaning, were provided by the Animal Center of Sun Yat-sen University [certificate number: SCSK(Yue)2004/0011], about 250 g each rat and there was no limit to the sex. The main reagents and instruments included low sugar Dulbecco modified Eagle culture medium (DMEM/F12, American Gibco Corporation), trypsin (fetal bovine serum (FBS, Hangzhou Sijiqing Bio-Engineering Material Research Institute), American Gibco Corporation), disodium edetate, lymphocyte separating medium, fibronectin, CD44, CD34, CD31 monoclonal antibodies, two-step-method kit for immunohistochemistry (Beijing Zhong shan Biotechnology Corporation).METHODS: This experiment was conducted at the Key laboratory of Ophthalmology (Sun Yat-sen University), Ministry of ethanol (750 g/L) for 10 minutes. Under aseptic condition, the medullaris cavitas was exposed, the syringe containing application m edium was directly punctured into the femoral cavity, the cells in the medullaris cavitas were washed out with the culture medium containing heparin and taken as the cell suspension. The bone marrow-derived MSCs were separated and purified by density gradient centrifugation combined with adherence culture, and the growing conditions of the wells. When the cells had generally connected with each other, they were

  13. Mapping and identification of HeLa cell proteins separated by immobilized pH-gradient two-dimensional gel electrophoresis and construction of a two-dimensional polyacrylamide gel electrophoresis database

    DEFF Research Database (Denmark)

    Shaw, AC; Rossel Larsen, M; Roepstorff, P

    1999-01-01

    improvements of two-dimensional gel electrophoresis with immobilized pH gradients (IPG) compared to isoelectric focusing with carrier ampholytes, a highly reproducible method for examining global changes in HeLa cell protein expression due to different stimuli is now available. Therefore, we have initiated...

  14. Mapping and identification of HeLa cell proteins separated by immobilized pH-gradient two-dimensional gel electrophoresis and construction of a two-dimensional polyacrylamide gel electrophoresis database

    DEFF Research Database (Denmark)

    Shaw, AC; Rossel Larsen, M; Roepstorff, P

    1999-01-01

    improvements of two-dimensional gel electrophoresis with immobilized pH gradients (IPG) compared to isoelectric focusing with carrier ampholytes, a highly reproducible method for examining global changes in HeLa cell protein expression due to different stimuli is now available. Therefore, we have initiated...

  15. INFLUENCES OF SLOPE GRADIENT ON SOIL EROSION

    Institute of Scientific and Technical Information of China (English)

    刘青泉; 陈力; 李家春

    2001-01-01

    The main factors influencing soil erosion include the net rain excess, the water depth, the velocity, the shear stress of overland flows , and the erosion-resisting capacity of soil. The laws of these factors varying with the slope gradient were investigated by using the kinematic wave theory. Furthermore, the critical slope gradient of erosion was driven. The analysis shows that the critical slope gradient of soil erosion is dependent on grain size , soil bulk density , surface roughness, runoff length, net rain excess, and the friction coefficient of soil, etc. The critical slope gradient has been estimated theoretically with its range between 41. 5 °~ 50°.

  16. Biomimetic Gradient Polymers with Enhanced Damping Capacities.

    Science.gov (United States)

    Wang, Dong; Zhang, Huan; Guo, Jing; Cheng, Beichen; Cao, Yuan; Lu, Shengjun; Zhao, Ning; Xu, Jian

    2016-04-01

    Designing gradient structures, mimicking biological materials, such as pummelo peels and tendon, is a promising strategy for developing advanced materials with superior energy damping capacities. Here a facile and effective approach for fabricating polymers with composition gradients at millimeter length scale is presented. The gradient thiol-ene polymers (TEPs) are created by the use of density difference of ternary thiol-ene-ene precursors and the subsequent photo-crosslinking via thiol-ene reaction. The compositional gradients are analyzed via differential scanning calorimeter (DSC), compressive modulus testing, atomic force microscopy (AFM) indentation, and swelling measurements. In contrast to homogeneous TEPs networks, the resultant gradient polymer shows a broader effective damping temperature range combining with good mechanical properties. The present result provides an effective route toward high damping materials by the fabrication of gradient structures.

  17. Density/area power-law models for separating multi-scale anomalies of ore and toxic elements in stream sediments in Gejiu mineral district, Yunnan Province, China

    Directory of Open Access Journals (Sweden)

    Q. Cheng

    2010-10-01

    Full Text Available This contribution introduces a fractal filtering technique newly developed on the basis of a spectral energy density vs. area power-law model in the context of multifractal theory. It can be used to map anisotropic singularities of geochemical landscapes created from geochemical concentration values in various surface media such as soils, stream sediments, tills and water. A geochemical landscape can be converted into a Fourier domain in which the spectral energy density is plotted against the area (in wave number units, and the relationship between the spectrum energy density (S and the area (A enclosed by the above-threshold spectrum energy density can be fitted by power-law models. Mixed geochemical landscape patterns can be fitted with different S-A power-law models in the frequency domain. Fractal filters can be defined according to these different S-A models and used to decompose the geochemical patterns into components with different self-similarities. The fractal filtering method was applied to a geochemical dataset from 7,349 stream sediment samples collected from Gejiu mineral district, which is famous for its word-class tin and copper production. Anomalies in three different scales were decomposed from total values of the trace elements As, Sn, Cu, Zn, Pb, and Cd. These anomalies generally correspond to various geological features and geological processes such as sedimentary rocks, intrusions, fault intersections and mineralization.

  18. Gradient Descent Bit Flipping Algorithms for Decoding LDPC Codes

    OpenAIRE

    Wadayama, Tadashi; Nakamura, Keisuke; Yagita, Masayuki; Funahashi, Yuuki; Usami, Shogo; Takumi, Ichi

    2007-01-01

    A novel class of bit-flipping (BF) algorithms for decoding low-density parity-check (LDPC) codes is presented. The proposed algorithms, which are called gradient descent bit flipping (GDBF) algorithms, can be regarded as simplified gradient descent algorithms. Based on gradient descent formulation, the proposed algorithms are naturally derived from a simple non-linear objective function.

  19. Chelation gradients for investigation of metal ion binding at silica surfaces.

    Science.gov (United States)

    Kannan, Balamurali; Higgins, Daniel A; Collinson, Maryanne M

    2014-08-26

    Centimeter-long surface gradients in bi- and tridentate chelating agents have been formed via controlled rate infusion, and the coordination of Cu(2+) and Zn(2+) to these surfaces has been examined as a function of distance by X-ray photoelectron spectroscopy (XPS). 3-(Trimethoxysilylpropyl)ethylenediamine and 3-(trimethoxysilylpropyl)diethylenetriamine were used as precursor silanes to form the chelation gradients. When the gradients were exposed to a metal ion solution, a series of coordination complexes formed along the length of the substrate. For both chelating agents at the three different concentrations studied, the amine content gradually increased from top to bottom as expected for a surface chemical gradient. While the Cu 2p peak area had nearly the same profile as nitrogen, the Zn 2p peak area did not and exhibited a plateau along much of the gradient. The normalized nitrogen-to-metal peak area ratio (N/M) was found to be highly dependent on the type of ligand, its surface concentration, and the type of metal ion. For Cu(2+), the N/M ratio ranged from 8 to 11 on the diamine gradient and was ∼4 on the triamine gradient, while for Zn(2+), the N/M ratio was 4-8 on diamine and 5-7 on triamine gradients. The extent of protonation of amine groups was higher for the diamine gradients, which could lead to an increased N/M ratio. Both 1:1 and 1:2 ligand/metal complexes along with dinuclear complexes are proposed to form, with their relative amounts dependent on the ligand, ligand density, and metal ion. Collectively, the methods and results described herein represent a new approach to study metal ion binding and coordination on surfaces, which is especially important to the extraction, preconcentration, and separation of metal ions.

  20. Separation of five compounds from leaves of Andrographis paniculata (Burm. f.) Nees by off-line two-dimensional high-speed counter-current chromatography combined with gradient and recycling elution.

    Science.gov (United States)

    Zhang, Li; Liu, Qi; Yu, Jingang; Zeng, Hualiang; Jiang, Shujing; Chen, Xiaoqing

    2015-05-01

    An off-line two-dimensional high-speed counter-current chromatography method combined with gradient and recycling elution mode was established to isolate terpenoids and flavones from the leaves of Andrographis paniculata (Burm. f.) Nees. By using the solvent systems composed of n-hexane/ethyl acetate/methanol/water with different volume ratios, five compounds including roseooside, 5,4'-dihydroxyflavonoid-7-O-β-d-pyranglucuronatebutylester, 7,8-dimethoxy-2'-hydroxy-5-O-β-d-glucopyranosyloxyflavon, 14-deoxyandrographiside, and andrographolide were successfully isolated. Purities of these isolated compounds were all over 95% as determined by high-performance liquid chromatography. Their structures were identified by UV, mass spectrometry, and (1) H NMR spectroscopy. It has been demonstrated that the combination of off-line two-dimensional high-speed counter-current chromatography with different elution modes is an efficient technique to isolate compounds from complex natural product extracts.

