Sample records for methods single particle
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Methods for forming particles from single source precursors
Fox, Robert V [Idaho Falls, ID; Rodriguez, Rene G [Pocatello, ID; Pak, Joshua [Pocatello, ID
2011-08-23
Single source precursors are subjected to carbon dioxide to form particles of material. The carbon dioxide may be in a supercritical state. Single source precursors also may be subjected to supercritical fluids other than supercritical carbon dioxide to form particles of material. The methods may be used to form nanoparticles. In some embodiments, the methods are used to form chalcopyrite materials. Devices such as, for example, semiconductor devices may be fabricated that include such particles. Methods of forming semiconductor devices include subjecting single source precursors to carbon dioxide to form particles of semiconductor material, and establishing electrical contact between the particles and an electrode.
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A novel method to study single-particle dynamics by the resistive pulse technique
NASA Astrophysics Data System (ADS)
Berge, L. I.; Feder, J.; Jøssang, T.
1989-08-01
We have developed a new method, a pressure-reversal technique, which extends the uses of the resistive pulse (Coulter counter) technique to single-particle dynamics. The resistive pulse technique measures the increase in resistance when particles suspended in an electrolyte are transported through a current-carrying aperture. By the new method, the pressure is reversed when a particle exits the pore. A trigger signal, derived from the particle pulses, is used to activate two miniature solenoid valves which serve as pressure switches. In this way, the particle reenters the pore. A single particle flowing back and forth may be studied over a long period of time. The time the particle spends outside the pore between reversals is variable from a few milliseconds to several seconds. We have so far used pore diameters in the range of 3-30 μm. The new technique enables us to study single-particle dissolution and single-particle flow dynamics. The experimental arrangement and the details of the new method are described together with some illustrative measurements.
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Single particle electrochemical sensors and methods of utilization
Schoeniger, Joseph [Oakland, CA; Flounders, Albert W [Berkeley, CA; Hughes, Robert C [Albuquerque, NM; Ricco, Antonio J [Los Gatos, CA; Wally, Karl [Lafayette, CA; Kravitz, Stanley H [Placitas, NM; Janek, Richard P [Oakland, CA
2006-04-04
The present invention discloses an electrochemical device for detecting single particles, and methods for using such a device to achieve high sensitivity for detecting particles such as bacteria, viruses, aggregates, immuno-complexes, molecules, or ionic species. The device provides for affinity-based electrochemical detection of particles with single-particle sensitivity. The disclosed device and methods are based on microelectrodes with surface-attached, affinity ligands (e.g., antibodies, combinatorial peptides, glycolipids) that bind selectively to some target particle species. The electrodes electrolyze chemical species present in the particle-containing solution, and particle interaction with a sensor element modulates its electrolytic activity. The devices may be used individually, employed as sensors, used in arrays for a single specific type of particle or for a range of particle types, or configured into arrays of sensors having both these attributes.
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Methods of forming semiconductor devices and devices formed using such methods
Fox, Robert V; Rodriguez, Rene G; Pak, Joshua
2013-05-21
Single source precursors are subjected to carbon dioxide to form particles of material. The carbon dioxide may be in a supercritical state. Single source precursors also may be subjected to supercritical fluids other than supercritical carbon dioxide to form particles of material. The methods may be used to form nanoparticles. In some embodiments, the methods are used to form chalcopyrite materials. Devices such as, for example, semiconductor devices may be fabricated that include such particles. Methods of forming semiconductor devices include subjecting single source precursors to carbon dioxide to form particles of semiconductor material, and establishing electrical contact between the particles and an electrode.
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Localization and force analysis at the single virus particle level using atomic force microscopy
DOE Office of Scientific and Technical Information (OSTI.GOV)
Liu, Chih-Hao; Horng, Jim-Tong; Chang, Jeng-Shian
2012-01-06
Highlights: Black-Right-Pointing-Pointer Localization of single virus particle. Black-Right-Pointing-Pointer Force measurements. Black-Right-Pointing-Pointer Force mapping. -- Abstract: Atomic force microscopy (AFM) is a vital instrument in nanobiotechnology. In this study, we developed a method that enables AFM to simultaneously measure specific unbinding force and map the viral glycoprotein at the single virus particle level. The average diameter of virus particles from AFM images and the specificity between the viral surface antigen and antibody probe were integrated to design a three-stage method that sets the measuring area to a single virus particle before obtaining the force measurements, where the influenza virus was usedmore » as the object of measurements. Based on the purposed method and performed analysis, several findings can be derived from the results. The mean unbinding force of a single virus particle can be quantified, and no significant difference exists in this value among virus particles. Furthermore, the repeatability of the proposed method is demonstrated. The force mapping images reveal that the distributions of surface viral antigens recognized by antibody probe were dispersed on the whole surface of individual virus particles under the proposed method and experimental criteria; meanwhile, the binding probabilities are similar among particles. This approach can be easily applied to most AFM systems without specific components or configurations. These results help understand the force-based analysis at the single virus particle level, and therefore, can reinforce the capability of AFM to investigate a specific type of viral surface protein and its distributions.« less
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NASA Astrophysics Data System (ADS)
Ishimoto, Hiroshi; Adachi, Satoru; Yamaguchi, Satoru; Tanikawa, Tomonori; Aoki, Teruo; Masuda, Kazuhiko
2018-04-01
Sizes and shapes of snow particles were determined from X-ray computed microtomography (micro-CT) images, and their single-scattering properties were calculated at visible and near-infrared wavelengths using a Geometrical Optics Method (GOM). We analyzed seven snow samples including fresh and aged artificial snow and natural snow obtained from field samples. Individual snow particles were numerically extracted, and the shape of each snow particle was defined by applying a rendering method. The size distribution and specific surface area distribution were estimated from the geometrical properties of the snow particles, and an effective particle radius was derived for each snow sample. The GOM calculations at wavelengths of 0.532 and 1.242 μm revealed that the realistic snow particles had similar scattering phase functions as those of previously modeled irregular shaped particles. Furthermore, distinct dendritic particles had a characteristic scattering phase function and asymmetry factor. The single-scattering properties of particles of effective radius reff were compared with the size-averaged single-scattering properties. We found that the particles of reff could be used as representative particles for calculating the average single-scattering properties of the snow. Furthermore, the single-scattering properties of the micro-CT particles were compared to those of particle shape models using our current snow retrieval algorithm. For the single-scattering phase function, the results of the micro-CT particles were consistent with those of a conceptual two-shape model. However, the particle size dependence differed for the single-scattering albedo and asymmetry factor.
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Improving z-tracking accuracy in the two-photon single-particle tracking microscope.
Liu, C; Liu, Y-L; Perillo, E P; Jiang, N; Dunn, A K; Yeh, H-C
2015-10-12
Here, we present a method that can improve the z-tracking accuracy of the recently invented TSUNAMI (Tracking of Single particles Using Nonlinear And Multiplexed Illumination) microscope. This method utilizes a maximum likelihood estimator (MLE) to determine the particle's 3D position that maximizes the likelihood of the observed time-correlated photon count distribution. Our Monte Carlo simulations show that the MLE-based tracking scheme can improve the z-tracking accuracy of TSUNAMI microscope by 1.7 fold. In addition, MLE is also found to reduce the temporal correlation of the z-tracking error. Taking advantage of the smaller and less temporally correlated z-tracking error, we have precisely recovered the hybridization-melting kinetics of a DNA model system from thousands of short single-particle trajectories in silico . Our method can be generally applied to other 3D single-particle tracking techniques.
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Improving z-tracking accuracy in the two-photon single-particle tracking microscope
DOE Office of Scientific and Technical Information (OSTI.GOV)
Liu, C.; Liu, Y.-L.; Perillo, E. P.
Here, we present a method that can improve the z-tracking accuracy of the recently invented TSUNAMI (Tracking of Single particles Using Nonlinear And Multiplexed Illumination) microscope. This method utilizes a maximum likelihood estimator (MLE) to determine the particle's 3D position that maximizes the likelihood of the observed time-correlated photon count distribution. Our Monte Carlo simulations show that the MLE-based tracking scheme can improve the z-tracking accuracy of TSUNAMI microscope by 1.7 fold. In addition, MLE is also found to reduce the temporal correlation of the z-tracking error. Taking advantage of the smaller and less temporally correlated z-tracking error, we havemore » precisely recovered the hybridization-melting kinetics of a DNA model system from thousands of short single-particle trajectories in silico. Our method can be generally applied to other 3D single-particle tracking techniques.« less
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Zhu, Yanan; Ouyang, Qi; Mao, Youdong
2017-07-21
Single-particle cryo-electron microscopy (cryo-EM) has become a mainstream tool for the structural determination of biological macromolecular complexes. However, high-resolution cryo-EM reconstruction often requires hundreds of thousands of single-particle images. Particle extraction from experimental micrographs thus can be laborious and presents a major practical bottleneck in cryo-EM structural determination. Existing computational methods for particle picking often use low-resolution templates for particle matching, making them susceptible to reference-dependent bias. It is critical to develop a highly efficient template-free method for the automatic recognition of particle images from cryo-EM micrographs. We developed a deep learning-based algorithmic framework, DeepEM, for single-particle recognition from noisy cryo-EM micrographs, enabling automated particle picking, selection and verification in an integrated fashion. The kernel of DeepEM is built upon a convolutional neural network (CNN) composed of eight layers, which can be recursively trained to be highly "knowledgeable". Our approach exhibits an improved performance and accuracy when tested on the standard KLH dataset. Application of DeepEM to several challenging experimental cryo-EM datasets demonstrated its ability to avoid the selection of un-wanted particles and non-particles even when true particles contain fewer features. The DeepEM methodology, derived from a deep CNN, allows automated particle extraction from raw cryo-EM micrographs in the absence of a template. It demonstrates an improved performance, objectivity and accuracy. Application of this novel method is expected to free the labor involved in single-particle verification, significantly improving the efficiency of cryo-EM data processing.
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A numerical method for shock driven multiphase flow with evaporating particles
NASA Astrophysics Data System (ADS)
Dahal, Jeevan; McFarland, Jacob A.
2017-09-01
A numerical method for predicting the interaction of active, phase changing particles in a shock driven flow is presented in this paper. The Particle-in-Cell (PIC) technique was used to couple particles in a Lagrangian coordinate system with a fluid in an Eulerian coordinate system. The Piecewise Parabolic Method (PPM) hydrodynamics solver was used for solving the conservation equations and was modified with mass, momentum, and energy source terms from the particle phase. The method was implemented in the open source hydrodynamics software FLASH, developed at the University of Chicago. A simple validation of the methods is accomplished by comparing velocity and temperature histories from a single particle simulation with the analytical solution. Furthermore, simple single particle parcel simulations were run at two different sizes to study the effect of particle size on vorticity deposition in a shock-driven multiphase instability. Large particles were found to have lower enstrophy production at early times and higher enstrophy dissipation at late times due to the advection of the particle vorticity source term through the carrier gas. A 2D shock-driven instability of a circular perturbation is studied in simulations and compared to previous experimental data as further validation of the numerical methods. The effect of the particle size distribution and particle evaporation is examined further for this case. The results show that larger particles reduce the vorticity deposition, while particle evaporation increases it. It is also shown that for a distribution of particles sizes the vorticity deposition is decreased compared to single particle size case at the mean diameter.
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Using the Image Analysis Method for Describing Soil Detachment by a Single Water Drop Impact
Ryżak, Magdalena; Bieganowski, Andrzej
2012-01-01
The aim of the present work was to develop a method based on image analysis for describing soil detachment caused by the impact of a single water drop. The method consisted of recording tracks made by splashed particles on blotting paper under an optical microscope. The analysis facilitated division of the recorded particle tracks on the paper into drops, “comets” and single particles. Additionally, the following relationships were determined: (i) the distances of splash; (ii) the surface areas of splash tracks into relation to distance; (iii) the surface areas of the solid phase transported over a given distance; and (iv) the ratio of the solid phase to the splash track area in relation to distance. Furthermore, the proposed method allowed estimation of the weight of soil transported by a single water drop splash in relation to the distance of the water drop impact. It was concluded that the method of image analysis of splashed particles facilitated analysing the results at very low water drop energy and generated by single water drops.
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Physical-geometric optics method for large size faceted particles.
Sun, Bingqiang; Yang, Ping; Kattawar, George W; Zhang, Xiaodong
2017-10-02
A new physical-geometric optics method is developed to compute the single-scattering properties of faceted particles. It incorporates a general absorption vector to accurately account for inhomogeneous wave effects, and subsequently yields the relevant analytical formulas effective and computationally efficient for absorptive scattering particles. A bundle of rays incident on a certain facet can be traced as a single beam. For a beam incident on multiple facets, a systematic beam-splitting technique based on computer graphics is used to split the original beam into several sub-beams so that each sub-beam is incident only on an individual facet. The new beam-splitting technique significantly reduces the computational burden. The present physical-geometric optics method can be generalized to arbitrary faceted particles with either convex or concave shapes and with a homogeneous or an inhomogeneous (e.g., a particle with a core) composition. The single-scattering properties of irregular convex homogeneous and inhomogeneous hexahedra are simulated and compared to their counterparts from two other methods including a numerically rigorous method.
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Fluorescence calibration method for single-particle aerosol fluorescence instruments
NASA Astrophysics Data System (ADS)
Shipley Robinson, Ellis; Gao, Ru-Shan; Schwarz, Joshua P.; Fahey, David W.; Perring, Anne E.
2017-05-01
Real-time, single-particle fluorescence instruments used to detect atmospheric bioaerosol particles are increasingly common, yet no standard fluorescence calibration method exists for this technique. This gap limits the utility of these instruments as quantitative tools and complicates comparisons between different measurement campaigns. To address this need, we have developed a method to produce size-selected particles with a known mass of fluorophore, which we use to calibrate the fluorescence detection of a Wideband Integrated Bioaerosol Sensor (WIBS-4A). We use mixed tryptophan-ammonium sulfate particles to calibrate one detector (FL1; excitation = 280 nm, emission = 310-400 nm) and pure quinine particles to calibrate the other (FL2; excitation = 280 nm, emission = 420-650 nm). The relationship between fluorescence and mass for the mixed tryptophan-ammonium sulfate particles is linear, while that for the pure quinine particles is nonlinear, likely indicating that not all of the quinine mass contributes to the observed fluorescence. Nonetheless, both materials produce a repeatable response between observed fluorescence and particle mass. This procedure allows users to set the detector gains to achieve a known absolute response, calculate the limits of detection for a given instrument, improve the repeatability of the instrumental setup, and facilitate intercomparisons between different instruments. We recommend calibration of single-particle fluorescence instruments using these methods.
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Real-time detection method and system for identifying individual aerosol particles
Gard, Eric E [San Francisco, CA; Coffee, Keith R [Patterson, CA; Frank, Matthias [Oakland, CA; Tobias, Herbert J [Kensington, CA; Fergenson, David P [Alamo, CA; Madden, Norm [Livermore, CA; Riot, Vincent J [Berkeley, CA; Steele, Paul T [Livermore, CA; Woods, Bruce W [Livermore, CA
2007-08-21
An improved method and system of identifying individual aerosol particles in real time. Sample aerosol particles are collimated, tracked, and screened to determine which ones qualify for mass spectrometric analysis based on predetermined qualification or selection criteria. Screening techniques include one or more of determining particle size, shape, symmetry, and fluorescence. Only qualifying particles passing all screening criteria are subject to desorption/ionization and single particle mass spectrometry to produce corresponding test spectra, which is used to determine the identities of each of the qualifying aerosol particles by comparing the test spectra against predetermined spectra for known particle types. In this manner, activation cycling of a particle ablation laser of a single particle mass spectrometer is reduced.
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NASA Technical Reports Server (NTRS)
Hirsch, David B.
2011-01-01
The scope of this International Technical Specification is to provide a method to determine the ignition susceptibility of materials and components to particle impact. The method can be used to determine the conditions at which ignition and consumption of a specimen material occurs when impacted by single or multiple particles entrained in a flow of gaseous oxygen (GOX). Alternatively, the method can be used to determine if a specific material or component is subject to ignition and sustained combustion in a given flow environment when impacted by single or multiple particles entrained in a flow of GOX.
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Single Charged Particle Identification in Nuclear Emulsion Using Multiple Coulomb Scattering Method
NASA Astrophysics Data System (ADS)
Tint, Khin T.; Endo, Yoko; Hoshino, Kaoru; Ito, Hiroki; Itonaga, Kazunori; Kinbara, Shinji; Kobayashi, Hidetaka; Mishina, Akihiro; Soe, Myint K.; Yoshida, Junya; Nakazawa, Kazuma
Development of particle identification technique for single charged particles such as Ξ- hyperon, proton, K- and π- mesons is on-going by measuring multiple Coulomb scattering in nuclear emulsion. We generated several thousands of tracks of the single charged particles in nuclear emulsion stacks with GEANT 4 simulation and obtained second difference in constant Sagitta Method. We found that recognition of Ξ- hyperon from π- mesons is well satisfied, although that from K- and proton are a little difficult. On the other hand, the consistency of second difference of real Ξ- hyperon and pi meson tracks and simulation results were also confirmed.
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Single exposure three-dimensional imaging of dusty plasma clusters.
Hartmann, Peter; Donkó, István; Donkó, Zoltán
2013-02-01
We have worked out the details of a single camera, single exposure method to perform three-dimensional imaging of a finite particle cluster. The procedure is based on the plenoptic imaging principle and utilizes a commercial Lytro light field still camera. We demonstrate the capabilities of our technique on a single layer particle cluster in a dusty plasma, where the camera is aligned and inclined at a small angle to the particle layer. The reconstruction of the third coordinate (depth) is found to be accurate and even shadowing particles can be identified.
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Szakács, Zoltán; Mészáros, Tamás; de Jonge, Marien I; Gyurcsányi, Róbert E
2018-05-30
Detection and counting of single virus particles in liquid samples are largely limited to narrow size distribution of viruses and purified formulations. To address these limitations, here we propose a calibration-free method that enables concurrently the selective recognition, counting and sizing of virus particles as demonstrated through the detection of human respiratory syncytial virus (RSV), an enveloped virus with a broad size distribution, in throat swab samples. RSV viruses were selectively labeled through their attachment glycoproteins (G) with fluorescent aptamers, which further enabled their identification, sizing and counting at the single particle level by fluorescent nanoparticle tracking analysis. The proposed approach seems to be generally applicable to virus detection and quantification. Moreover, it could be successfully applied to detect single RSV particles in swab samples of diagnostic relevance. Since the selective recognition is associated with the sizing of each detected particle, this method enables to discriminate viral elements linked to the virus as well as various virus forms and associations.
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Fox, Robert V.; Zhang, Fengyan; Rodriguez, Rene G.; Pak, Joshua J.; Sun, Chivin
2016-06-21
Single source precursors or pre-copolymers of single source precursors are subjected to microwave radiation to form particles of a I-III-VI.sub.2 material. Such particles may be formed in a wurtzite phase and may be converted to a chalcopyrite phase by, for example, exposure to heat. The particles in the wurtzite phase may have a substantially hexagonal shape that enables stacking into ordered layers. The particles in the wurtzite phase may be mixed with particles in the chalcopyrite phase (i.e., chalcopyrite nanoparticles) that may fill voids within the ordered layers of the particles in the wurtzite phase thus produce films with good coverage. In some embodiments, the methods are used to form layers of semiconductor materials comprising a I-III-VI.sub.2 material. Devices such as, for example, thin-film solar cells may be fabricated using such methods.
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High sensitivity fluorescent single particle and single molecule detection apparatus and method
Mathies, Richard A.; Peck, Konan; Stryer, Lubert
1990-01-01
Apparatus is described for ultrasensitive detection of single fluorescent particles down to the single fluorescent molecule limit in a fluid or on a substrate comprising means for illuminating a predetermined volume of the fluid or area of the substrate whereby to emit light including background light from the fluid and burst of photons from particles residing in the area. The photon burst is detected in real time to generate output representative signal. The signal is received and the burst of energy from the fluorescent particles is distinguished from the background energy to provide an indication of the number, location or concentration of the particles or molecules.
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Quasi-three-dimensional particle imaging with digital holography.
Kemppinen, Osku; Heinson, Yuli; Berg, Matthew
2017-05-01
In this work, approximate three-dimensional structures of microparticles are generated with digital holography using an automated focus method. This is done by stacking a collection of silhouette-like images of a particle reconstructed from a single in-line hologram. The method enables estimation of the particle size in the longitudinal and transverse dimensions. Using the discrete dipole approximation, the method is tested computationally by simulating holograms for a variety of particles and attempting to reconstruct the known three-dimensional structure. It is found that poor longitudinal resolution strongly perturbs the reconstructed structure, yet the method does provide an approximate sense for the structure's longitudinal dimension. The method is then applied to laboratory measurements of holograms of single microparticles and their scattering patterns.
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A Dose-Rate Effect in Single-Particle Electron Microscopy
Chen, James Z.; Sachse, Carsten; Xu, Chen; Mielke, Thorsten; Spahn, Christian M. T.; Grigorieff, Nikolaus
2008-01-01
A low beam-intensity, low electron-dose imaging method has been developed for single-particle electron cryo-microscopy (cryo-EM). Experiments indicate that the new technique can reduce beam-induced specimen movement and secondary radiolytic effects, such as “bubbling”. The improvement in image quality, especially for multiple-exposure data collection, will help single-particle cryo-EM to reach higher resolution. PMID:17977018
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Method for regeneration and activity improvement of syngas conversion catalyst
Lucki, Stanley J.; Brennan, James A.
1980-01-01
A method is disclosed for the treatment of single particle iron-containing syngas (synthes.s gas) conversion catalysts comprising iron, a crystalline acidic aluminosilicate zeolite having a silica to alumina ratio of at least 12, a pore size greater than about 5 Angstrom units and a constraint index of about 1-12 and a matrix. The catalyst does not contain promoters and the treatment is applicable to either the regeneration of said spent single particle iron-containing catalyst or for the initial activation of fresh catalyst. The treatment involves air oxidation, hydrogen reduction, followed by a second air oxidation and contact of the iron-containing single particle catalyst with syngas prior to its use for the catalytic conversion of said syngas. The single particle iron-containing catalysts are prepared from a water insoluble organic iron compound.
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Tracking Image Correlation: Combining Single-Particle Tracking and Image Correlation
Dupont, A.; Stirnnagel, K.; Lindemann, D.; Lamb, D.C.
2013-01-01
The interactions and coordination of biomolecules are crucial for most cellular functions. The observation of protein interactions in live cells may provide a better understanding of the underlying mechanisms. After fluorescent labeling of the interacting partners and live-cell microscopy, the colocalization is generally analyzed by quantitative global methods. Recent studies have addressed questions regarding the individual colocalization of moving biomolecules, usually by using single-particle tracking (SPT) and comparing the fluorescent intensities in both color channels. Here, we introduce a new method that combines SPT and correlation methods to obtain a dynamical 3D colocalization analysis along single trajectories of dual-colored particles. After 3D tracking, the colocalization is computed at each particle’s position via the local 3D image cross correlation of the two detection channels. For every particle analyzed, the output consists of the 3D trajectory, the time-resolved 3D colocalization information, and the fluorescence intensity in both channels. In addition, the cross-correlation analysis shows the 3D relative movement of the two fluorescent labels with an accuracy of 30 nm. We apply this method to the tracking of viral fusion events in live cells and demonstrate its capacity to obtain the time-resolved colocalization status of single particles in dense and noisy environments. PMID:23746509
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Bogren, Sara; Fornara, Andrea; Ludwig, Frank; del Puerto Morales, Maria; Steinhoff, Uwe; Fougt Hansen, Mikkel; Kazakova, Olga; Johansson, Christer
2015-01-01
This study presents classification of different magnetic single- and multi-core particle systems using their measured dynamic magnetic properties together with their nanocrystal and particle sizes. The dynamic magnetic properties are measured with AC (dynamical) susceptometry and magnetorelaxometry and the size parameters are determined from electron microscopy and dynamic light scattering. Using these methods, we also show that the nanocrystal size and particle morphology determines the dynamic magnetic properties for both single- and multi-core particles. The presented results are obtained from the four year EU NMP FP7 project, NanoMag, which is focused on standardization of analysis methods for magnetic nanoparticles. PMID:26343639
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NASA Astrophysics Data System (ADS)
Gong, Z.; Wang, C.; Pan, Y. L.; Videen, G.
2017-12-01
Heterogeneous reactions of solid particles in a gaseous environment are of increasing interest; however, most of the heterogeneous chemistry studies of airborne solids were conducted on particle ensembles. A close examination on the heterogeneous chemistry between single particles and gaseous-environment species is the key to elucidate the fundamental mechanisms of hydroscopic growth, cloud nuclei condensation, secondary aerosol formation, etc., and reduce the uncertainty of models in radiative forcing, climate change, and atmospheric chemistry. We demonstrate an optical trapping-Raman spectroscopy (OT-RS) system to study the heterogeneous chemistry of the solid particles in air at single-particle level. Compared to other single-particle techniques, optical trapping offers a non-invasive, flexible, and stable method to isolate single solid particle from substrates. Benefited from two counter-propagating hollow beams, the optical trapping configuration is adaptive to trap a variety of particles with different materials from inorganic substitution (carbon nanotubes, silica, etc.) to organic, dye-doped polymers and bioaerosols (spores, pollen, etc.), with different optical properties from transparent to strongly absorbing, with different sizes from sub-micrometers to tens of microns, or with distinct morphologies from loosely packed nanotubes to microspheres and irregular pollen grains. The particles in the optical trap may stay unchanged, surface degraded, or optically fragmented according to different laser intensity, and their physical and chemical properties are characterized by the Raman spectra and imaging system simultaneously. The Raman spectra is able to distinguish the chemical compositions of different particles, while the synchronized imaging system can resolve their physical properties (sizes, shapes, morphologies, etc.). The temporal behavior of the trapped particles also can be monitored by the OT-RS system at an indefinite time with a resolution from 10 ms to 5 min, which can be further applied to monitor the dynamics of heterogeneous reactions. The OT-RS system provides a flexible method to characterize and monitor the physical properties and heterogeneous chemistry of optically trapped solid particles in gaseous environment at single-particle level.