  1. Ionization Energies, Electron Affinities, and Polarization Energies of Organic Molecular Crystals: Quantitative Estimations from a Polarizable Continuum Model (PCM)–Tuned Range-Separated Density Functional Approach

    KAUST Repository

    Sun, Haitao

    2016-05-16

    We propose a new methodology for the first-principles description of the electronic properties relevant for charge transport in organic molecular crystals. This methodology, which is based on the combination of a non-empirical, optimally tuned range-separated hybrid functional with the polarizable continuum model, is applied to a series of eight representative molecular semiconductor crystals. We show that it provides ionization energies, electron affinities, and transport gaps in very good agreement with experimental values as well as with the results of many-body perturbation theory within the GW approximation at a fraction of the computational costs. Hence, this approach represents an easily applicable and computationally efficient tool to estimate the gas-to-crystal-phase shifts of the frontier-orbital quasiparticle energies in organic electronic materials.

  2. Attainable gravimetric and volumetric energy density of Li-S and li ion battery cells with solid separator-protected Li metal anodes.

    Science.gov (United States)

    McCloskey, Bryan D

    2015-11-19

    As a result of sulfur's high electrochemical capacity (1675 mA h/gs), lithium-sulfur batteries have received significant attention as a potential high-specific-energy alternative to current state-of-the-art rechargeable Li ion batteries. For Li-S batteries to compete with commercially available Li ion batteries, high-capacity anodes, such as those that use Li metal, will need to be enabled to fully exploit sulfur's high capacity. The development of Li metal anodes has focused on eliminating Coulombically inefficient and dendritic Li cycling, and to this end, an interesting direction of research is to protect Li metal by employing mechanically stiff solid-state Li(+) conductors, such as garnet phase Li7La3Zr2O12 (LLZO), NASICON-type Li1+xAlxTi2-x(PO4)3 (LATP), and Li2S-P2S5 glasses (LPS), as electrode separators. Basic calculations are used to quantify useful targets for solid Li metal protective separator thickness and cost to enable Li metal batteries in general and Li-S batteries specifically. Furthermore, maximum electrolyte-to-sulfur ratios that allow Li-S batteries to compete with Li ion batteries are calculated. The results presented here suggest that controlling the complex polysulfide speciation chemistry in Li-S cells with realistic, minimal electrolyte loading presents a meaningful opportunity to develop Li-S batteries that are competitive on a specific energy basis with current state-of-the-art Li ion batteries.

  3. Simulated null-gravity environments as applied to electrophoretic separations of biological species

    Science.gov (United States)

    Giannovario, J. A.; Griffin, R. N.

    1978-01-01

    The scale-up of electrophoretic separations to provide preparative quantities of materials has been hampered by gravity induced convection and sedimentation. The separation of biologically important species may be significantly enhanced by electrophoretic space processing. Simple demonstrations on past space flights have proven some principles. Several techniques have been evolved to study electrophoretic separations where the effects of gravity have been nullified or significantly reduced. These techniques employ mechanical design, density gradients and computer modeling. Utilization of these techniques for ground based studies will yield clues as to which biological species can be considered prime candidates for electrophoretic processing in zero-G.

  4. On the universality of the long-/short-range separation in multiconfigurational density-functional theory. II. Investigating f0 actinide species

    DEFF Research Database (Denmark)

    Fromager, Emmanuel; Réal, Florent; Wåhlin, Pernilla

    2009-01-01

    -range density-functional theory (MC-srDFT) methods. For general modeling with MC-srDFT methods, it is clearly desirable that the same universal value of mu can be used for any molecule. Their calculations on neutral light element compounds all yielded μ(opt)=0.4 a.u. In this work the authors investigate......+ where static correlation is significant; bending is preferred at the MC-srDFT (μ=0.3 a.u.) level, whereas the molecule is known to be linear. This clearly shows the need for better short-range functionals, especially for the description of the short-range exchange. It also suggests that the bending...

  5. Effect of the orbital-overlap dependence in the Meta Generalized Gradient Approximation

    CERN Document Server

    Sun, Jianwei; Ruzsinszky, Adrienn

    2012-01-01

    The dimensionless inhomogeneity parameter, $\\alpha$, characterizing the extent of orbital overlap, is disentangled for the first time, by the means of separability assumption, from the other dimensionless inhomogeneity parameter, s, the reduced density gradient,in the construction of a meta generalized gradient approximation (MGGA) for the exchange functional. We show that the formation of the intershell region between the outermost core and the valence of an atom within a solid is associated with an increase of $\\alpha$ and a decrease of $s$. This observation leads to a simple MGGA exchange functional, which interpolates between the single-orbital regime, where $\\alpha=0$, and the slowly varying density regime, where $\\alpha \\approx 1$, and then extrapolates to $\\alpha \\to \\infty$. The exchange enhancement factor penalizes the formation of the intershell region by increasing monotonically with $s$ and decreasing monotonically with $\\alpha$. When combined with a variant of the Perdew-Burke-Erzerhof (PBE) GGA ...

  6. On Separate Universes

    CERN Document Server

    Dai, Liang; Schmidt, Fabian

    2015-01-01

    The separate universe conjecture states that in General Relativity a density perturbation behaves locally (i.e. on scales much smaller than the wavelength of the mode) as a separate universe with different background density and curvature. We prove this conjecture for a spherical compensated tophat density perturbation of arbitrary amplitude and radius in $\\Lambda$CDM. We then use Conformal Fermi Coordinates to generalize this result to scalar perturbations of arbitrary configuration and scale in a general cosmology with a mixture of fluids, but to linear order in perturbations. In this case, the separate universe conjecture holds for the isotropic part of the perturbations. The anisotropic part on the other hand is exactly captured by a tidal field in the Newtonian form. We show that the separate universe picture is restricted to scales larger than the sound horizons of all fluid components. We then derive an expression for the locally measured matter bispectrum induced by a long-wavelength mode of arbitrary...

  7. The gradient flow in a twisted box

    Energy Technology Data Exchange (ETDEWEB)

    Ramos, Alberto [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC

    2013-08-15

    We study the perturbative behavior of the gradient flow in a twisted box. We apply this information to define a running coupling using the energy density of the flow field. We study the step-scaling function and the size of cutoff effects in SU(2) pure gauge theory. We conclude that the twisted gradient flow running coupling scheme is a valid strategy for step-scaling purposes due to the relatively mild cutoff effects and high precision.

  8. Short-length and high-density TiO2 nanorod arrays for the efficient charge separation interface in perovskite solar cells

    Science.gov (United States)

    Xiao, Guannan; Shi, Chengwu; Zhang, Zhengguo; Li, Nannan; Li, Long

    2017-05-01

    The TiO2 nanorod arrays with the length of 70 nm, the diameter of 20 nm, and the areal density of 1000 μm-2 were firstly prepared by the hydrothermal method using the aqueous grown solution of 38 mM titanium isopropoxide and 6 M hydrochloric acid at 170 °C for 60 min. Over-500 nm-thickness CH3NH3PbI3-xBrx absorber layers were successfully obtained by sequential deposition routes using 1.7 M PbI2·DMSO complex precursor solution and 0.465 M isopropanol solution of the methylammonium halide mixture with the molar ratio of CH3NH3I/CH3NH3Br=85/15. The perovskite solar cells based on the TiO2 nanorod array and 560 nm-thickness CH3NH3PbI3-xBrx absorber layer exhibited the best photoelectric conversion efficiency (PCE) of 15.93%, while the corresponding planar perovskite solar cells without the TiO2 nanorod array and with 530 nm-thickness CH3NH3PbI3-xBrx absorber layer gave the best PCE of 12.82% at the relative humidity of 50-54%.

  9. Experimental investigation of a temperature separation effect inside a short vortex chamber

    CERN Document Server

    Beliavsky, Yan

    2012-01-01

    Room temperature compressed air was pumped into a short (H/D = 0.18) vortex chamber. Experiments revealed temperature separation. The highest temperature of the periphery was 465 degC, and the lowest temperature of the central zone was -45 degC. During the process, heat was transferred to periphery in the opposite direction of the powerful vortex flow. This heat transfer cannot be explained by conventional heat transfer processes. To explain this phenomenon, the concept of Pressure Gradient Waves (PGW) is proposed in the paper. PGW are elastic waves which operate in compressible fluids with pressure gradients and density fluctuations.

  10. Characteristics of organic matter fractions separated by wet-sieving and differences in density from five soils of different pedogenesis under mature beech forest.

    Science.gov (United States)

    Vormstein, Svendja; Kaiser, Michael; Ludwig, Bernard

    2017-04-01

    Forest top- and subsoil account for approximately 70 % of the organic C (OC) globally stored in soil reasoning their large importance for terrestrial ecosystem services such as the mitigation of climate change. In contrast to forest topsoil, there is much less information about the decomposition and stabilization of organic matter (OM) in subsoil. Therefore, we sampled the pedogenetic horizons of five soils under mature beech forest developed on different parent material (i.e. Tertiary Sand, Loess, Basalt, Lime Stone, Red Sandstone) down to the bedrock. The bulk soil samples were characterized for texture, oxalate and dithionite soluble Fe and Al, pH, OC, microbial biomass C and basal respiration (cumulative CO2 emission after 7 and 14 days). Furthermore, we analyzed aggregate size fractions separated by wet-sieving (i.e. >1000 µm, 1000-250 µm, 250-53 µm, 1000 µm). In contrast, the major part of the topsoil OC on Basalt and Tertiary Sand was found in the smaller macro-aggregates (1000-250 µm). For the topsoil samples, we found that the basal respiration as well as the microbial biomass C were positively correlated (p ≤0.05) with the OC amounts associated with the free and occluded light fraction and with the macro-aggregates (1000-250 µm) and micro-aggregates (250-53 µm) suggesting these fractions to store the major part of the easily decomposable OM. The OC amount associated with the heavy fraction and the fraction important for the OM stabilization in forest topsoil. In the subsoil (horizons below the Ah), the contribution of the OC associated with the aggregate size fractions 53 µm were positively correlated with basal respiration and the microbial biomass C. This suggests, in contrast to the topsoil, the easily decomposable OM to be distributed more homogeneously among fractions. Only the OC content of the relevant stabilization mechanisms. The results point toward similar OM stabilization mechanisms in the analysed forest top- and subsoils but

  11. Separation of empty microcapsules after microencapsulation of porcine neonatal islets.

    Science.gov (United States)

    Shin, Soojeong; Yoo, Young Je

    2013-12-01

    Pancreatic islet transplantation is used to treat diabetes mellitus that has minimal complications and avoids hypoglycemic shock. Conformal microencapsulation of pancreatic islets improves their function by blocking immunogenic molecules while protecting fragile islets. However, production of empty alginate capsules during microencapsulation causes enlargement of the transplantation volume of the encapsulated islets and interferes with efficient transfer of nutrients and insulin. In this study, empty alginate capsules were separated after microencapsulation of neonatal porcine islet-like cell clusters (NPCC) using density-gradient centrifugation. Densities of NPCC and alginate capsules were determined using Percoll. Encapsulation products following alginate removal were 97 % of products, with less than 10 % of the capsules remaining empty. The viability of this process compared with manually-selected encapsulated islets indicates the separation process does not harm islets.

  12. Stringy bounces and gradient instabilities

    CERN Document Server

    Giovannini, Massimo

    2017-01-01

    Bouncing solutions are obtained from a generally covariant action characterized by a potential which is a nonlocal functional of the dilaton field at two separated space-time points. Gradient instabilities are shown to arise in this context but they are argued to be nongeneric. After performing a gauge-invariant and frame-invariant derivation of the evolution equations of the fluctuations, a heuristic criterium for the avoidance of pathological instabilities is proposed and corroborated by a number of explicit examples that turn out to be compatible with a quasi-flat spectrum of curvature inhomogeneities for typical wavelengths larger than the Hubble radius.

  13. Electric field gradients in Hg compounds

    DEFF Research Database (Denmark)

    Arcisauskaité, Vaida; Knecht, Stefan; Sauer, Stephan P. A.

    2012-01-01

    We examine the performance of Density Functional Theory (DFT) approaches based on the Zeroth-Order Regular Approximation (ZORA) Hamiltonian (with and without inclusion of spinorbit coupling) for predictions of electric ¿eld gradients (EFGs) at the heavy atom Hg nucleus. This is achieved by compar......We examine the performance of Density Functional Theory (DFT) approaches based on the Zeroth-Order Regular Approximation (ZORA) Hamiltonian (with and without inclusion of spinorbit coupling) for predictions of electric ¿eld gradients (EFGs) at the heavy atom Hg nucleus. This is achieved...

  14. Gradients are shaping up.

    Science.gov (United States)

    Bollenbach, Tobias; Heisenberg, Carl-Philipp

    2015-04-23

    In animal embryos, morphogen gradients determine tissue patterning and morphogenesis. Shyer et al. provide evidence that, during vertebrate gut formation, tissue folding generates graded activity of signals required for subsequent steps of gut growth and differentiation, thereby revealing an intriguing link between tissue morphogenesis and morphogen gradient formation.

  15. Fast Distributed Gradient Methods

    CERN Document Server

    Jakovetic, Dusan; Moura, Jose M F

    2011-01-01

    The paper proposes new fast distributed optimization gradient methods and proves convergence to the exact solution at rate O(\\log k/k), much faster than existing distributed optimization (sub)gradient methods with convergence O(1/\\sqrt{k}), while incurring practically no additional communication nor computation cost overhead per iteration. We achieve this for convex (with at least one strongly convex,) coercive, three times differentiable and with Lipschitz continuous first derivative (private) cost functions. Our work recovers for distributed optimization similar convergence rate gains obtained by centralized Nesterov gradient and fast iterative shrinkage-thresholding algorithm (FISTA) methods over ordinary centralized gradient methods. We also present a constant step size distributed fast gradient algorithm for composite non-differentiable costs. A simulation illustrates the effectiveness of our distributed methods.

  16. Excitation gradients across the CND. Constraining the heating processes.

    Science.gov (United States)

    Requena Torres, Miguel Angel

    2012-10-01

    We propose to follow-up on our successful CO excitation study towards the circum-nuclear disk that was performed with SOFA/GREAT Basic Science data (A&A in press). Our analysis has revealed the high-excitation state of the molecular gas, which is described by a superposition of various warm gas phases (with several 100 K gas temperatures but only moderate gas densities). We concluded that the molecular clumps are not stable against tidal disruption and must be transient. Here we suggest to study the excitation gradient ACROSS the CND gas (probing 3 positions with increasing galactocentric radius). This will allow us to separate possible heating scenarios that might account for the elevated gas temperatures: is the gas heated locally, by dissipation of inter/intraclump shocks, or is there a dominant release of energy from the central cavity (outflows, radiation field). The radial excitation profile will be different between those escenarios.

  17. Magnetic separation in microfluidic systems

    DEFF Research Database (Denmark)

    Smistrup, Kristian

    2007-01-01

    This Ph.D. thesis presents theory, modeling, design, fabrication, experiments and results for microfluidic magnetic separators. A model for magnetic bead movement in a microfluidic channel is presented, and the limits of the model are discussed. The effective magnetic field gradient is defined...... for fabrication of silicon based systems. This fabrication scheme is explained, and it is shown how, it is applied with variations for several designs of magnetic separators. An experimental setup for magnetic separation experiments has been developed. It has been coupled with an image analysis program....... It is shown conceptually how such a system can be applied for parallel biochemical processing in a microfluidic system. ’Passive’ magnetic separators are presented, where on-chip soft magnetic elements are magnetized by an external magnetic field and create strong magnetic fields and gradients inside...

  18. Magnetic Density Separation of Polyolefin Wastes

    NARCIS (Netherlands)

    Hu, B.

    2014-01-01

    Polymer recycling has significantly positive impacts on the environment, economics and society. Using recycled polymer to replace virgins reduces the growing amount of post-consumer polymer wastes, decreases the demand for fossil fuel and creates local jobs. As the most used polymer types, polyolefi

  19. Magnetic Density Separation of Polyolefin Wastes

    NARCIS (Netherlands)

    Hu, B.

    2014-01-01

    Polymer recycling has significantly positive impacts on the environment, economics and society. Using recycled polymer to replace virgins reduces the growing amount of post-consumer polymer wastes, decreases the demand for fossil fuel and creates local jobs. As the most used polymer types,

  20. Laser textured surface gradients

    Science.gov (United States)

    Ta, Van Duong; Dunn, Andrew; Wasley, Thomas J.; Li, Ji; Kay, Robert W.; Stringer, Jonathan; Smith, Patrick J.; Esenturk, Emre; Connaughton, Colm; Shephard, Jonathan D.