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Single charging events on colloidal particles in a nonpolar liquid with surfactant
NASA Astrophysics Data System (ADS)
Schreuer, Caspar; Vandewiele, Stijn; Brans, Toon; Strubbe, Filip; Neyts, Kristiaan; Beunis, Filip
2018-01-01
Electrical charging of colloidal particles in nonpolar liquids due to surfactant additives is investigated intensively, motivated by its importance in a variety of applications. Most methods rely on average electrophoretic mobility measurements of many particles, which provide only indirect information on the charging mechanism. In the present work, we present a method that allows us to obtain direct information on the charging mechanism, by measuring the charge fluctuations on individual particles with a precision higher than the elementary charge using optical trapping electrophoresis. We demonstrate the capabilities of the method by studying the influence of added surfactant OLOA 11000 on the charging of single colloidal PMMA particles in dodecane. The particle charge and the frequency of charging events are investigated both below and above the critical micelle concentration (CMC) and with or without applying a DC offset voltage. It is found that at least two separate charging mechanisms are present below the critical micelle concentration. One mechanism is a process where the particle is stripped from negatively charged ionic molecules. An increase in the charging frequency with increased surfactant concentration suggests a second mechanism that involves single surfactant molecules. Above the CMC, neutral inverse micelles can also be involved in the charging process.
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Tracking single particle rotation: Probing dynamics in four dimensions
Anthony, Stephen Michael; Yu, Yan
2015-04-29
Direct visualization and tracking of small particles at high spatial and temporal resolution provides a powerful approach to probing complex dynamics and interactions in chemical and biological processes. Analysis of the rotational dynamics of particles adds a new dimension of information that is otherwise impossible to obtain with conventional 3-D particle tracking. In this review, we survey recent advances in single-particle rotational tracking, with highlights on the rotational tracking of optically anisotropic Janus particles. Furthermore, strengths and weaknesses of the various particle tracking methods, and their applications are discussed.
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Single-image diffusion coefficient measurements of proteins in free solution.
Zareh, Shannon Kian; DeSantis, Michael C; Kessler, Jonathan M; Li, Je-Luen; Wang, Y M
2012-04-04
Diffusion coefficient measurements are important for many biological and material investigations, such as studies of particle dynamics and kinetics, and size determinations. Among current measurement methods, single particle tracking (SPT) offers the unique ability to simultaneously obtain location and diffusion information about a molecule while using only femtomoles of sample. However, the temporal resolution of SPT is limited to seconds for single-color-labeled samples. By directly imaging three-dimensional diffusing fluorescent proteins and studying the widths of their intensity profiles, we were able to determine the proteins' diffusion coefficients using single protein images of submillisecond exposure times. This simple method improves the temporal resolution of diffusion coefficient measurements to submilliseconds, and can be readily applied to a range of particle sizes in SPT investigations and applications in which diffusion coefficient measurements are needed, such as reaction kinetics and particle size determinations. Copyright © 2012 Biophysical Society. Published by Elsevier Inc. All rights reserved.
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Single particle maximum likelihood reconstruction from superresolution microscopy images
Verdier, Timothée; Gunzenhauser, Julia; Manley, Suliana; Castelnovo, Martin
2017-01-01
Point localization superresolution microscopy enables fluorescently tagged molecules to be imaged beyond the optical diffraction limit, reaching single molecule localization precisions down to a few nanometers. For small objects whose sizes are few times this precision, localization uncertainty prevents the straightforward extraction of a structural model from the reconstructed images. We demonstrate in the present work that this limitation can be overcome at the single particle level, requiring no particle averaging, by using a maximum likelihood reconstruction (MLR) method perfectly suited to the stochastic nature of such superresolution imaging. We validate this method by extracting structural information from both simulated and experimental PALM data of immature virus-like particles of the Human Immunodeficiency Virus (HIV-1). MLR allows us to measure the radii of individual viruses with precision of a few nanometers and confirms the incomplete closure of the viral protein lattice. The quantitative results of our analysis are consistent with previous cryoelectron microscopy characterizations. Our study establishes the framework for a method that can be broadly applied to PALM data to determine the structural parameters for an existing structural model, and is particularly well suited to heterogeneous features due to its single particle implementation. PMID:28253349
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NASA Astrophysics Data System (ADS)
Takakura, T.; Yanagi, I.; Goto, Y.; Ishige, Y.; Kohara, Y.
2016-03-01
We developed a resistive-pulse sensor with a solid-state pore and measured the latex agglutination of submicron particles induced by antigen-antibody interaction for single-molecule detection of proteins. We fabricated the pore based on numerical simulation to clearly distinguish between monomer and dimer latex particles. By measuring single dimers agglutinated in the single-molecule regime, we detected single human alpha-fetoprotein molecules. Adjusting the initial particle concentration improves the limit of detection (LOD) to 95 fmol/l. We established a theoretical model of the LOD by combining the reaction kinetics and the counting statistics to explain the effect of initial particle concentration on the LOD. The theoretical model shows how to improve the LOD quantitatively. The single-molecule detection studied here indicates the feasibility of implementing a highly sensitive immunoassay by a simple measurement method using resistive-pulse sensing.
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Particle tracking by using single coefficient of Wigner-Ville distribution
NASA Astrophysics Data System (ADS)
Widjaja, J.; Dawprateep, S.; Chuamchaitrakool, P.; Meemon, P.
2016-11-01
A new method for extracting information from particle holograms by using a single coefficient of Wigner-Ville distribution (WVD) is proposed to obviate drawbacks of conventional numerical reconstructions. Our previous study found that analysis of the holograms by using the WVD gives output coefficients which are mainly confined along a diagonal direction intercepted at the origin of the WVD plane. The slope of this diagonal direction is inversely proportional to the particle position. One of these coefficients always has minimum amplitude, regardless of the particle position. By detecting position of the coefficient with minimum amplitude in the WVD plane, the particle position can be accurately measured. The proposed method is verified through computer simulations.
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NASA Astrophysics Data System (ADS)
Al-Mashat, H.; Kristensen, L.; Sultana, C. M.; Prather, K. A.
2016-12-01
The ability to distinguish types of particles present within a cloud is important for determining accurate inputs to climate models. The chemical composition of particles within cloud liquid droplets and ice crystals can have a significant impact on the timing, location, and amount of precipitation that falls. Precipitation efficiency is increased by the presence of ice crystals in clouds, and both mineral dust and biological aerosols have been shown to be effective ice nucleating particles (INPs) in the atmosphere. A current challenge in aerosol science is distinguishing mineral dust and biological material in the analysis of real-time, ambient, single-particle mass spectral data. Single-particle mass spectrometers are capable of measuring the size-resolved chemical composition of individual atmospheric particles. However, there is no consistent analytical method for distinguishing dust and biological aerosols. Sampling and characterization of control samples (i.e. of known identity) of mineral dust and bacteria were performed by the Aerosol Time-of-Flight Mass Spectrometer (ATOFMS) as part of the Fifth Ice Nucleation (FIN01) Workshop at the Aerosol Interaction and Dynamics in the Atmosphere (AIDA) facility in Karlsruhe, Germany. Using data collected by the ATOFMS of control samples, a new metric has been developed to classify single particles as dust or biological independent of spectral cluster analysis. This method, involving the use of a ratio of mass spectral peak areas for organic nitrogen and silicates, is easily reproducible and does not rely on extensive knowledge of particle chemistry or the ionization characteristics of mass spectrometers. This represents a step toward rapidly distinguishing particle types responsible for ice nucleation activity during real-time sampling in clouds. The ability to distinguish types of particles present within a cloud is important for determining accurate inputs to climate models. The chemical composition of particles within cloud liquid droplets and ice crystals can have a significant impact on the timing, location, and amount of precipitation that falls. Precipitation efficiency is increased by the presence of ice crystals in clouds, and both mineral dust and biological aerosols have been shown to be effective ice nucleating particles (INPs) in the atmosphere. A current challenge in aerosol science is distinguishing mineral dust and biological material in the analysis of real-time, ambient, single-particle mass spectral data. Single-particle mass spectrometers are capable of measuring the size-resolved chemical composition of individual atmospheric particles. However, there is no consistent analytical method for distinguishing dust and biological aerosols. Sampling and characterization of control samples (i.e. of known identity) of mineral dust and bacteria were performed by the Aerosol Time-of-Flight Mass Spectrometer (ATOFMS) as part of the Fifth Ice Nucleation (FIN01) Workshop at the Aerosol Interaction and Dynamics in the Atmosphere (AIDA) facility in Karlsruhe, Germany. Using data collected by the ATOFMS of control samples, a new metric has been developed to classify single particles as dust or biological independent of spectral cluster analysis. This method, involving the use of a ratio of mass spectral peak areas for organic nitrogen and silicates, is easily reproducible and does not rely on extensive knowledge of particle chemistry or the ionization characteristics of mass spectrometers. This represents a step toward rapidly distinguishing particle types responsible for ice nucleation activity during real-time sampling in clouds.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Mulford, Roberta Nancy
Particle sizes determined for a single lot of incoming Russian fuel and for a lot of fuel after aqueous processing are compared with particle sizes measured on fuel after ball-milling. The single samples of each type are believed to have particle size distributions typical of oxide from similar lots, as the processing of fuel lots is fairly uniform. Variation between lots is, as yet, uncharacterized. Sampling and particle size measurement methods are discussed elsewhere.
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Constant-pressure nested sampling with atomistic dynamics
NASA Astrophysics Data System (ADS)
Baldock, Robert J. N.; Bernstein, Noam; Salerno, K. Michael; Pártay, Lívia B.; Csányi, Gábor
2017-10-01
The nested sampling algorithm has been shown to be a general method for calculating the pressure-temperature-composition phase diagrams of materials. While the previous implementation used single-particle Monte Carlo moves, these are inefficient for condensed systems with general interactions where single-particle moves cannot be evaluated faster than the energy of the whole system. Here we enhance the method by using all-particle moves: either Galilean Monte Carlo or the total enthalpy Hamiltonian Monte Carlo algorithm, introduced in this paper. We show that these algorithms enable the determination of phase transition temperatures with equivalent accuracy to the previous method at 1 /N of the cost for an N -particle system with general interactions, or at equal cost when single-particle moves can be done in 1 /N of the cost of a full N -particle energy evaluation. We demonstrate this speed-up for the freezing and condensation transitions of the Lennard-Jones system and show the utility of the algorithms by calculating the order-disorder phase transition of a binary Lennard-Jones model alloy, the eutectic of copper-gold, the density anomaly of water, and the condensation and solidification of bead-spring polymers. The nested sampling method with all three algorithms is implemented in the pymatnest software.
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Terakawa, Mitsuhiro; Tsunoi, Yasuyuki; Mitsuhashi, Tatsuki
2012-01-01
Pulsed laser interaction with small metallic and dielectric particles has been receiving attention as a method of drug delivery to many cells. However, most of the particles are attended by many risks, which are mainly dependent upon particle size. Unlike other widely used particles, biodegradable particles have advantages of being broken down and eliminated by innate metabolic processes. In this paper, the perforation of cell membrane by a focused spot with transparent biodegradable microspheres excited by a single 800 nm, 80 fs laser pulse is demonstrated. A polylactic acid (PLA) sphere, a biodegradable polymer, was used. Fluorescein isothiocyanate (FITC)-dextran and short interfering RNA were delivered into many human epithelial carcinoma cells (A431 cells) by applying a single 80 fs laser pulse in the presence of antibody-conjugated PLA microspheres. The focused intensity was also simulated by the three-dimensional finite-difference time-domain method. Perforation by biodegradable spheres compared with other particles has the potential to be a much safer phototherapy and drug delivery method for patients. The present method can open a new avenue, which is considered an efficient adherent for the selective perforation of cells which express the specific antigen on the cell membrane. PMID:22679375
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Probing the magnetic behavior of single nanodots.
Neumann, Alexander; Thönnissen, Carsten; Frauen, Axel; Hesse, Simon; Meyer, Andreas; Oepen, Hans Peter
2013-05-08
In this paper, a method is presented that has the sensitivity to measure magnetization behavior of single nanostructures. It is demonstrated that the technique gives the ability to separate different signals of single nanodots from a small ensemble of structures. Our method is based on the anomalous Hall-Effect and allows for resolving signals from spherical nanoparticles with diameter down to 3.5 nm. The method gives access to magnetic properties of particles in a wide thermal and dynamical range. The potential of the technique is demonstrated utilizing particles that are created from Co films sandwiched by Pt layers.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Gubler, Philipp, E-mail: pgubler@riken.jp; RIKEN Nishina Center, Wako, Saitama 351-0198; Yamamoto, Naoki
2015-05-15
Making use of the operator product expansion, we derive a general class of sum rules for the imaginary part of the single-particle self-energy of the unitary Fermi gas. The sum rules are analyzed numerically with the help of the maximum entropy method, which allows us to extract the single-particle spectral density as a function of both energy and momentum. These spectral densities contain basic information on the properties of the unitary Fermi gas, such as the dispersion relation and the superfluid pairing gap, for which we obtain reasonable agreement with the available results based on quantum Monte-Carlo simulations.
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USDA-ARS?s Scientific Manuscript database
Particle size distribution (PSD) is perhaps the most important physical parameter governing the airborne particle behavior. Various methods and techniques are available for conducting PSD analyses. Unfortunately, there is no single agreed upon method to determine the PSDs of particulate matter (PM) ...
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Optimal noise reduction in 3D reconstructions of single particles using a volume-normalized filter
Sindelar, Charles V.; Grigorieff, Nikolaus
2012-01-01
The high noise level found in single-particle electron cryo-microscopy (cryo-EM) image data presents a special challenge for three-dimensional (3D) reconstruction of the imaged molecules. The spectral signal-to-noise ratio (SSNR) and related Fourier shell correlation (FSC) functions are commonly used to assess and mitigate the noise-generated error in the reconstruction. Calculation of the SSNR and FSC usually includes the noise in the solvent region surrounding the particle and therefore does not accurately reflect the signal in the particle density itself. Here we show that the SSNR in a reconstructed 3D particle map is linearly proportional to the fractional volume occupied by the particle. Using this relationship, we devise a novel filter (the “single-particle Wiener filter”) to minimize the error in a reconstructed particle map, if the particle volume is known. Moreover, we show how to approximate this filter even when the volume of the particle is not known, by optimizing the signal within a representative interior region of the particle. We show that the new filter improves on previously proposed error-reduction schemes, including the conventional Wiener filter as well as figure-of-merit weighting, and quantify the relationship between all of these methods by theoretical analysis as well as numeric evaluation of both simulated and experimentally collected data. The single-particle Wiener filter is applicable across a broad range of existing 3D reconstruction techniques, but is particularly well suited to the Fourier inversion method, leading to an efficient and accurate implementation. PMID:22613568
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A manual and an automatic TERS based virus discrimination
NASA Astrophysics Data System (ADS)
Olschewski, Konstanze; Kämmer, Evelyn; Stöckel, Stephan; Bocklitz, Thomas; Deckert-Gaudig, Tanja; Zell, Roland; Cialla-May, Dana; Weber, Karina; Deckert, Volker; Popp, Jürgen
2015-02-01
Rapid techniques for virus identification are more relevant today than ever. Conventional virus detection and identification strategies generally rest upon various microbiological methods and genomic approaches, which are not suited for the analysis of single virus particles. In contrast, the highly sensitive spectroscopic technique tip-enhanced Raman spectroscopy (TERS) allows the characterisation of biological nano-structures like virions on a single-particle level. In this study, the feasibility of TERS in combination with chemometrics to discriminate two pathogenic viruses, Varicella-zoster virus (VZV) and Porcine teschovirus (PTV), was investigated. In a first step, chemometric methods transformed the spectral data in such a way that a rapid visual discrimination of the two examined viruses was enabled. In a further step, these methods were utilised to perform an automatic quality rating of the measured spectra. Spectra that passed this test were eventually used to calculate a classification model, through which a successful discrimination of the two viral species based on TERS spectra of single virus particles was also realised with a classification accuracy of 91%.Rapid techniques for virus identification are more relevant today than ever. Conventional virus detection and identification strategies generally rest upon various microbiological methods and genomic approaches, which are not suited for the analysis of single virus particles. In contrast, the highly sensitive spectroscopic technique tip-enhanced Raman spectroscopy (TERS) allows the characterisation of biological nano-structures like virions on a single-particle level. In this study, the feasibility of TERS in combination with chemometrics to discriminate two pathogenic viruses, Varicella-zoster virus (VZV) and Porcine teschovirus (PTV), was investigated. In a first step, chemometric methods transformed the spectral data in such a way that a rapid visual discrimination of the two examined viruses was enabled. In a further step, these methods were utilised to perform an automatic quality rating of the measured spectra. Spectra that passed this test were eventually used to calculate a classification model, through which a successful discrimination of the two viral species based on TERS spectra of single virus particles was also realised with a classification accuracy of 91%. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr07033j
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A multi-parametric particle-pairing algorithm for particle tracking in single and multiphase flows
NASA Astrophysics Data System (ADS)
Cardwell, Nicholas D.; Vlachos, Pavlos P.; Thole, Karen A.
2011-10-01
Multiphase flows (MPFs) offer a rich area of fundamental study with many practical applications. Examples of such flows range from the ingestion of foreign particulates in gas turbines to transport of particles within the human body. Experimental investigation of MPFs, however, is challenging, and requires techniques that simultaneously resolve both the carrier and discrete phases present in the flowfield. This paper presents a new multi-parametric particle-pairing algorithm for particle tracking velocimetry (MP3-PTV) in MPFs. MP3-PTV improves upon previous particle tracking algorithms by employing a novel variable pair-matching algorithm which utilizes displacement preconditioning in combination with estimated particle size and intensity to more effectively and accurately match particle pairs between successive images. To improve the method's efficiency, a new particle identification and segmentation routine was also developed. Validation of the new method was initially performed on two artificial data sets: a traditional single-phase flow published by the Visualization Society of Japan (VSJ) and an in-house generated MPF data set having a bi-modal distribution of particles diameters. Metrics of the measurement yield, reliability and overall tracking efficiency were used for method comparison. On the VSJ data set, the newly presented segmentation routine delivered a twofold improvement in identifying particles when compared to other published methods. For the simulated MPF data set, measurement efficiency of the carrier phases improved from 9% to 41% for MP3-PTV as compared to a traditional hybrid PTV. When employed on experimental data of a gas-solid flow, the MP3-PTV effectively identified the two particle populations and reported a vector efficiency and velocity measurement error comparable to measurements for the single-phase flow images. Simultaneous measurement of the dispersed particle and the carrier flowfield velocities allowed for the calculation of instantaneous particle slip velocities, illustrating the algorithm's strength to robustly and accurately resolve polydispersed MPFs.
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Crespo, Alejandro C.; Dominguez, Jose M.; Barreiro, Anxo; Gómez-Gesteira, Moncho; Rogers, Benedict D.
2011-01-01
Smoothed Particle Hydrodynamics (SPH) is a numerical method commonly used in Computational Fluid Dynamics (CFD) to simulate complex free-surface flows. Simulations with this mesh-free particle method far exceed the capacity of a single processor. In this paper, as part of a dual-functioning code for either central processing units (CPUs) or Graphics Processor Units (GPUs), a parallelisation using GPUs is presented. The GPU parallelisation technique uses the Compute Unified Device Architecture (CUDA) of nVidia devices. Simulations with more than one million particles on a single GPU card exhibit speedups of up to two orders of magnitude over using a single-core CPU. It is demonstrated that the code achieves different speedups with different CUDA-enabled GPUs. The numerical behaviour of the SPH code is validated with a standard benchmark test case of dam break flow impacting on an obstacle where good agreement with the experimental results is observed. Both the achieved speed-ups and the quantitative agreement with experiments suggest that CUDA-based GPU programming can be used in SPH methods with efficiency and reliability. PMID:21695185
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Combined acoustic and optical trapping
Thalhammer, G.; Steiger, R.; Meinschad, M.; Hill, M.; Bernet, S.; Ritsch-Marte, M.
2011-01-01
Combining several methods for contact free micro-manipulation of small particles such as cells or micro-organisms provides the advantages of each method in a single setup. Optical tweezers, which employ focused laser beams, offer very precise and selective handling of single particles. On the other hand, acoustic trapping with wavelengths of about 1 mm allows the simultaneous trapping of many, comparatively large particles. With conventional approaches it is difficult to fully employ the strengths of each method due to the different experimental requirements. Here we present the combined optical and acoustic trapping of motile micro-organisms in a microfluidic environment, utilizing optical macro-tweezers, which offer a large field of view and working distance of several millimeters and therefore match the typical range of acoustic trapping. We characterize the acoustic trapping forces with the help of optically trapped particles and present several applications of the combined optical and acoustic trapping, such as manipulation of large (75 μm) particles and active particle sorting. PMID:22025990
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NASA Astrophysics Data System (ADS)
Gong, Zhiyong; Pan, Yong-Le; Videen, Gorden; Wang, Chuji
2017-12-01
We observe the entire temporal evolution process of fluorescence and Raman spectra of single solid particles optically trapped in air. The spectra initially contain strong fluorescence with weak Raman peaks, then the fluorescence was bleached within seconds, and finally only the clean Raman peaks remain. We construct an optical trap using two counter-propagating hollow beams, which is able to stably trap both absorbing and non-absorbing particles in air, for observing such temporal processes. This technique offers a new method to study dynamic changes in the fluorescence and Raman spectra from a single optically trapped particle in air.
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New apparatus of single particle trap system for aerosol visualization
NASA Astrophysics Data System (ADS)
Higashi, Hidenori; Fujioka, Tomomi; Endo, Tetsuo; Kitayama, Chiho; Seto, Takafumi; Otani, Yoshio
2014-08-01
Control of transport and deposition of charged aerosol particles is important in various manufacturing processes. Aerosol visualization is an effective method to directly observe light scattering signal from laser-irradiated single aerosol particle trapped in a visualization cell. New single particle trap system triggered by light scattering pulse signal was developed in this study. The performance of the device was evaluated experimentally. Experimental setup consisted of an aerosol generator, a differential mobility analyzer (DMA), an optical particle counter (OPC) and the single particle trap system. Polystylene latex standard (PSL) particles (0.5, 1.0 and 2.0 μm) were generated and classified according to the charge by the DMA. Singly charged 0.5 and 1.0 μm particles and doubly charged 2.0 μm particles were used as test particles. The single particle trap system was composed of a light scattering signal detector and a visualization cell. When the particle passed through the detector, trigger signal with a given delay time sent to the solenoid valves upstream and downstream of the visualization cell for trapping the particle in the visualization cell. The motion of particle in the visualization cell was monitored by CCD camera and the gravitational settling velocity and the electrostatic migration velocity were measured from the video image. The aerodynamic diameter obtained from the settling velocity was in good agreement with Stokes diameter calculated from the electrostatic migration velocity for individual particles. It was also found that the aerodynamic diameter obtained from the settling velocity was a one-to-one function of the scattered light intensity of individual particles. The applicability of this system will be discussed.
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Method for forming solar cell materials from particulars
Eberspacher, Chris; Pauls, Karen Lea
2001-01-01
Materials in bulk and film forms are prepared from fine particulate precursors such as single-phase, mixed-metal oxides; multi-phase, mixed-metal particles comprising a metal oxide; multinary metal particles; mixtures of such particles with other particles; and particulate materials intercalated with other materials.
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ELEMENTAL COMPOSITION OF FRESHLY NUCLEATED PARTICLES
The main objective of this work is to develop a method for real-time sampling and analysis of individual airborne nanoparticles in the 5 - 20 nm diameter range. The size range covered by this method is much smaller than existing single particle methods for chemical analysis. S...
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Lee, Jungwoo; Teh, Shia-Yen; Lee, Abraham; Kim, Hyung Ham; Lee, Changyang; Shung, K. Kirk
2009-01-01
A single beam acoustic device, with its relatively simple scheme and low intensity, can trap a single lipid droplet in a manner similar to optical tweezers. Forces in the order of hundreds of nanonewtons direct the droplet toward the beam focus, within the range of hundreds of micrometers. This trapping method, therefore, can be a useful tool for particle manipulation in areas where larger particles or forces are involved. PMID:19798424
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Single beam acoustic trapping.
Lee, Jungwoo; Teh, Shia-Yen; Lee, Abraham; Kim, Hyung Ham; Lee, Changyang; Shung, K Kirk
2009-08-17
A single beam acoustic device, with its relatively simple scheme and low intensity, can trap a single lipid droplet in a manner similar to optical tweezers. Forces in the order of hundreds of nanonewtons direct the droplet toward the beam focus, within the range of hundreds of micrometers. This trapping method, therefore, can be a useful tool for particle manipulation in areas where larger particles or forces are involved.
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Fast time-resolved aerosol collector: proof of concept
NASA Astrophysics Data System (ADS)
Yu, X.-Y.; Cowin, J. P.; Iedema, M. J.; Ali, H.
2010-10-01
Atmospheric particles can be collected in the field on substrates for subsequent laboratory analysis via chemically sensitive single particle methods such as scanning electron microscopy with energy dispersive x-ray analysis. With moving substrates time resolution of seconds to minutes can be achieved. In this paper, we demonstrate how to increase the time resolution when collecting particles on a substrate to a few milliseconds to provide real-time information. Our fast time-resolved aerosol collector ("Fast-TRAC") microscopically observes the particle collection on a substrate and records an on-line video. Particle arrivals are resolved to within a single frame (4-17 ms in this setup), and the spatial locations are matched to the subsequent single particle analysis. This approach also provides in-situ information on particle size and number concentration. Applications are expected in airborne studies of cloud microstructure, pollution plumes, and surface long-term monitoring.
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Fast time-resolved aerosol collector: proof of concept
NASA Astrophysics Data System (ADS)
Yu, X.-Y.; Cowin, J. P.; Iedema, M. J.; Ali, H.
2010-06-01
Atmospheric particles can be collected in the field on substrates for subsequent laboratory analysis via chemically sensitive single particle methods such as scanning electron microscopy with energy dispersive x-ray analysis. With moving substrates time resolution of seconds to minutes can be achieved. In this paper, we demonstrate how to increase the time resolution when collecting particles on a substrate to a few milliseconds to provide real-time information. Our fast time-resolved aerosol collector ("Fast-TRAC") microscopically observes the particle collection on a substrate and records an on-line video. Particle arrivals are resolved to within a single frame (4-17 ms in this setup), and the spatial locations are matched to the subsequent single particle analysis. This approach also provides in-situ information on particle size and number concentration. Applications are expected in airborne studies of cloud microstructure, pollution plumes, and surface long-term monitoring.
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Single event mass spectrometry
Conzemius, Robert J.