    2016-05-01

    This work demonstrates a novel technique for fabricating surfaces with roughness and wettability gradients and their subsequent applications for chemical sensors. Surface roughness gradients on brass sheets are obtained directly by nanosecond laser texturing. When these structured surfaces are exposed to air, their wettability decreases with time (up to 20 days) achieving both spatial and temporal wettability gradients. The surfaces are responsive to organic solvents. Contact angles of a series of dilute isopropanol solutions decay exponentially with concentration. In particular, a fall of 132° in contact angle is observed on a surface gradient, one order of magnitude higher than the 14° observed for the unprocessed surface, when the isopropanol concentration increased from 0 to 15.6 wt%. As the wettability changes gradually over the surface, contact angle also changes correspondingly. This effect offers multi-sensitivity at different zones on the surface and is useful for accurate measurement of chemical concentration.

  1. Second gradient poromechanics

    CERN Document Server

    Sciarra, Giulio; Coussy, Olivier

    2010-01-01

    Second gradient theories have been developed in mechanics for treating different phenomena as capillarity in fluids, plasticity and friction in granular materials or shear band deformations. Here, there is an attempt of formulating a second gradient Biot like model for porous materials. In particular the interest is focused in describing the local dilatant behaviour of a porous material induced by pore opening elastic and capillary interaction phenomena among neighbouring pores and related micro-filtration phenomena by means of a continuum microstructured model. The main idea is to extend the classical macroscopic Biot model by including in the description second gradient effects. This is done by assuming that the surface contribution to the external work rate functional depends on the normal derivative of the velocity or equivalently assuming that the strain work rate functional depends on the porosity and strain gradients. According to classical thermodynamics suitable restrictions for stresses and second g...

  2. Magnetic separation apparatus and methods

    NARCIS (Netherlands)

    Tibbe, Arjan; Scholtens, Tycho M.; Terstappen, Leon W.M.M.

    2010-01-01

    Apparatuses and methods for separating, immobilizing, and quantifying biological substances from within a fluid medium. Biological substances are observed by employing a vessel (6) having a chamber therein, the vessel comprising a transparent collection wall (5). A high internal gradient magnetic ca

  3. Separation Logic

    DEFF Research Database (Denmark)

    Reynolds, John C.

    2002-01-01

    expressions) for accessing and modifying shared structures, and for explicit allocation and deallocation of storage. Assertions are extended by introducing a "separating conjunction" that asserts that its sub-formulas hold for disjoint parts of the heap, and a closely related "separating implication". Coupled......, dynamically allocated arrays, and recursive procedures. We will also discuss promising future directions....

  4. Cell orientation gradients on an inverse opal substrate.

    Science.gov (United States)

    Lu, Jie; Zou, Xin; Zhao, Ze; Mu, Zhongde; Zhao, Yuanjin; Gu, Zhongze

    2015-05-20

    The generation of cell gradients is critical for understanding many biological systems and realizing the unique functionality of many implanted biomaterials. However, most previous work can only control the gradient of cell density and this has no effect on the gradient of cell orientation, which has an important role in regulating the functions of many connecting tissues. Here, we report on a simple stretched inverse opal substrate for establishing desired cell orientation gradients. It was demonstrated that tendon fibroblasts on the stretched inverse opal gradient showed a corresponding alignment along with the elongation gradient of the substrate. This "random-to-aligned" cell gradient reproduces the insertion part of many connecting tissues, and thus, will have important applications in tissue engineering.

  5. Phaco slice and separate.

    Science.gov (United States)

    Arshinoff, S A

    1999-04-01

    Phaco slice and separate retains the advantages of the chopping techniques of Nagahara, Koch, and Fukasaku but replaces chopping or snapping with slicing across the center of the phaco-tip-stabilized nucleus using a Nagahara chopper and then repositioning the chopper to optimally separate the divided lens halves. As the lens is rotated in the capsular bag, small pieces of the nuclear pie are sliced off, separated, emulsified, and aspirated. Emulsification and aspiration can alternatively be left until most or all the slices have been made. This technique works with a broader range of lens densities than other chopping techniques and uses no sculpting and very little phaco time. The phaco time required for this technique is relatively independent of nuclear density compared with a sculpting technique.

  6. Magnetic separation for environmental remediation

    Energy Technology Data Exchange (ETDEWEB)

    Schake, A.R.; Avens, L.R.; Hill, D.D.; Padilla, D.D.; Prenger, F.C.; Romero, D.A.; Worl, L.A. [Los Alamos National Lab., NM (United States); Tolt, T.L. [Lockheed Environmental Systems and Technologies Co., Las Vegas, NV (United States)

    1994-11-01

    High Gradient Magnetic Separation (HGMS) is a form of magnetic separation used to separate solids from other solids, liquids or gases. HGMS uses large magnetic field gradients to separate ferromagnetic and paramagnetic particles from diamagnetic host materials. The technology relies only on physical properties, and therefore separations can be achieved while producing a minimum of secondary waste. Actinide and fission product wastes within the DOE weapons complex pose challenging problems for environmental remediation. Because the majority of actinide complexes and many fission products are paramagnetic, while most host materials are diamagnetic, HGMS can be used to concentrate the contaminants into a low volume waste stream. The authors are currently developing HGMS for applications to soil decontamination, liquid waste treatment, underground storage tank waste treatment, and actinide chemical processing residue concentration. Application of HGMS usually involves passing a slurry of the contaminated mixture through a magnetized volume. Field gradients are produced in the magnetized volume by a ferromagnetic matrix material, such as steel wool, expanded metal, iron shot, or nickel foam. The matrix fibers become trapping sites for ferromagnetic and paramagnetic particles in the host material. The particles with a positive susceptibility are attracted toward an increasing magnetic field gradient and can be extracted from diamagnetic particles, which react in the opposite direction, moving away from the areas of high field gradients. The extracted paramagnetic contaminants are flushed from the matrix fibers when the magnetic field is reduced to zero or when the matrix canister is removed from the magnetic field. Results are discussed for the removal of uranium trioxide from water, PuO{sub 2}, U, and Pu from various soils (Fernald, Nevada Test Site), and the waste water treatment of Pu and Am isotopes using HGMS.

  7. Convective heat flow in space cryogenics plugs - Critical and moderate He II heat flux densities

    Science.gov (United States)

    Yuan, S. W. K.; Frederking, T. H. K.

    1990-01-01

    Plug flow rates of entropy, heat and normal fluid in phase separators and in zero net mass flow systems are, to some extent, quite similar. A simplified analysis of critical conditions is presented in agreement with data trends. A critical temperature gradient arises on the basis of the He II two-fluid model at the stability limit constraining the thermohydrodynamics of the system. Thus, the question of critical thermodynamic fluctuations associated with nucleation versus the possibility of critical gradients in externally imposed parameters is answered in favor of the latter route toward turbulence. Furthermore, a similarity equation is presented which incorporates size dependent rates for moderate heat flow densities observed in experiments.

  8. Multiscale architectured materials with composition and grain size gradients manufactured using high-pressure torsion.

    Science.gov (United States)

    Kang, Ji Yun; Kim, Jung Gi; Park, Hyo Wook; Kim, Hyoung Seop

    2016-05-27

    The concept of multiscale architectured materials is established using composition and grain size gradients. Composition-gradient nanostructured materials are produced from coarse grained interstitial free steels via carburization and high-pressure torsion. Quantitative analyses of the dislocation density using X-ray diffraction and microstructural studies clearly demonstrate the gradients of the dislocation density and grain size. The mechanical properties of the gradient materials are compared with homogeneous nanostructured carbon steel without a composition gradient in an effort to investigate the gradient effect. Based on the above observations, the potential of multiscale architecturing to open a new material property is discussed.

  9. Mass Function Gradients and the Need for Dark Matter

    CERN Document Server

    Taylor, J A

    1998-01-01

    There is substantial evidence that the initial mass function (IMF) may be a function of the local star formation conditions. In particular, the IMF is predicted to flatten with increasing local luminosity density, with the formation of massive stars being preferentially enhanced in brighter regions. If IMF gradients are general features of galaxies, several previous astrophysical measurements, such as the surface mass densities of spirals (obtained assuming constant mass to light ratios), were plagued by substantial systematic errors. In this Letter, calculations which account for possible IMF gradients are presented of surface densities of spiral galaxies. Compared to previous estimates, the mass densities corrected for IMF gradients are higher in the outer regions of the disks. For a model based on the Milky Way but with an IMF scaled according to R136, the rotation curve without the traditional dark halo component falls with galactrocentric radius, though slower than it would without IMF gradients. For a s...