1990-01-16
A means and method for single event time of flight mass spectrometry for analysis of specimen materials. The method of the invention includes pulsing an ion source imposing at least one pulsed ion onto the specimen to produce a corresponding emission of at least one electrically charged particle. The emitted particle is then dissociated into a charged ion component and an uncharged neutral component. The ion and neutral components are then detected. The time of flight of the components are recorded and can be used to analyze the predecessor of the components, and therefore the specimen material. When more than one ion particle is emitted from the specimen per single ion impact, the single event time of flight mass spectrometer described here furnis This invention was made with Government support under Contract No. W-7405-ENG82 awarded by the Department of Energy. The Government has certain rights in the invention.
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Pan, Yong-Le; Hill, Steven C; Coleman, Mark
2012-02-27
A new method is demonstrated for optically trapping micron-sized absorbing particles in air and obtaining their single-particle Raman spectra. A 488-nm Gaussian beam from an Argon ion laser is transformed by conical lenses (axicons) and other optics into two counter-propagating hollow beams, which are then focused tightly to form hollow conical beams near the trapping region. The combination of the two coaxial conical beams, with focal points shifted relative to each other along the axis of the beams, generates a low-light-intensity biconical region totally enclosed by the high-intensity light at the surface of the bicone, which is a type of bottle beam. Particles within this region are trapped by the photophoretic forces that push particles toward the low-intensity center of this region. Raman spectra from individual trapped particles made from carbon nanotubes are measured. This trapping technique could lead to the development of an on-line real-time single-particle Raman spectrometer for characterization of absorbing aerosol particles.
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Morphologically and size uniform monodisperse particles and their shape-directed self-assembly
DOE Office of Scientific and Technical Information (OSTI.GOV)
Collins, Joshua E.; Bell, Howard Y.; Ye, Xingchen
2017-09-12
Monodisperse particles having: a single pure crystalline phase of a rare earth-containing lattice, a uniform three-dimensional size, and a uniform polyhedral morphology are disclosed. Due to their uniform size and shape, the monodisperse particles self assemble into superlattices. The particles may be luminescent particles such as down-converting phosphor particles and up-converting phosphors. The monodisperse particles of the invention have a rare earth-containing lattice which in one embodiment may be an yttrium-containing lattice or in another may be a lanthanide-containing lattice. The monodisperse particles may have different optical properties based on their composition, their size, and/or their morphology (or shape). Alsomore » disclosed is a combination of at least two types of monodisperse particles, where each type is a plurality of monodisperse particles having a single pure crystalline phase of a rare earth-containing lattice, a uniform three-dimensional size, and a uniform polyhedral morphology; and where the types of monodisperse particles differ from one another by composition, by size, or by morphology. In a preferred embodiment, the types of monodisperse particles have the same composition but different morphologies. Methods of making and methods of using the monodisperse particles are disclosed.« less
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Morphologically and size uniform monodisperse particles and their shape-directed self-assembly
Collins, Joshua E.; Bell, Howard Y.; Ye, Xingchen; Murray, Christopher Bruce
2015-11-17
Monodisperse particles having: a single pure crystalline phase of a rare earth-containing lattice, a uniform three-dimensional size, and a uniform polyhedral morphology are disclosed. Due to their uniform size and shape, the monodisperse particles self assemble into superlattices. The particles may be luminescent particles such as down-converting phosphor particles and up-converting phosphors. The monodisperse particles of the invention have a rare earth-containing lattice which in one embodiment may be an yttrium-containing lattice or in another may be a lanthanide-containing lattice. The monodisperse particles may have different optical properties based on their composition, their size, and/or their morphology (or shape). Also disclosed is a combination of at least two types of monodisperse particles, where each type is a plurality of monodisperse particles having a single pure crystalline phase of a rare earth-containing lattice, a uniform three-dimensional size, and a uniform polyhedral morphology; and where the types of monodisperse particles differ from one another by composition, by size, or by morphology. In a preferred embodiment, the types of monodisperse particles have the same composition but different morphologies. Methods of making and methods of using the monodisperse particles are disclosed.
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Hall, R. J.; Nogales, E.; Glaeser, R. M.
2011-01-01
The use of a Zernike-type phase plate in biological cryo-electron microscopy allows the imaging, without using defocus, of what are predominantly phase objects. It is thought that such phase-plate implementations might result in higher quality images, free from the problems of CTF correction that occur when images must be recorded at extremely high values of defocus. In single-particle cryo-electron microscopy it is hoped that these improvements in image quality will facilitate work on structures that have proved difficult to study, either because of their relatively small size or because the structures are not completely homogeneous. There is still a need, however, to quantify how much improvement can be gained by using a phase plate for single-particle cryo-electron microscopy. We present a method for quantitatively modelling the images recorded with 200 keV electrons, for single particles embedded in vitreous ice. We then investigate what difference the use of a phase-plate device could have on the processing of single-particle data. We confirm that using a phase plate results in single-particle datasets in which smaller molecules can be detected, particles can be more accurately aligned and problems of heterogeneity can be more easily addressed. PMID:21463690
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NASA Astrophysics Data System (ADS)
Widjaja, Joewono; Dawprateep, Saowaros; Chuamchaitrakool, Porntip
2017-07-01
Extractions of particle positions from inline holograms using a single coefficient of Wigner-Ville distribution (WVD) are experimentally verified. WVD analysis of holograms gives local variation of fringe frequency. Regardless of an axial position of particles, one of the WVD coefficients has the unique characteristics of having the lowest amplitude and being located on a line with a slope inversely proportional to the particle position. Experimental results obtained using two image sensors with different resolutions verify the feasibility of the present method.
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Cryo-EM image alignment based on nonuniform fast Fourier transform.
Yang, Zhengfan; Penczek, Pawel A
2008-08-01
In single particle analysis, two-dimensional (2-D) alignment is a fundamental step intended to put into register various particle projections of biological macromolecules collected at the electron microscope. The efficiency and quality of three-dimensional (3-D) structure reconstruction largely depends on the computational speed and alignment accuracy of this crucial step. In order to improve the performance of alignment, we introduce a new method that takes advantage of the highly accurate interpolation scheme based on the gridding method, a version of the nonuniform fast Fourier transform, and utilizes a multi-dimensional optimization algorithm for the refinement of the orientation parameters. Using simulated data, we demonstrate that by using less than half of the sample points and taking twice the runtime, our new 2-D alignment method achieves dramatically better alignment accuracy than that based on quadratic interpolation. We also apply our method to image to volume registration, the key step in the single particle EM structure refinement protocol. We find that in this case the accuracy of the method not only surpasses the accuracy of the commonly used real-space implementation, but results are achieved in much shorter time, making gridding-based alignment a perfect candidate for efficient structure determination in single particle analysis.
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Cryo-EM Image Alignment Based on Nonuniform Fast Fourier Transform
Yang, Zhengfan; Penczek, Pawel A.
2008-01-01
In single particle analysis, two-dimensional (2-D) alignment is a fundamental step intended to put into register various particle projections of biological macromolecules collected at the electron microscope. The efficiency and quality of three-dimensional (3-D) structure reconstruction largely depends on the computational speed and alignment accuracy of this crucial step. In order to improve the performance of alignment, we introduce a new method that takes advantage of the highly accurate interpolation scheme based on the gridding method, a version of the nonuniform Fast Fourier Transform, and utilizes a multi-dimensional optimization algorithm for the refinement of the orientation parameters. Using simulated data, we demonstrate that by using less than half of the sample points and taking twice the runtime, our new 2-D alignment method achieves dramatically better alignment accuracy than that based on quadratic interpolation. We also apply our method to image to volume registration, the key step in the single particle EM structure refinement protocol. We find that in this case the accuracy of the method not only surpasses the accuracy of the commonly used real-space implementation, but results are achieved in much shorter time, making gridding-based alignment a perfect candidate for efficient structure determination in single particle analysis. PMID:18499351
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NASA Astrophysics Data System (ADS)
Gelhausen, Elmar; Hinz, Klaus-Peter; Schmidt, Andres; Spengler, Bernhard
2011-10-01
A single particle mass spectrometer LAMPAS 2 (Laser Mass Analyzer for Particles in the Airborne State) was combined with an ultrasonic anemometer to provide a measurement system for monitoring environmental substance exchange as caused by emission/deposition of aerosol particles. For this study, 681 mass spectra of detected particles were sorted into groups of similarity by a clustering algorithm leading to five classes of different particle types. Each single mass spectrum was correlated to corresponding anemometer data (vertical wind vector and wind speed) in a time-resolved analysis. Due to sampling constraints time-resolution was limited to 36 s, as a result of transition time distributions through the sampling tube. Vertical particle flow (emission/deposition) was determined for all particles based on these data as acquired during a measuring campaign in Giessen, Germany. For a selected particle class a detailed up- and downwards flow consideration was performed to prove the developed approach. Particle flow of that class was dominated by an emission trend as expected. The presented combination of single-particle mass spectrometry and ultrasonic anemometry provides for the possibility to correlate chemical particle data and wind data in a distinct assignment for the description of turbulent particle behavior near earth surface. Results demonstrate the ability to apply the method to real micrometeorological systems, if sampling issues are properly considered for an intended time resolution.
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Faint Debris Detection by Particle Based Track-Before-Detect Method
NASA Astrophysics Data System (ADS)
Uetsuhara, M.; Ikoma, N.
2014-09-01
This study proposes a particle method to detect faint debris, which is hardly seen in single frame, from an image sequence based on the concept of track-before-detect (TBD). The most widely used detection method is detect-before-track (DBT), which firstly detects signals of targets from single frame by distinguishing difference of intensity between foreground and background then associate the signals for each target between frames. DBT is capable of tracking bright targets but limited. DBT is necessary to consider presence of false signals and is difficult to recover from false association. On the other hand, TBD methods try to track targets without explicitly detecting the signals followed by evaluation of goodness of each track and obtaining detection results. TBD has an advantage over DBT in detecting weak signals around background level in single frame. However, conventional TBD methods for debris detection apply brute-force search over candidate tracks then manually select true one from the candidates. To reduce those significant drawbacks of brute-force search and not-fully automated process, this study proposes a faint debris detection algorithm by a particle based TBD method consisting of sequential update of target state and heuristic search of initial state. The state consists of position, velocity direction and magnitude, and size of debris over the image at a single frame. The sequential update process is implemented by a particle filter (PF). PF is an optimal filtering technique that requires initial distribution of target state as a prior knowledge. An evolutional algorithm (EA) is utilized to search the initial distribution. The EA iteratively applies propagation and likelihood evaluation of particles for the same image sequences and resulting set of particles is used as an initial distribution of PF. This paper describes the algorithm of the proposed faint debris detection method. The algorithm demonstrates performance on image sequences acquired during observation campaigns dedicated to GEO breakup fragments, which would contain a sufficient number of faint debris images. The results indicate the proposed method is capable of tracking faint debris with moderate computational costs at operational level.
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Sandia Simple Particle Tracking (Sandia SPT) v. 1.0
DOE Office of Scientific and Technical Information (OSTI.GOV)
Anthony, Stephen M.
2015-06-15
Sandia SPT is designed as software to accompany a book chapter being published a methods chapter which provides an introduction on how to label and track individual proteins. The Sandia Simple Particle Tracking code uses techniques common to the image processing community, where its value is that it facilitates implementing the methods described in the book chapter by providing the necessary open-source code. The code performs single particle spot detection (or segmentation and localization) followed by tracking (or connecting the detected particles into trajectories). The book chapter, which along with the headers in each file, constitutes the documentation for themore » code is: Anthony, S.M.; Carroll-Portillo, A.; Timlon, J.A., Dynamics and Interactions of Individual Proteins in the Membrane of Living Cells. In Anup K. Singh (Ed.) Single Cell Protein Analysis Methods in Molecular Biology. Springer« less
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Single-camera three-dimensional tracking of natural particulate and zooplankton
NASA Astrophysics Data System (ADS)
Troutman, Valerie A.; Dabiri, John O.
2018-07-01
We develop and characterize an image processing algorithm to adapt single-camera defocusing digital particle image velocimetry (DDPIV) for three-dimensional (3D) particle tracking velocimetry (PTV) of natural particulates, such as those present in the ocean. The conventional DDPIV technique is extended to facilitate tracking of non-uniform, non-spherical particles within a volume depth an order of magnitude larger than current single-camera applications (i.e. 10 cm × 10 cm × 24 cm depth) by a dynamic template matching method. This 2D cross-correlation method does not rely on precise determination of the centroid of the tracked objects. To accommodate the broad range of particle number densities found in natural marine environments, the performance of the measurement technique at higher particle densities has been improved by utilizing the time-history of tracked objects to inform 3D reconstruction. The developed processing algorithms were analyzed using synthetically generated images of flow induced by Hill’s spherical vortex, and the capabilities of the measurement technique were demonstrated empirically through volumetric reconstructions of the 3D trajectories of particles and highly non-spherical, 5 mm zooplankton.
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Preparation of Single-Stranded Bacteriophage M13 DNA by Precipitation with Polyethylene Glycol.
Green, Michael R; Sambrook, Joseph
2017-11-01
Bacteriophage M13 single-stranded DNA is prepared from virus particles secreted by infected bacteria into the surrounding medium. Several methods are available to purify the polymorphic filamentous particles. In this protocol, the particles are concentrated by precipitation with polyethylene glycol (PEG) in the presence of high salt. Subsequent extraction with phenol releases the single-stranded DNA, which is then collected by precipitation with ethanol. The resulting preparation is pure enough to be used as a template for DNA sequencing. A yield of 5-10 µg of single-stranded DNA/mL of infected cells may be expected from recombinant bacteriophages bearing inserts of 300-1000 nt. © 2017 Cold Spring Harbor Laboratory Press.
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A Binary Segmentation Approach for Boxing Ribosome Particles in Cryo EM Micrographs
DOE Office of Scientific and Technical Information (OSTI.GOV)
Adiga, Umesh P.S.; Malladi, Ravi; Baxter, William
Three-dimensional reconstruction of ribosome particles from electron micrographs requires selection of many single-particle images. Roughly 100,000 particles are required to achieve approximately 10 angstrom resolution. Manual selection of particles, by visual observation of the micrographs on a computer screen, is recognized as a bottleneck in automated single particle reconstruction. This paper describes an efficient approach for automated boxing of ribosome particles in micrographs. Use of a fast, anisotropic non-linear reaction-diffusion method to pre-process micrographs and rank-leveling to enhance the contrast between particles and the background, followed by binary and morphological segmentation constitute the core of this technique. Modifying the shapemore » of the particles to facilitate segmentation of individual particles within clusters and boxing the isolated particles is successfully attempted. Tests on a limited number of micrographs have shown that over 80 percent success is achieved in automatic particle picking.« less
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Choël, Marie; Deboudt, Karine; Osán, János; Flament, Pascal; Van Grieken, René
2005-09-01
Atmospheric aerosols consist of a complex heterogeneous mixture of particles. Single-particle analysis techniques are known to provide unique information on the size-resolved chemical composition of aerosols. A scanning electron microscope (SEM) combined with a thin-window energy-dispersive X-ray (EDX) detector enables the morphological and elemental analysis of single particles down to 0.1 microm with a detection limit of 1-10 wt %, low-Z elements included. To obtain data statistically representative of the air masses sampled, a computer-controlled procedure can be implemented in order to run hundreds of single-particle analyses (typically 1000-2000) automatically in a relatively short period of time (generally 4-8 h, depending on the setup and on the particle loading). However, automated particle analysis by SEM-EDX raises two practical challenges: the accuracy of the particle recognition and the reliability of the quantitative analysis, especially for micrometer-sized particles with low atomic number contents. Since low-Z analysis is hampered by the use of traditional polycarbonate membranes, an alternate choice of substrate is a prerequisite. In this work, boron is being studied as a promising material for particle microanalysis. As EDX is generally said to probe a volume of approximately 1 microm3, geometry effects arise from the finite size of microparticles. These particle geometry effects must be corrected by means of a robust concentration calculation procedure. Conventional quantitative methods developed for bulk samples generate elemental concentrations considerably in error when applied to microparticles. A new methodology for particle microanalysis, combining the use of boron as the substrate material and a reverse Monte Carlo quantitative program, was tested on standard particles ranging from 0.25 to 10 microm. We demonstrate that the quantitative determination of low-Z elements in microparticles is achievable and that highly accurate results can be obtained using the automatic data processing described here compared to conventional methods.
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Nanotip analysis for dielectrophoretic concentration of nanosized viral particles.
Yeo, Woon-Hong; Lee, Hyun-Boo; Kim, Jong-Hoon; Lee, Kyong-Hoon; Chung, Jae-Hyun
2013-05-10
Rapid and sensitive detection of low-abundance viral particles is strongly demanded in health care, environmental control, military defense, and homeland security. Current detection methods, however, lack either assay speed or sensitivity, mainly due to the nanosized viral particles. In this paper, we compare a dendritic, multi-terminal nanotip ('dendritic nanotip') with a single terminal nanotip ('single nanotip') for dielectrophoretic (DEP) concentration of viral particles. The numerical computation studies the concentration efficiency of viral particles ranging from 25 to 100 nm in radius for both nanotips. With DEP and Brownian motion considered, when the particle radius decreases by two times, the concentration time for both nanotips increases by 4-5 times. In the computational study, a dendritic nanotip shows about 1.5 times faster concentration than a single nanotip for the viral particles because the dendritic structure increases the DEP-effective area to overcome the Brownian motion. For the qualitative support of the numerical results, the comparison experiment of a dendritic nanotip and a single nanotip is conducted. Under 1 min of concentration time, a dendritic nanotip shows a higher sensitivity than a single nanotip. When the concentration time is 5 min, the sensitivity of a dendritic nanotip for T7 phage is 10(4) particles ml(-1). The dendritic nanotip-based concentrator has the potential for rapid identification of viral particles.
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Nanotip analysis for dielectrophoretic concentration of nanosized viral particles
NASA Astrophysics Data System (ADS)
Yeo, Woon-Hong; Lee, Hyun-Boo; Kim, Jong-Hoon; Lee, Kyong-Hoon; Chung, Jae-Hyun
2013-05-01
Rapid and sensitive detection of low-abundance viral particles is strongly demanded in health care, environmental control, military defense, and homeland security. Current detection methods, however, lack either assay speed or sensitivity, mainly due to the nanosized viral particles. In this paper, we compare a dendritic, multi-terminal nanotip (‘dendritic nanotip’) with a single terminal nanotip (‘single nanotip’) for dielectrophoretic (DEP) concentration of viral particles. The numerical computation studies the concentration efficiency of viral particles ranging from 25 to 100 nm in radius for both nanotips. With DEP and Brownian motion considered, when the particle radius decreases by two times, the concentration time for both nanotips increases by 4-5 times. In the computational study, a dendritic nanotip shows about 1.5 times faster concentration than a single nanotip for the viral particles because the dendritic structure increases the DEP-effective area to overcome the Brownian motion. For the qualitative support of the numerical results, the comparison experiment of a dendritic nanotip and a single nanotip is conducted. Under 1 min of concentration time, a dendritic nanotip shows a higher sensitivity than a single nanotip. When the concentration time is 5 min, the sensitivity of a dendritic nanotip for T7 phage is 104 particles ml-1. The dendritic nanotip-based concentrator has the potential for rapid identification of viral particles.
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Ultralow power trapping and fluorescence detection of single particles on an optofluidic chip.
Kühn, S; Phillips, B S; Lunt, E J; Hawkins, A R; Schmidt, H
2010-01-21
The development of on-chip methods to manipulate particles is receiving rapidly increasing attention. All-optical traps offer numerous advantages, but are plagued by large required power levels on the order of hundreds of milliwatts and the inability to act exclusively on individual particles. Here, we demonstrate a fully integrated electro-optical trap for single particles with optical excitation power levels that are five orders of magnitude lower than in conventional optical force traps. The trap is based on spatio-temporal light modulation that is implemented using networks of antiresonant reflecting optical waveguides. We demonstrate the combination of on-chip trapping and fluorescence detection of single microorganisms by studying the photobleaching dynamics of stained DNA in E. coli bacteria. The favorable size scaling facilitates the trapping of single nanoparticles on integrated optofluidic chips.
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Tailoring particle translocation via dielectrophoresis in pore channels
Tanaka, Shoji; Tsutsui, Makusu; Theodore, Hu; Yuhui, He; Arima, Akihide; Tsuji, Tetsuro; Doi, Kentaro; Kawano, Satoyuki; Taniguchi, Masateru; Kawai, Tomoji
2016-01-01
Understanding and controlling electrophoretic motions of nanoscopic objects in fluidic channels are a central challenge in developing nanopore technology for molecular analyses. Although progress has been made in slowing the translocation velocity to meet the requirement for electrical detections of analytes via picoampere current measurements, there exists no method useful for regulating particle flows in the transverse directions. Here, we report the use of dielectrophoresis to manipulate the single-particle passage through a solid-state pore. We created a trap field by applying AC voltage between electrodes embedded in a low-aspect-ratio micropore. We demonstrated a traffic control of particles to go through center or near side surface via the voltage frequency. We also found enhanced capture efficiency along with faster escaping speed of particles by virtue of the AC-mediated electroosmosis. This method is compatible with nanopore sensing and would be widely applied for reducing off-axis effects to achieve single-molecule identification. PMID:27527126
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Das, Raibatak; Cairo, Christopher W.; Coombs, Daniel
2009-01-01
The extraction of hidden information from complex trajectories is a continuing problem in single-particle and single-molecule experiments. Particle trajectories are the result of multiple phenomena, and new methods for revealing changes in molecular processes are needed. We have developed a practical technique that is capable of identifying multiple states of diffusion within experimental trajectories. We model single particle tracks for a membrane-associated protein interacting with a homogeneously distributed binding partner and show that, with certain simplifying assumptions, particle trajectories can be regarded as the outcome of a two-state hidden Markov model. Using simulated trajectories, we demonstrate that this model can be used to identify the key biophysical parameters for such a system, namely the diffusion coefficients of the underlying states, and the rates of transition between them. We use a stochastic optimization scheme to compute maximum likelihood estimates of these parameters. We have applied this analysis to single-particle trajectories of the integrin receptor lymphocyte function-associated antigen-1 (LFA-1) on live T cells. Our analysis reveals that the diffusion of LFA-1 is indeed approximately two-state, and is characterized by large changes in cytoskeletal interactions upon cellular activation. PMID:19893741
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Zawadowicz, Maria A.; Froyd, Karl D.; Murphy, Daniel M.; ...
2017-06-16
Measurements of primary biological aerosol particles (PBAP), especially at altitudes relevant to cloud formation, are scarce. Single-particle mass spectrometry (SPMS) has been used to probe aerosol chemical composition from ground and aircraft for over 20 years. Here we develop a method for identifying bioaerosols (PBAP and particles containing fragments of PBAP as part of an internal mixture) using SPMS. Here, we show that identification of bioaerosol using SPMS is complicated because phosphorus-bearing mineral dust and phosphorus-rich combustion by-products such as fly ash produce mass spectra with peaks similar to those typically used as markers for bioaerosol. We have developed a methodologymore » to differentiate and identify bioaerosol using machine learning statistical techniques applied to mass spectra of known particle types. This improved method provides far fewer false positives compared to approaches reported in the literature. The new method was then applied to two sets of ambient data collected at Storm Peak Laboratory and a forested site in Central Valley, California to show that 0.04–2 % of particles in the 200–3000 nm aerodynamic diameter range were identified as bioaerosol. In addition, 36–56 % of particles identified as biological also contained spectral features consistent with mineral dust, suggesting internal dust–biological mixtures.« less
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Zawadowicz, Maria A.; Froyd, Karl D.; Murphy, Daniel M.
Measurements of primary biological aerosol particles (PBAP), especially at altitudes relevant to cloud formation, are scarce. Single-particle mass spectrometry (SPMS) has been used to probe aerosol chemical composition from ground and aircraft for over 20 years. Here we develop a method for identifying bioaerosols (PBAP and particles containing fragments of PBAP as part of an internal mixture) using SPMS. Here, we show that identification of bioaerosol using SPMS is complicated because phosphorus-bearing mineral dust and phosphorus-rich combustion by-products such as fly ash produce mass spectra with peaks similar to those typically used as markers for bioaerosol. We have developed a methodologymore » to differentiate and identify bioaerosol using machine learning statistical techniques applied to mass spectra of known particle types. This improved method provides far fewer false positives compared to approaches reported in the literature. The new method was then applied to two sets of ambient data collected at Storm Peak Laboratory and a forested site in Central Valley, California to show that 0.04–2 % of particles in the 200–3000 nm aerodynamic diameter range were identified as bioaerosol. In addition, 36–56 % of particles identified as biological also contained spectral features consistent with mineral dust, suggesting internal dust–biological mixtures.« less
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NASA Astrophysics Data System (ADS)
Zawadowicz, Maria A.; Froyd, Karl D.; Murphy, Daniel M.; Cziczo, Daniel J.
2017-06-01
Measurements of primary biological aerosol particles (PBAP), especially at altitudes relevant to cloud formation, are scarce. Single-particle mass spectrometry (SPMS) has been used to probe aerosol chemical composition from ground and aircraft for over 20 years. Here we develop a method for identifying bioaerosols (PBAP and particles containing fragments of PBAP as part of an internal mixture) using SPMS. We show that identification of bioaerosol using SPMS is complicated because phosphorus-bearing mineral dust and phosphorus-rich combustion by-products such as fly ash produce mass spectra with peaks similar to those typically used as markers for bioaerosol. We have developed a methodology to differentiate and identify bioaerosol using machine learning statistical techniques applied to mass spectra of known particle types. This improved method provides far fewer false positives compared to approaches reported in the literature. The new method was then applied to two sets of ambient data collected at Storm Peak Laboratory and a forested site in Central Valley, California to show that 0.04-2 % of particles in the 200-3000 nm aerodynamic diameter range were identified as bioaerosol. In addition, 36-56 % of particles identified as biological also contained spectral features consistent with mineral dust, suggesting internal dust-biological mixtures.
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Single fiber model of particle retention in an acoustically driven porous mesh.