  10. High Gradient Accelerator Research

    Energy Technology Data Exchange (ETDEWEB)

    Temkin, Richard [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Physics. Plasma Science and Fusion Center

    2016-07-12

    The goal of the MIT program of research on high gradient acceleration is the development of advanced acceleration concepts that lead to a practical and affordable next generation linear collider at the TeV energy level. Other applications, which are more near-term, include accelerators for materials processing; medicine; defense; mining; security; and inspection. The specific goals of the MIT program are: • Pioneering theoretical research on advanced structures for high gradient acceleration, including photonic structures and metamaterial structures; evaluation of the wakefields in these advanced structures • Experimental research to demonstrate the properties of advanced structures both in low-power microwave cold test and high-power, high-gradient test at megawatt power levels • Experimental research on microwave breakdown at high gradient including studies of breakdown phenomena induced by RF electric fields and RF magnetic fields; development of new diagnostics of the breakdown process • Theoretical research on the physics and engineering features of RF vacuum breakdown • Maintaining and improving the Haimson / MIT 17 GHz accelerator, the highest frequency operational accelerator in the world, a unique facility for accelerator research • Providing the Haimson / MIT 17 GHz accelerator facility as a facility for outside users • Active participation in the US DOE program of High Gradient Collaboration, including joint work with SLAC and with Los Alamos National Laboratory; participation of MIT students in research at the national laboratories • Training the next generation of Ph. D. students in the field of accelerator physics.

  11. Predicting Bond Dissociation Energies of Transition-Metal Compounds by Multiconfiguration Pair-Density Functional Theory and Second-Order Perturbation Theory Based on Correlated Participating Orbitals and Separated Pairs.

    Science.gov (United States)

    Bao, Junwei Lucas; Odoh, Samuel O; Gagliardi, Laura; Truhlar, Donald G

    2017-02-14

    We study the performance of multiconfiguration pair-density functional theory (MC-PDFT) and multireference perturbation theory for the computation of the bond dissociation energies in 12 transition-metal-containing diatomic molecules and three small transition-metal-containing polyatomic molecules and in two transition-metal dimers. The first step is a multiconfiguration self-consistent-field calculation, for which two choices must be made: (i) the active space and (ii) its partition into subspaces, if the generalized active space formulation is used. In the present work, the active space is chosen systematically by using three correlated-participating-orbitals (CPO) schemes, and the partition is chosen by using the separated-pair (SP) approximation. Our calculations show that MC-PDFT generally has similar accuracy to CASPT2, and the active-space dependence of MC-PDFT is not very great for transition-metal-ligand bond dissociation energies. We also find that the SP approximation works very well, and in particular SP with the fully translated BLYP functional SP-ftBLYP is more accurate than CASPT2. SP greatly reduces the number of configuration state functions relative to CASSCF. For the cases of FeO and NiO with extended-CPO active space, for which complete active space calculations are unaffordable, SP calculations are not only affordable but also of satisfactory accuracy. All of the MC-PDFT results are significantly better than the corresponding results with broken-symmetry spin-unrestricted Kohn-Sham density functional theory. Finally we test a perturbation theory method based on the SP reference and find that it performs slightly worse than CASPT2 calculations, and for most cases of the nominal-CPO active space, the approximate SP perturbation theory calculations are less accurate than the much less expensive SP-PDFT calculations.

  12. Experimental investigation on possibility of oxygen enrichment by using gradient magnetic fields

    Institute of Scientific and Technical Information of China (English)

    CAI Jun; WANG Li; WU Ping; TONG Lige; SUN Shufeng

    2007-01-01

    This Papcr presents a novel method that uses the interception effect of gradient magnetic field on oxygen molecules to realize enrichment.The use of two opposite magnetic poles of two magnets at a certain distance forms a magnetic space having a field intensity gradient near its borders.When air injected into the magnetic space outflows from the magnetic space via its borders,oxygen molecules in the air will experience the interception effect of the gradient magnetic field,but nitrogen molecules will outflow from the magnetic space without hindrance.Thus,continuous oxygen enrichment is realized.The enrichment degree of oxygen reaches 0.65%when the inlet and outlet air flows are 40 mL/min and 20 mL/min,respectively,and the gas temperature is 298 K and the maximal product of magnetic flux density and its gradient is 563 T2/m(the distance between two magnetic poles is 1 mm).When the gas temperature rises to 343 K,the enrichment degree drops to 0.32%;and when the maximal product of magnetic flux density and field intensity gradient drops to 101 T2/m (the distance between two magnetic poles is 4 mm),the enrichment degree drops to 0.23%.The experimental results show that there is an optimal ratio between the inlet air flow and the outlet air flow.Under the experimental conditions in this paper,the value is about 2.0.It is demonstrated that the method presented in this paper can continuously enrich oxygen and has a higher enrichment degree than other oxygen-enrichment methods using magnetic separation.

  13. Inversion gradients for acoustic VTI wavefield tomography

    KAUST Repository

    Li, Vladimir

    2017-03-21

    Wavefield tomography can handle complex subsurface geology better than ray-based techniques and, ultimately, provide a higher resolution. Here, we implement forward and adjoint wavefield extrapolation for VTI (transversely isotropic with a vertical symmetry axis) media using a generalized pseudospectral operator based on a separable approximation for the P-wave dispersion relation. This operator is employed to derive the gradients of the differential semblance optimization (DSO) and modified image-power objective functions. We also obtain the gradient expressions for a data-domain objective function that can more easily incorporate borehole information necessary for stable VTI velocity analysis. These gradients are similar to the ones obtained with a space-time finite-difference (FD) scheme for a system of coupled wave equations but the pseudospectral method is not hampered by the imprint of the shear-wave artifact. Numerical examples also show the potential advantages of the modified image-power objective function in estimating the anellipticity parameter η.

  14. Uniform gradient expansions

    Directory of Open Access Journals (Sweden)

    Massimo Giovannini

    2015-06-01

    Full Text Available Cosmological singularities are often discussed by means of a gradient expansion that can also describe, during a quasi-de Sitter phase, the progressive suppression of curvature inhomogeneities. While the inflationary event horizon is being formed the two mentioned regimes coexist and a uniform expansion can be conceived and applied to the evolution of spatial gradients across the protoinflationary boundary. It is argued that conventional arguments addressing the preinflationary initial conditions are necessary but generally not sufficient to guarantee a homogeneous onset of the conventional inflationary stage.

  15. Uniform gradient expansions

    Energy Technology Data Exchange (ETDEWEB)

    Giovannini, Massimo, E-mail: massimo.giovannini@cern.ch [Department of Physics, Theory Division, CERN, 1211 Geneva 23 (Switzerland); INFN, Section of Milan-Bicocca, 20126 Milan (Italy)

    2015-06-30

    Cosmological singularities are often discussed by means of a gradient expansion that can also describe, during a quasi-de Sitter phase, the progressive suppression of curvature inhomogeneities. While the inflationary event horizon is being formed the two mentioned regimes coexist and a uniform expansion can be conceived and applied to the evolution of spatial gradients across the protoinflationary boundary. It is argued that conventional arguments addressing the preinflationary initial conditions are necessary but generally not sufficient to guarantee a homogeneous onset of the conventional inflationary stage.

  16. Gradient systems and mechanical systems

    Institute of Scientific and Technical Information of China (English)

    Fengxiang Mei; Huibin Wu

    2016-01-01

    All types of gradient systems and their properties are discussed. Two problems connected with gradient sys-tems and mechanical systems are studied. One is the direct problem of transforming a mechanical system into a gradi-ent system, and the other is the inverse problem, which is transforming a gradient system into a mechanical system.

  17. Collisional transport in a plasma with steep gradients

    Energy Technology Data Exchange (ETDEWEB)

    Wang, W.; Okamoto, M.; Nakajima, N.; Murakami, S. [National Inst. for Fusion Science, Toki, Gifu (Japan)

    1999-06-01

    The validity is given to the newly proposed two {delta}f method for neoclassical transport calculation, which can be solve the drift kinetic equation considering effects of steep plasma gradients, large radial electric field, finite banana width, and an orbit topology near the axis. The new method is applied to the study of ion transport with steep plasma gradients. It is found that the ion thermal diffusivity decreases as the scale length of density gradient decreases, while the ion particle flux due to ion-ion self collisions increases with increasing gradient. (author)

  18. Study of random sequential adsorption by means of the gradient method

    Science.gov (United States)

    Loscar, E. S.; Guisoni, N.; Albano, E. V.

    2012-02-01

    By using the gradient method (GM) we study random sequential adsorption (RSA) processes in two dimensions under a gradient constraint that is imposed on the adsorption probability along one axis of the sample. The GM has previously been applied successfully to absorbing phase transitions (both first and second order), and also to the percolation transition. Now, we show that by using the GM the two transitions involved in RSA processes, namely percolation and jamming, can be studied simultaneously by means of the same set of simulations and by using the same theoretical background. For this purpose we theoretically derive the relevant scaling relationships for the RSA of monomers and we tested our analytical results by means of numerical simulations performed upon RSA of both monomers and dimers. We also show that two differently defined interfaces, which run in the direction perpendicular to the axis where the adsorption probability gradient is applied and separate the high-density (large-adsorption probability) and the low-density (low-adsorption probability) regimes, capture the main features of the jamming and percolation transitions, respectively. According to the GM, the scaling behaviour of those interfaces is governed by the roughness exponent α = 1/(1 + ν), where ν is the suitable correlation length exponent. Besides, we present and discuss in a brief overview some achievements of the GM as applied to different physical situations, including a comparison of the critical exponents determined in the present paper with those already published in the literature.

  19. Separation of haemopoietic cells for biochemical investigation. Preparation of erythroid and myeloid cells from human and laboratory-animal bone marrow and the separation of erythroblasts according to their state of maturation.

    Science.gov (United States)

    Harrison, F L; Beswick, T M; Chesterton, C J

    1981-03-15

    The separation of haemopoietic bone-marrow cells by centrifugation through discontinuous density gradients of Percoll is described. This method was used to prepare fractions enriched in erythroblasts, myeloid blast cells or reticulocytes from bone marrow of anaemic and non-anaemic rabbits, from the marrow of other anaemic laboratory animals and from human samples. It is a simple, rapid, reproducible and inexpensive technique that can be readily adapted to suit individual requirements. Secondly, a convenient method is presented for the separation of large quantities of bone-marrow cells into fractions enriched in erythroblasts at different stages of maturation, by velocity sedimentation through a linear gradient of 1-2% sucrose at unit gravity. In vitro, erythroblasts adhere together strongly via a mechanism almost certainly involving a beta-galactoside-specific surface lectin termed erythroid developmental agglutinin. Since the efficiency of cell-separation techniques depends heavily on the maintenance of a single cell suspension in which each unit can move independently, the presence of an adhesive molecule at the cell surface is of considerable significance. The effect of washing the marrow with a lactose-containing medium, which has been shown to remove the agglutinin, was therefore investigated in relation to both methods. The separation on Percoll gradients is considerably enhanced by this treatment. In addition, the unit-gravity sedimentation gradient can be loaded with 5-10 times more cells after lactose extraction in comparison with intact marrow. Although enrichment is less, a useful fractionation according to maturation is still obtained.

  20. Time Rate Gradient Effects and Negative Mass

    Science.gov (United States)

    Miksch, Edmond

    2008-03-01

    The Harvard tower Experiment and tests with accurate atomic clocks show that a clock at a high elevation indicates more elapsed time than a clock at a low elevation, both clocks properly measuring time at their locations. This fact mandates that Newton's first law of motion be rewritten to cite impulse balance rather than force balance. Time rate gradient effects explain how the weight of a precisely vertical and precisely uniform electric field or a precisely vertical and precisely uniform magnetic field is supported in a precisely unidirectional gravitational field. Time rate gradient effects also explain how the weight of a unidirectional gravitational field is reacted. It is confirmed that the mass density of the gravitational field is negative. http://www.TimeRateGradient.com; http://www.Negative-Mass.com; http://www.EinsteinsElevator.com

  1. 不同密度红细胞的分离及其CR1受体表达与活性的研究%Different density red blood cell separation and the study of its CR1 in the cell membrane

    Institute of Scientific and Technical Information of China (English)

    周武; 王淑英; 汪德清

    2011-01-01

    Objective To study the relations between red blood cell density(cell age)and its expression and activity of complement receptor type 1.Methods Under the low speed centrifugation condition,we used the discontinuous density gradient separation, and divided the whole blood specimen into six fractions with different density ( 1.085,1.088,1.0893,1.091,1.092,1.094g/ml).The expression of CR1 on cell membrane in each fraction was determinated by the Flow Cytometry, and the activity of CR1 by erythrocyte rosette test of natural immune adhering tumor cell Results The data indicated that the mean corpuscular volume of red blood cells with different density reduced from ( 94.9 ± 3.8 ) fl to ( 87.2 ± 1.5 ) fl,downed 8.11%.But mean corpuscular hemoglobin concentration increased from.(282.5 ± 17.9 ) g/1 to (316.0 ± 23.7 ) g/l,increased by 11.86%.The positive rate of Erythrocyte CR1 receptor expression reduced from(73.71 ± 13.62)% to(49.13 ± 21.40) % ,and erythrocyte rosette test from( 61.0 ± 11.7) % to (27.0 ± 8.2) %.Among CR1 number, CR1 activeness and the cell density, they had certain relevance in each fraction.Conclusion The separation method we used could reflect the expression and activity of complement receptor type 1 changing along with the age of cells, and the physical property changed too.The red blood cell density correlated with cell age tightly.This separation method provided a methodological foundation of mature red blood cells about the association of function and age,and helped to further study the relationship between red blood cell metabolism and function, also helped to further study the function of stored red blood cell metabolic changes after infusion.%目的 探讨红细胞密度(天龄)与CR1受体表达及活性的关系.方法 低速离心条件(3 500 g,20 min)下,采用非连续密度梯度分离方法,将每份(10份)全血标本分为6个不同密度层次(1.085、1.088、1.089 3、1.091、1.092、1.094g/ml)的红细胞,用流式

  2. Random porous media and magnetic separation of magnetic colloids

    NARCIS (Netherlands)

    Baars, R.J.

    2016-01-01

    The separation of magnetic nanoparticles from a stable dispersion is a challenging task because of the nanoparticles' thermal motion and relatively small magnetic moments. Strong magnetic gradients are required to capture such particles, which can be achieved in a high-gradient magnetic separator. I

  3. Determination of complete velocity gradient tensor by using cinematographic stereoscopic PIV in a turbulent jet

    Energy Technology Data Exchange (ETDEWEB)

    Ganapathisubramani, B. [The University of Texas at Austin, Center for Aeromechanics Research, Austin, TX (United States); Imperial College London, Department of Aeronautics, London (United Kingdom); Lakshminarasimhan, K. [The University of Texas at Austin, Center for Aeromechanics Research, Austin, TX (United States); Sandia National Laboratories, Combustion Research Facility, Livermore, CA (United States); Clemens, N.T. [The University of Texas at Austin, Center for Aeromechanics Research, Austin, TX (United States)

    2007-06-15

    Cinematographic stereoscopic PIV measurements were performed in the far field of an axisymmetric co-flowing turbulent round jet (Re{sub T}{approx}150, where Re{sub T} is the Reynolds number based on Taylor micro scale) to resolve small and intermediate scales of turbulence. The time-resolved three-component PIV measurements were performed in a plane normal to the axis of the jet and the data were converted to quasi-instantaneous three-dimensional (volumetric) data by using Taylor's hypothesis. The availability of the quasi-three-dimensional data enabled the computation of all nine components of the velocity gradient tensor over a volume. The use of Taylor's hypothesis was validated by performing a separate set of time-resolved two component ''side-view'' PIV measurements in a plane along the jet axis. Probability density distributions of the velocity gradients computed using Taylor's hypothesis show good agreement with those computed directly with the spatially resolved data. The overall spatial structure of the gradients computed directly exhibits excellent similarity with that computed using Taylor's hypothesis. The accuracy of the velocity gradients computed from the pseudo-volume was assessed by computing the divergence error in the flow field. The root mean square (rms) of the divergence error relative to the magnitude of the velocity gradient tensor was found to be 0.25, which is consistent with results based on other gradient measurement techniques. The velocity gradients, vorticity components and mean dissipation in the self-similar far field of the jet were found to satisfy the axisymmetric isotropy conditions. The divergence error present in the data is attributed to the intrinsic uncertainty associated with performing stereoscopic PIV measurements and not to the use of Taylor's hypothesis. The divergence error in the data is found to affect areas of low gradient values and manifests as nonphysical values for

  4. Dropwise Condensation on a Radial Gradient Surface

    Science.gov (United States)

    Macner, Ashley; Daniel, Susan; Steen, Paul

    2013-11-01

    In transient dropwise condensation from steam onto a cool surface, distributions of drops evolve by nucleation, growth, and coalescence. This study examines how surface functionalization affects drop growth and coalescence. Surfaces are treated by silanization to deliver either a spatially uniform contact-angle (hydrophilic, neutral, and hydrophobic) or a radial gradient of contact-angles. The time evolution of number-density and associated drop-size distributions are reported. For a typical condensation experiment on a uniform angle surface, the number-density curves show two regimes: an initial increase in number-density as a result of nucleation and a subsequent decrease in number-density as a result of larger scale coalescence events. Without a removal mechanism, the fractional coverage, regardless of treatment, approaches unity. For the same angle-surface, the associated drop-size distributions progress through four different shapes along the growth curve. In contrast, for a radial gradient surface where removal by sweeping occurs, the number-density increases and then levels off to a value close to the maximum number-density that is well below unity coverage and only two shapes of distributions are observed. Implications for heat transfer will be discussed. This work was supported by a NASA Office of the Chief Technologist's Space Technology Research Fellowship.