Grossner, Michael T; Penrod, Alan E; Belovich, Joanne M; Feke, Donald L
2003-03-01
A method for the capture of small particles (tens of microns in diameter) from a continuously flowing suspension has recently been reported. This technique relies on a standing acoustic wave resonating in a rectangular chamber filled with a high-porosity mesh. Particles are retained in this chamber via a complex interaction between the acoustic field and the porous mesh. Although the mesh has a pore size two orders of magnitude larger than the particle diameter, collection efficiencies of 90% have been measured. A mathematical model has been developed to understand the experimentally observed phenomena and to be able to predict filtration performance. By examining a small region (a single fiber) of the porous mesh, the model has duplicated several experimental events such as the focusing of particles near an element of the mesh and the levitation of particles within pores. The single-fiber analysis forms the basis of modeling the overall performance of the particle filtration system. Copyright 2002 Elsevier Science B.V.
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Extinction cross section measurements for a single optically trapped particle
NASA Astrophysics Data System (ADS)
Cotterell, Michael I.; Preston, Thomas C.; Mason, Bernard J.; Orr-Ewing, Andrew J.; Reid, Jonathan P.
2015-08-01
Bessel beam (BB) optical traps have become widely used to confine single and multiple aerosol particles across a broad range of sizes, from a few microns to < 200 nm in radius. The radiation pressure force exerted by the core of a single, zeroth-order BB incident on a particle can be balanced by a counter-propagating gas flow, allowing a single particle to be trapped indefinitely. The pseudo non-diffracting nature of BBs enables particles to be confined over macroscopic distances along the BB core propagation length; the position of the particle along this length can be finely controlled by variation of the BB laser power. This latter property is exploited to optimize the particle position at the center of the TEM00 mode of a high finesse optical cavity, allowing cavity ring-down spectroscopy (CRDS) to be performed on single aerosol particles and their optical extinction cross section, σext, measured. Further, the variation in the light from the illuminating BB elastically scattered by the particle is recorded as a function of scattering angle. Such intensity distributions are fitted to Lorenz-Mie theory to determine the particle radius. The trends in σext with particle radius are modelled using cavity standing wave Mie simulations and a particle's varying refractive index with changing relative humidity is determined. We demonstrate σext measurements on individual sub-micrometer aerosol particles and determine the lowest limit in particle size that can be probed by this technique. The BB-CRDS method will play a key role in reducing the uncertainty associated with atmospheric aerosol radiative forcing, which remains among the largest uncertainties in climate modelling.
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Single particle train ordering in microchannel based on inertial and vortex effects
NASA Astrophysics Data System (ADS)
Fan, Liang-Liang; Yan, Qing; Zhe, Jiang; Zhao, Liang
2018-06-01
A new microfluidic device for microparticle focusing and ordering in a single particle train is reported. The particle focusing and ordering are based on inertial and vortex effects in a microchannel with a series of suddenly contracted and widely expanded structures on one side. In the suddenly contracted regions, particles located near the contracted structures are subjected to a strong wall-effect lift force and momentum-change-induced inertial force due to the highly curved trajectory, migrating to the straight wall. A horizontal vortex is generated downstream of the contracted structure, which prevents the particle from getting close to the wall. In the widely expanded regions, the streamline is curved and no vortex is generated. The shear-gradient lift force and the momentum-change-induced inertial force are dominant for particle lateral migration, driving particles towards the wall of the expanded structures. Eventually, particles are focused and ordered in a single particle train by the combination effects of the inertial forces and the vortex. In comparison with other single-stream particle focusing methods, this device requires no sheath flow, is easy for fabrication and operation, and can work over a wide range of Reynolds numbers from 19.1–142.9. The highly ordered particle chain could be potentially utilized in a variety of lab-chip applications, including micro-flow cytometer, imaging and droplet-based cell entrapment.
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Heider, Susanne; Muzard, Julien; Zaruba, Marianne; Metzner, Christoph
2017-07-01
Elements derived from lentiviral particles such as viral vectors or virus-like particles are commonly used for biotechnological and biomedical applications, for example in mammalian protein expression, gene delivery or therapy, and vaccine development. Preparations of high purity are necessary in most cases, especially for clinical applications. For purification, a wide range of methods are available, from density gradient centrifugation to affinity chromatography. In this study we have employed size exclusion columns specifically designed for the easy purification of extracellular vesicles including exosomes. In addition to viral marker protein and total protein analysis, a well-established single-particle characterization technology, termed tunable resistive pulse sensing, was employed to analyze fractions of highest particle load and purity and characterize the preparations by size and surface charge/electrophoretic mobility. With this study, we propose an integrated platform combining size exclusion chromatography and tunable resistive pulse sensing for monitoring production and purification of viral particles.
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NASA Astrophysics Data System (ADS)
van Reenen, Alexander; Gao, Yang; Bos, Arjen H.; de Jong, Arthur M.; Hulsen, Martien A.; den Toonder, Jaap M. J.; Prins, Menno W. J.
2013-07-01
The application of magnetic particles in biomedical research and in-vitro diagnostics requires accurate characterization of their magnetic properties, with single-particle resolution and good statistics. Here, we report intra-pair magnetophoresis as a method to accurately quantify the field-dependent magnetic moments of magnetic particles and to rapidly generate histograms of the magnetic moments with good statistics. We demonstrate our method with particles of different sizes and from different sources, with a measurement precision of a few percent. We expect that intra-pair magnetophoresis will be a powerful tool for the characterization and improvement of particles for the upcoming field of particle-based nanobiotechnology.
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Attrition of fluid cracking catalyst in fluidized beds
DOE Office of Scientific and Technical Information (OSTI.GOV)
Boerefijn, R.; Ghadiri, M.
1996-12-31
Particle attrition in fluid catalytic cracking units causes loss of catalyst, which could amount to a few tonnes per day! The dependence of attrition on the process conditions and catalyst properties is therefore of great industrial interest, but it is however not well established at present. The process of attrition in the jetting area of fluidised beds is addressed and the attrition test method of Forsythe & Hertwig is analysed in this paper. This method is used commonly to assess the attrition propensity of FCC powder, whereby the attrition rate in a single jet at very high orifice velocity (300more » m s{sup -1}) is measured. There has been some concern on the relevance of this method to attrition in FCC units. Therefore, a previously-developed model of attrition in the jetting region is employed in an attempt to establish a solid basis of interpretation of the Forsythe & Hertwig test and its application as an industrial standard test. The model consists of two parts. The first part predicts the solids flow patterns in the jet region, simulating numerically the Forsythe & Hertwig test. The second part models the breakage of single particles upon impact. Combining these two models, thus linking single particle mechanical properties to macroscopic flow phenomena, results in the modelling of the attrition rate of particles entrained into a single high speed jet. High speed video recordings are made of a single jet in a two-dimensional fluidised bed, at up to 40500 frames per second, in order to quantify some of the model parameters. Digital analysis of the video images yields values for particle velocities and entrainment rates in the jet, which can be compared to model predictions. 15 refs., 8 figs.« less
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Liu, Fangchao; Dong, Chaoqing; Ren, Jicun
2018-03-15
Colloidal gold nanospheres (GNSs) have become important nanomaterials in biomedical applications due to their special optical properties, good chemical stability, and biocompatibility. However, measuring the diffusion coefficients or concentration distribution of GNSs within live cells accurately without any extra fluorescent labeling in situ has still not been resolved. In this work, a single particle method is developed to study the concentration distribution of folic acid-modified GNSs (FA-GNSs) internalized via folate receptors, and investigates their diffusion dynamics within live cells using single particle fluorescence correlation spectroscopy (FCS). We optimized the experimental conditions and verified the feasibility of 30 nm GNSs without extra fluorescence labeling being used for single particle detection inside live cells. Then, the FCS characterization strategy was used to measure the concentration and diffusion coefficient distributions of GNSs inside live cells and the obtained results were basically in agreement with those obtained by TEM. The results demonstrate that our strategy is characterized as an in situ, nondestructive, rapid and dynamic method for the assay of live cells, and it may be widely used in the further design of GNP-based drug delivery and therapeutics.
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NASA Astrophysics Data System (ADS)
Letu, Husi; Ishimoto, Hiroshi; Riedi, Jerome; Nakajima, Takashi Y.; -Labonnote, Laurent C.; Baran, Anthony J.; Nagao, Takashi M.; Sekiguchi, Miho
2016-09-01
In this study, various ice particle habits are investigated in conjunction with inferring the optical properties of ice clouds for use in the Global Change Observation Mission-Climate (GCOM-C) satellite programme. We develop a database of the single-scattering properties of five ice habit models: plates, columns, droxtals, bullet rosettes, and Voronoi. The database is based on the specification of the Second Generation Global Imager (SGLI) sensor on board the GCOM-C satellite, which is scheduled to be launched in 2017 by the Japan Aerospace Exploration Agency. A combination of the finite-difference time-domain method, the geometric optics integral equation technique, and the geometric optics method is applied to compute the single-scattering properties of the selected ice particle habits at 36 wavelengths, from the visible to the infrared spectral regions. This covers the SGLI channels for the size parameter, which is defined as a single-particle radius of an equivalent volume sphere, ranging between 6 and 9000 µm. The database includes the extinction efficiency, absorption efficiency, average geometrical cross section, single-scattering albedo, asymmetry factor, size parameter of a volume-equivalent sphere, maximum distance from the centre of mass, particle volume, and six nonzero elements of the scattering phase matrix. The characteristics of calculated extinction efficiency, single-scattering albedo, and asymmetry factor of the five ice particle habits are compared. Furthermore, size-integrated bulk scattering properties for the five ice particle habit models are calculated from the single-scattering database and microphysical data. Using the five ice particle habit models, the optical thickness and spherical albedo of ice clouds are retrieved from the Polarization and Directionality of the Earth's Reflectances-3 (POLDER-3) measurements, recorded on board the Polarization and Anisotropy of Reflectances for Atmospheric Sciences coupled with Observations from a Lidar (PARASOL) satellite. The optimal ice particle habit for retrieving the SGLI ice cloud properties is investigated by adopting the spherical albedo difference (SAD) method. It is found that the SAD is distributed stably due to the scattering angle increases for bullet rosettes with an effective diameter (Deff) of 10 µm and Voronoi particles with Deff values of 10, 60, and 100 µm. It is confirmed that the SAD of small bullet-rosette particles and all sizes of Voronoi particles has a low angular dependence, indicating that a combination of the bullet-rosette and Voronoi models is sufficient for retrieval of the ice cloud's spherical albedo and optical thickness as effective habit models for the SGLI sensor. Finally, SAD analysis based on the Voronoi habit model with moderate particle size (Deff = 60 µm) is compared with the conventional general habit mixture model, inhomogeneous hexagonal monocrystal model, five-plate aggregate model, and ensemble ice particle model. The Voronoi habit model is found to have an effect similar to that found in some conventional models for the retrieval of ice cloud properties from space-borne radiometric observations.
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von Diezmann, Alex; Shechtman, Yoav; Moerner, W. E.
2017-01-01
Single-molecule super-resolution fluorescence microscopy and single-particle tracking are two imaging modalities that illuminate the properties of cells and materials on spatial scales down to tens of nanometers, or with dynamical information about nanoscale particle motion in the millisecond range, respectively. These methods generally use wide-field microscopes and two-dimensional camera detectors to localize molecules to much higher precision than the diffraction limit. Given the limited total photons available from each single-molecule label, both modalities require careful mathematical analysis and image processing. Much more information can be obtained about the system under study by extending to three-dimensional (3D) single-molecule localization: without this capability, visualization of structures or motions extending in the axial direction can easily be missed or confused, compromising scientific understanding. A variety of methods for obtaining both 3D super-resolution images and 3D tracking information have been devised, each with their own strengths and weaknesses. These include imaging of multiple focal planes, point-spread-function engineering, and interferometric detection. These methods may be compared based on their ability to provide accurate and precise position information of single-molecule emitters with limited photons. To successfully apply and further develop these methods, it is essential to consider many practical concerns, including the effects of optical aberrations, field-dependence in the imaging system, fluorophore labeling density, and registration between different color channels. Selected examples of 3D super-resolution imaging and tracking are described for illustration from a variety of biological contexts and with a variety of methods, demonstrating the power of 3D localization for understanding complex systems. PMID:28151646
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NASA Astrophysics Data System (ADS)
Zhan, Kangshu
Monitoring chiral optical signals of biomolecules as their conformation changes is an important means to study their structures, properties, and functions. Most measurements, however, are ensemble measurements because chiral optical signals from a single biomolecule is often too weak to be detected. In this dissertation, I present my early attempts to study conformational changes of adsorbed proteins by taking advantage of the enhanced electromagnetic (EM) field around a well-designed plasmonic nanofeature. In particular, I discuss the detection of protein adsorption and denaturation on metallic nanoparticles using single particle scattering and CD spectroscopic imaging. Particles of two distinctively different sizes were compared and two different sample protein molecules were studied. A combination of experimental and computational tools was used to simulate and interpret the collected scattering and CD results. The first chapter provides a brief overview of the state-of-art research in CD spectroscopic studies at the single particle level. Three different means to make particles capable of chiral detection are discussed. Various applications beyond single particle imaging are presented to showcase the potential of the described research project, beyond our immediate goals. The second chapter describes my initial characterization of large, metallic, anisotropic nanorods and the establishment of experimental procedures used later for spectrum reconstruction, data visualization and analysis. The physical shape and structure of the particles were imaged by scanning electron microscopy (SEM), the chemical composition by energy dispersive X-ray Spectroscopy (EDS), and the optical properties by darkfield microscopy. An experimental protocol was developed to connect information collected from separate techniques for the same particle, with the aims of discovering any possible structural-property correlation. The reproducibility of the single particle imaging method was evaluated. Full spectrum reconstruction using a set of selected optical filters was carried out and data visualization using a Matlab based 3D mapping method was demonstrated. The third chapter describes the introduction of biomolecules in chiral particle studies. By measuring the circular dichroism spectrum and image of nanorods during lysozyme adsorption and denaturation, I was able to monitor the conformation change of proteins on large gapped nanorods. Experiment results suggested that the conformational change of absorbed protein could lead to the change of chiral signal of nanoparticles, suggesting the potentials of detecting biomolecular structural changes at the single nanoparticle level, though much uncertainty still present. The inherent high background of large, gapped nanoparticles when they interact with biomolecules led to the research described in the 4th chapter where I studied small palladium-silver coreshell nanoparticle properties and its interaction with proteins. SEM was used to characterize particles structures; UV-Vis and darkfield microscopy was used to capture particles' optical responses; and the finite-difference time-domain (FDTD) method was used to simulate resulting spectra and to compare with experimental outcomes. Lysozyme and bovine serum albumin (BSA) were used as the model molecules to study their conformational changes after being adsorbed onto particles. Last but the least, the 5th chapter is dedicated to FDTD simulation of a pair of perfectly shaped triangle nanoprisms to illustrate possible CD responses to be expected from extreme particles with sharp corners and much concentrated local EM field. Different coupling modes of triangle nanoprism were analyzed. It is found that many factors, such as particle orientation, spacing, and their relative position, could lead to significantly different coupling efficient, for both homodimers and heterodimers. The modeling data suggested interesting potentials of nanoparticles of extreme geometric features for high sensitivity surface plasmon-enhanced CD imaging at the signal particle level.