  5. Adaptive microfluidic gradient generator for quantitative chemotaxis experiments

    Science.gov (United States)

    Anielski, Alexander; Pfannes, Eva K. B.; Beta, Carsten

    2017-03-01

    Chemotactic motion in a chemical gradient is an essential cellular function that controls many processes in the living world. For a better understanding and more detailed modelling of the underlying mechanisms of chemotaxis, quantitative investigations in controlled environments are needed. We developed a setup that allows us to separately address the dependencies of the chemotactic motion on the average background concentration and on the gradient steepness of the chemoattractant. In particular, both the background concentration and the gradient steepness can be kept constant at the position of the cell while it moves along in the gradient direction. This is achieved by generating a well-defined chemoattractant gradient using flow photolysis. In this approach, the chemoattractant is released by a light-induced reaction from a caged precursor in a microfluidic flow chamber upstream of the cell. The flow photolysis approach is combined with an automated real-time cell tracker that determines changes in the cell position and triggers movement of the microscope stage such that the cell motion is compensated and the cell remains at the same position in the gradient profile. The gradient profile can be either determined experimentally using a caged fluorescent dye or may be alternatively determined by numerical solutions of the corresponding physical model. To demonstrate the function of this adaptive microfluidic gradient generator, we compare the chemotactic motion of Dictyostelium discoideum cells in a static gradient and in a gradient that adapts to the position of the moving cell.

  6. Gradient chromatofocusing high-performance liquid chromatography. I. Practical aspects.

    Science.gov (United States)

    Liu, Y; Anderson, D J

    1997-02-21

    In this work, a versatile method for generating linear pH gradients using weak anion-exchange HPLC has been developed, which is termed gradient chromatofocusing high-performance liquid chromatography. This method utilizes a linear external pH gradient generated in the mobile phase entering the column (inlet pH gradient), superimposed on an internally-generated pH gradient within the column (column pH gradient), which results from the buffering action of the ion exchanger on the mobile phase and vice versa. The method shows significant advantages over conventional chromatofocusing, including: decreased expense due to the use of common buffer components, ease of adjusting the slope of the pH gradient produced at the outlet of the column (outlet pH gradient) through the manipulation of the inlet pH gradient and the ability of using high concentration buffers in the mobile phase. Chromatography of fibrinogen degradation products was done using gradient chromatofocusing. Bandwidths comparable to conventional chromatofocusing were obtained in the separation of fibrinogen degradation products.

  7. Gradient Bundle Analysis: A Full Topological Approach to Chemical Bonding

    CERN Document Server

    Morgenstern, Amanda

    2016-01-01

    The "chemical bond" is a central concept in molecular sciences, but there is no consensus as to what a bond actually is. Therefore, a variety of bonding models have been developed, each defining the structure of molecules in a different manner with the goal of explaining and predicting chemical properties. This thesis describes the initial development of gradient bundle analysis (GBA), a chemical bonding model that creates a high resolution picture of chemical interactions within the charge density framework. GBA is based on concepts from the quantum theory of atoms in molecules (QTAIM), but uses a more complete picture of the topology and geometry of the electron charge density to understand and predict bonding interactions. Gradient bundles are defined as volumes bounded by zero-flux surfaces (ZFSs) in the gradient of the charge density with well-defined energies. The structure of gradient bundles provides an avenue for detecting the locations of valence electrons, which correspond to reactive regions in a ...

  8. Constrained length minimum inductance gradient coil design.

    Science.gov (United States)

    Chronik, B A; Rutt, B K

    1998-02-01

    A gradient coil design algorithm capable of controlling the position of the homogeneous region of interest (ROI) with respect to the current-carrying wires is required for many advanced imaging and spectroscopy applications. A modified minimum inductance target field method that allows the placement of a set of constraints on the final current density is presented. This constrained current minimum inductance method is derived in the context of previous target field methods. Complete details are shown and all equations required for implementation of the algorithm are given. The method has been implemented on computer and applied to the design of both a 1:1 aspect ratio (length:diameter) central ROI and a 2:1 aspect ratio edge ROI gradient coil. The 1:1 design demonstrates that a general analytic method can be used to easily obtain very short gradient coil designs for use with specialized magnet systems. The edge gradient design demonstrates that designs that allow imaging of the neck region with a head sized gradient coil can be obtained, as well as other applications requiring edge-of-cylinder regions of uniformity.

  9. Thermodynamic coupling between gradient elasticity and a Cahn-Hilliard type of diffusion: size-dependent spinodal gaps

    Science.gov (United States)

    Tsagrakis, Ioannis; Aifantis, Elias C.

    2017-04-01

    In the electrode materials of lithium ion batteries, the large variations of Li concentration during the charge and discharge processes are often accompanied by phase separations to lithium-rich and lithium-poor states. In particular, when the composition of the material moves into the spinodal region (linearly unstable uniform compositions) or into the miscibility gap (metastable uniform compositions), it tends to decompose spontaneously under composition fluctuations. If the lattice mismatch of the two phases is not negligible, coherency strains arise affecting the decomposition process. Furthermore, when the dimensions of a specimen or a grain reduce down to the nanometer level, the phase transition mechanisms are also substantially influenced by the domain size. This size effect is interpreted in the present article by developing a thermodynamically consistent model of gradient elastodiffusion. The proposed formulation is based on the coupling of the standard Cahn-Hilliard type of diffusion and a simple gradient elasticity model that includes the gradient of volumetric strain in the expression of the Helmholtz free energy density. An initial boundary value problem is derived in terms of concentration and displacement fields, and linear stability analysis is employed to determine the contribution of concentration and strain gradient terms on the instability leading to spinodal decomposition. It is shown that the theoretical predictions are in accordance with the experimental trends, i.e., the spinodal concentration range shrinks (i.e., the tendency for phase separation is reduced) as the crystal size decreases. Moreover, depending on the interplay between the strain and the concentration gradient coefficients, the spinodal region can be completely suppressed below a critical crystal size. Spinodal characteristic length and time are also evaluated by considering the dominant instability mode during the primary stages of the decomposition process, and it is found

  10. Comparative study on efficacy of three sperm-separation techniques

    Institute of Scientific and Technical Information of China (English)

    LanXU; Ren-KangLU; LingCHEN; Yan-LuanZHENG

    2000-01-01

    Aim: To evaluate the comparative effectiveness of real-time sperm separation technique (Wang's tube method) and other two conventional methods in isolating high-quality sperm preparation, and to compare the spouse pregnancy rate in intrauterine insemination (IUI) with sperm preparations isolated by these methods. Methods: The effectiveness of the real-time sperm separation technique, the conventional swim-up and the Percoll discontinuous density gradient methods in isolating sperm preparations from 60 infertile patients (20 with apparently normal semen and 40, abnormal semen contaminated with microorganisms and other impurities) was evaluated and compared. The microorganisms to bere moved included bacteria, virus, Chlamydia trachomaticum, Ureaplsama urealyticum, etc. The spouse pregnancy rates in IUI with sperm preparations isolated by these three techniques from 80 oligoasthenoteratospermic patients werealso compared. Results: The quality (including the percentages of normal form, normal-chromatin and motilesperm, and the grade of motility) of sperm obtained by the real-time sperm separation technique was much higher ( P<0.01 ) as compared with those by the other two methods. The Wang's tube method was also more effective in removing microorganisms and other impurities. The method provided a higher IUI pregnancy rate than the other two sperm separation techniques ( P < 0.05). Conclusion: The real-time sperm separation technique is the most effective method so far available in isolating high-quality sperm samples to be used in assisted reproduction.

  11. Range-separated meta-GGA functional designed for noncovalent interactions

    CERN Document Server

    Modrzejewski, Marcin; Szczęśniak, Małgorzata M

    2014-01-01

    The accuracy of applying density functional theory to noncovalent interactions is hindered by errors arising from low-density regions of interaction-induced change in the density gradient, error compensation between correlation and exchange functionals, and dispersion double counting. A new exchange-correlation functional designed for noncovalent interactions is proposed to address these problems. The functional consists of the range-separated PBEsol exchange considered in two variants, pure and hybrid, and the semilocal correlation functional of Modrzejewski et al. [J. Chem. Phys. 137, 204121 (2012)] designed with the constraint satisfaction technique to smoothly connect with a dispersion term. Two variants of dispersion correction are appended to the correlation functional: the atom-atom pairwise additive DFT-D3 model and the density-dependent many-body dispersion with self-consistent screening (MBD-rsSCS). From these building blocks a set of four functionals is created to systematically examine the role of...

  12. GPS Separator

    CERN Multimedia

    2016-01-01

    Footage of the 70 degree ISOLDE GPS separator magnet MAG70 as well as the switchyard for the Central Mass and GLM (GPS Low Mass) and GHM (GPS High Mass) beamlines in the GPS separator zone. In the GPS20 vacuum sector equipment such as the long GPS scanner 482 / 483 unit, faraday cup FC 490, vacuum valves and wiregrid piston WG210 and WG475 and radiation monitors can also be seen. Also the RILIS laser guidance and trajectory can be seen, the GPS main beamgate switch box and the actual GLM, GHM and Central Beamline beamgates in the beamlines as well as the first electrostatic quadrupoles for the GPS lines. Close up of the GHM deflector plates motor and connections and the inspection glass at the GHM side of the switchyard.

  13. HRS Separator

    CERN Multimedia

    2016-01-01

    Footage of the 90 and 60 degree ISOLDE HRS separator magnets in the HRS separator zone. In the two vacuum sectors HRS20 and HRS30 equipment such as the HRS slits SL240, the HRS faraday cup FC300 and wiregrid WG210 can be spotted. Vacuum valves, turbo pumps, beamlines, quadrupoles, water and compressed air connections, DC and signal cabling can be seen throughout the video. The HRS main and user beamgate in the beamline between MAG90 and MAG60 and its switchboxes as well as all vacuum bellows and flanges are shown. Instrumentation such as the HRS scanner unit 482 / 483, the HRS WG470 wiregrid and slits piston can be seen. The different quadrupoles and supports are shown as well as the RILIS guidance tubes and installation at the magnets and the different radiation monitors.

  14. Increasing SLEDed Linac Gradient

    Energy Technology Data Exchange (ETDEWEB)

    Farkas, Zoltan D

    2001-11-08

    This note will show how to increase the SLED [1] gradient by varying Q{sub e}, the external Q of the SLED cavity, by increasing its Q{sub 0} and by increasing the compression ratio. If varying the external Q is to be effective, then the copper losses should be small so that Q{sub 0} >> Q{sub e}. Methods of varying Q{sub e} will be indicated but no experimental data will be presented. If we increase the klystron pulse width from 3.5 to 5 {micro}S and increase Q{sub 0} from the present 100000 to 300000, then the gradient increases by 19% and the beam energy increases from 50 to 60 GeV. This note will also discuss SLED operation at 11424 MHz, the NLC frequency. Without Q{sub e} switching, using SLED at 11424 MHz increases the SLAC gradient from 21 MV/m to 34 MV/m, and at the same repetition rate, uses about 1/5 of rf average power. If we also double the compression ratio, we reach 47 MV/m and over 100 GeV beam energy.

  15. Dropwise condensation on a cold gradient substrate

    Science.gov (United States)

    Macner, Ashley; Daniel, Susan; Steen, Paul

    2012-11-01

    Distributions of drops that arise from dropwise condensation evolve by nucleation, growth, and coalescence of drops. An understanding of how surface-energy gradients applied to the substrate affect drop growth and coalescence is needed for design of effective surfaces for large-scale dropwise condensation. Transient dropwise condensation from a vapor phase onto a cold and chemically treated surface is reported. The surfaces were treated to deliver either a uniform contact-angle or a gradient of contact-angles by silanization. The time evolution of drop-size and number-density distributions is reported. For a typical condensation experiment, the drop distributions advance through two stages: an increase in drop density as a result of nucleation and a decrease in drop density as a result of larger scale coalescence events. Because the experiment is transient in nature, the shape of the distribution can be used to predict the number of drop generations and their stage of development. Preliminary results for gradient surfaces will be discussed and compared against observations of behavior on uniformly coated surfaces. NASA Space Technology Research Fellowship (NSTRF).

  16. WASTE PRINTED CIRCUIT BOARDS SEPARATION IN ELECTROSTATIC SEPARATOR

    Directory of Open Access Journals (Sweden)

    Branimir Fuk

    2012-12-01

    Full Text Available Printed circuit boards from electronic waste are very important source of precious metals by recycling. The biggest challenge is liberation and separation of useful components; thin film which contains copper, zinc, tin, lead and precious metals like silver, gold and palladium from non useful components; polymers, ceramics and glass fibbers. The paper presents results for separation of shredded printed circuit boards from TV sets in electrostatic separator. Testing where conducted with material class 2/1 and 1/0.5 mm in laboratory on equipment for mineral processing. Results showed influence from independent variable; separation knife gradient, drum rotation speed and voltage on concentrate quality and recovery (the paper is published in Croatian.

  17. Evolution of the Radial Abundance Gradient and Cold Gas of the Galactic Disk

    Science.gov (United States)

    Qi-Shi, Chen; Rui-Xiang, Chang; Jun, Yin

    2014-10-01

    In order to understand the forming mechanism of the radial abun- dance gradient of the Galactic disk and the evolution of cold gas, we have con- structed a chemical evolution model of the Galactic disk, in which the star for- mation law concerned with molecular hydrogens is adopted, and the evolution of mass surface density is calculated for the molecular and atomic hydrogens separately, then the model predictions and the observed radial distributions of some physical quantities are compared. The result indicates that the model prediction is sensitive to the adopted infall timescale, the model which adopts the star formation law concerned with the molecular hydrogens can agree well with the major observed properties of the Galactic disk, especially can obtain naturally the radial oxygen abundance gradient of the Galactic disk, and the radial surface density profile of cold gas. The assumption of instantaneous or non-instantaneous recycling approximation has a small effect on the evolution of cold gas, especially in the case of rather low gas density.

  18. Application of microfluidic chip to realize controllable pH gradient

    Institute of Scientific and Technical Information of China (English)

    LUO Chunxiong; SUN Manhui; XU Luping; ZHANG Zhiling; C. Crozatier; CHEN Yong; JI Hang

    2005-01-01

    A kind of PH gradient microfluidic chips through soft-lithography microfabrication for isoelectric focusing (IEF) and high performance liquid chromatography (HPLC) is introduced here. These pH gradient chips have the advantages such as easy fabrication, controllable pH range and precision, isoelectric focusing and separation at the same time, low voltage for isoelectric focusing, and time stable pH gradient. This method has potential application to sample preparation, separation and analysis of microfluidic chips.

  19. The Differential Virial Theorem with Gradient Formulas for the Operators

    CERN Document Server

    Finley, James P

    2016-01-01

    A gradient dependent formula is derived for the spinless one-particle density-matrix operator z from the differential virial theorem. A gradient dependent formula is also derived for a spinless one-particle density-matrix operator that can replace the two operators of the differential virial theorem that arise from the kinetic energy operator. Other operators are also derived that can replace the operators mentioned above in the differential virial theorem; these operators depend on the real part of spinless one-particle density-matrix.

  20. Reinforcement Learning by Value Gradients

    CERN Document Server

    Fairbank, Michael

    2008-01-01

    The concept of the value-gradient is introduced and developed in the context of reinforcement learning. It is shown that by learning the value-gradients exploration or stochastic behaviour is no longer needed to find locally optimal trajectories. This is the main motivation for using value-gradients, and it is argued that learning value-gradients is the actual objective of any value-function learning algorithm for control problems. It is also argued that learning value-gradients is significantly more efficient than learning just the values, and this argument is supported in experiments by efficiency gains of several orders of magnitude, in several problem domains. Once value-gradients are introduced into learning, several analyses become possible. For example, a surprising equivalence between a value-gradient learning algorithm and a policy-gradient learning algorithm is proven, and this provides a robust convergence proof for control problems using a value function with a general function approximator.