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Particle displacement tracking applied to air flows
NASA Technical Reports Server (NTRS)
Wernet, Mark P.
1991-01-01
Electronic Particle Image Velocimeter (PIV) techniques offer many advantages over conventional photographic PIV methods such as fast turn around times and simplified data reduction. A new all electronic PIV technique was developed which can measure high speed gas velocities. The Particle Displacement Tracking (PDT) technique employs a single cw laser, small seed particles (1 micron), and a single intensified, gated CCD array frame camera to provide a simple and fast method of obtaining two-dimensional velocity vector maps with unambiguous direction determination. Use of a single CCD camera eliminates registration difficulties encountered when multiple cameras are used to obtain velocity magnitude and direction information. An 80386 PC equipped with a large memory buffer frame-grabber board provides all of the data acquisition and data reduction operations. No array processors of other numerical processing hardware are required. Full video resolution (640x480 pixel) is maintained in the acquired images, providing high resolution video frames of the recorded particle images. The time between data acquisition to display of the velocity vector map is less than 40 sec. The new electronic PDT technique is demonstrated on an air nozzle flow with velocities less than 150 m/s.
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On-Chip Magnetic Platform for Single-Particle Manipulation with Integrated Electrical Feedback.
Monticelli, Marco; Torti, Andrea; Cantoni, Matteo; Petti, Daniela; Albisetti, Edoardo; Manzin, Alessandra; Guerriero, Erica; Sordan, Roman; Gervasoni, Giacomo; Carminati, Marco; Ferrari, Giorgio; Sampietro, Marco; Bertacco, Riccardo
2016-02-17
Methods for the manipulation of single magnetic particles have become very interesting, in particular for in vitro biological studies. Most of these studies require an external microscope to provide the operator with feedback for controlling the particle motion, thus preventing the use of magnetic particles in high-throughput experiments. In this paper, a simple and compact system with integrated electrical feedback is presented, implementing in the very same device both the manipulation and detection of the transit of single particles. The proposed platform is based on zig-zag shaped magnetic nanostructures, where transverse magnetic domain walls are pinned at the corners and attract magnetic particles in suspension. By applying suitable external magnetic fields, the domain walls move to the nearest corner, thus causing the step by step displacement of the particles along the nanostructure. The very same structure is also employed for detecting the bead transit. Indeed, the presence of the magnetic particle in suspension over the domain wall affects the depinning field required for its displacement. This characteristic field can be monitored through anisotropic magnetoresistance measurements, thus implementing an integrated electrical feedback of the bead transit. In particular, the individual manipulation and detection of single 1-μm sized beads is demonstrated. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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Coherent Backscattering by Particulate Planetary Media of Nonspherical Particles
NASA Astrophysics Data System (ADS)
Muinonen, Karri; Penttila, Antti; Wilkman, Olli; Videen, Gorden
2014-11-01
The so-called radiative-transfer coherent-backscattering method (RT-CB) has been put forward as a practical Monte Carlo method to compute multiple scattering in discrete random media mimicking planetary regoliths (K. Muinonen, Waves in Random Media 14, p. 365, 2004). In RT-CB, the interaction between the discrete scatterers takes place in the far-field approximation and the wave propagation faces exponential extinction. There is a significant constraint in the RT-CB method: it has to be assumed that the form of the scattering matrix is that of the spherical particle. We aim to extend the RT-CB method to nonspherical single particles showing significant depolarization characteristics. First, ensemble-averaged single-scattering albedos and phase matrices of nonspherical particles are matched using a phenomenological radiative-transfer model within a microscopic volume element. Second, the phenomenologial single-particle model is incorporated into the Monte Carlo RT-CB method. In the ray tracing, the electromagnetic phases within the microscopic volume elements are omitted as having negligible lengths, whereas the phases are duly accounted for in the paths between two or more microscopic volume elements. We assess the computational feasibility of the extended RT-CB method and show preliminary results for particulate media mimicking planetary regoliths. The present work can be utilized in the interpretation of astronomical observations of asteroids and other planetary objects. In particular, the work sheds light on the depolarization characteristics of planetary regoliths at small phase angles near opposition. The research has been partially funded by the ERC Advanced Grant No 320773 entitled “Scattering and Absorption of Electromagnetic Waves in Particulate Media” (SAEMPL), by the Academy of Finland (contract 257966), NASA Outer Planets Research Program (contract NNX10AP93G), and NASA Lunar Advanced Science and Exploration Research Program (contract NNX11AB25G).
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Magnetic micro/nanoparticle flocculation-based signal amplification for biosensing
Mzava, Omary; Taş, Zehra; İçöz, Kutay
2016-01-01
We report a time and cost efficient signal amplification method for biosensors employing magnetic particles. In this method, magnetic particles in an applied external magnetic field form magnetic dipoles, interact with each other, and accumulate along the magnetic field lines. This magnetic interaction does not need any biomolecular coating for binding and can be controlled with the strength of the applied magnetic field. The accumulation can be used to amplify the corresponding pixel area that is obtained from an image of a single magnetic particle. An application of the method to the Escherichia coli 0157:H7 bacteria samples is demonstrated in order to show the potential of the approach. A minimum of threefold to a maximum of 60-fold amplification is reached from a single bacteria cell under a magnetic field of 20 mT. PMID:27354793
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Apparatus and method for tracking a molecule or particle in three dimensions
Werner, James H [Los Alamos, NM; Goodwin, Peter M [Los Alamos, NM; Lessard, Guillaume [Santa Fe, NM
2009-03-03
An apparatus and method were used to track the movement of fluorescent particles in three dimensions. Control software was used with the apparatus to implement a tracking algorithm for tracking the motion of the individual particles in glycerol/water mixtures. Monte Carlo simulations suggest that the tracking algorithms in combination with the apparatus may be used for tracking the motion of single fluorescent or fluorescently labeled biomolecules in three dimensions.
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Real-Time Detection Method And System For Identifying Individual Aerosol Particles
Gard, Eric Evan; Fergenson, David Philip
2005-10-25
A method and system of identifying individual aerosol particles in real time. Sample aerosol particles are compared against and identified with substantially matching known particle types by producing positive and negative test spectra of an individual aerosol particle using a bipolar single particle mass spectrometer. Each test spectrum is compared to spectra of the same respective polarity in a database of predetermined positive and negative spectra for known particle types and a set of substantially matching spectra is obtained. Finally the identity of the individual aerosol particle is determined from the set of substantially matching spectra by determining a best matching one of the known particle types having both a substantially matching positive spectrum and a substantially matching negative spectrum associated with the best matching known particle type.
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Method and Apparatus for Separating Particles by Dielectrophoresis
NASA Technical Reports Server (NTRS)
Pant, Kapil (Inventor); Wang, Yi (Inventor); Bhatt, Ketan (Inventor); Prabhakarpandian, Balabhasker (Inventor)
2014-01-01
Particle separation apparatus separate particles and particle populations using dielectrophoretic (DEP) forces generated by one or more pairs of electrically coupled electrodes separated by a gap. Particles suspended in a fluid are separated by DEP forces generated by the at least one electrode pair at the gap as they travel over a separation zone comprising the electrode pair. Selected particles are deflected relative to the flow of incoming particles by DEP forces that are affected by controlling applied potential, gap width, and the angle linear gaps with respect to fluid flow. The gap between an electrode pair may be a single, linear gap of constant gap, a single linear gap having variable width, or a be in the form of two or more linear gaps having constant or variable gap width having different angles with respect to one another and to the flow.
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Single particle analysis based on Zernike phase contrast transmission electron microscopy.
Danev, Radostin; Nagayama, Kuniaki
2008-02-01
We present the first application of Zernike phase-contrast transmission electron microscopy to single-particle 3D reconstruction of a protein, using GroEL chaperonin as the test specimen. We evaluated the performance of the technique by comparing 3D models derived from Zernike phase contrast imaging, with models from conventional underfocus phase contrast imaging. The same resolution, about 12A, was achieved by both imaging methods. The reconstruction based on Zernike phase contrast data required about 30% fewer particles. The advantages and prospects of each technique are discussed.
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Three-dimensional particle tracking via tunable color-encoded multiplexing.
Duocastella, Martí; Theriault, Christian; Arnold, Craig B
2016-03-01
We present a novel 3D tracking approach capable of locating single particles with nanometric precision over wide axial ranges. Our method uses a fast acousto-optic liquid lens implemented in a bright field microscope to multiplex light based on color into different and selectable focal planes. By separating the red, green, and blue channels from an image captured with a color camera, information from up to three focal planes can be retrieved. Multiplane information from the particle diffraction rings enables precisely locating and tracking individual objects up to an axial range about 5 times larger than conventional single-plane approaches. We apply our method to the 3D visualization of the well-known coffee-stain phenomenon in evaporating water droplets.
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Drift correction of the dissolved signal in single particle ICPMS.
Cornelis, Geert; Rauch, Sebastien
2016-07-01
A method is presented where drift, the random fluctuation of the signal intensity, is compensated for based on the estimation of the drift function by a moving average. It was shown using single particle ICPMS (spICPMS) measurements of 10 and 60 nm Au NPs that drift reduces accuracy of spICPMS analysis at the calibration stage and during calculations of the particle size distribution (PSD), but that the present method can again correct the average signal intensity as well as the signal distribution of particle-containing samples skewed by drift. Moreover, deconvolution, a method that models signal distributions of dissolved signals, fails in some cases when using standards and samples affected by drift, but the present method was shown to improve accuracy again. Relatively high particle signals have to be removed prior to drift correction in this procedure, which was done using a 3 × sigma method, and the signals are treated separately and added again. The method can also correct for flicker noise that increases when signal intensity is increased because of drift. The accuracy was improved in many cases when flicker correction was used, but when accurate results were obtained despite drift, the correction procedures did not reduce accuracy. The procedure may be useful to extract results from experimental runs that would otherwise have to be run again. Graphical Abstract A method is presented where a spICP-MS signal affected by drift (left) is corrected (right) by adjusting the local (moving) averages (green) and standard deviations (purple) to the respective values at a reference time (red). In combination with removing particle events (blue) in the case of calibration standards, this method is shown to obtain particle size distributions where that would otherwise be impossible, even when the deconvolution method is used to discriminate dissolved and particle signals.
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Single-particle properties of the Hubbard model in a novel three-pole approximation
NASA Astrophysics Data System (ADS)
Di Ciolo, Andrea; Avella, Adolfo
2018-05-01
We study the 2D Hubbard model using the Composite Operator Method within a novel three-pole approximation. Motivated by the long-standing experimental puzzle of the single-particle properties of the underdoped cuprates, we include in the operatorial basis, together with the usual Hubbard operators, a field describing the electronic transitions dressed by the nearest-neighbor spin fluctuations, which play a crucial role in the unconventional behavior of the Fermi surface and of the electronic dispersion. Then, we adopt this approximation to study the single-particle properties in the strong coupling regime and find an unexpected behavior of the van Hove singularity that can be seen as a precursor of a pseudogap regime.
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NASA Astrophysics Data System (ADS)
Knopf, D. A.; Alpert, P. A.; Wang, B.; OBrien, R. E.; Moffet, R. C.; Aller, J. Y.; Laskin, A.; Gilles, M.
2013-12-01
Atmospheric ice formation represents one of the least understood atmospheric processes with important implications for the hydrological cycle and climate. Current freezing descriptions assume that ice active sites on the particle surface initiate ice nucleation, however, the nature of these sites remains elusive. Here, we present a new experimental method that allows us to relate physical and chemical properties of individual particles with observed water uptake and ice nucleation ability using a combination of micro-spectroscopic and optical single particle analytical techniques. We apply this method to field-collected particles and particles generated via bursting of bubbles produced by glass frit aeration and plunging water impingement jets in a mesocosm containing artificial sea water and bacteria and/or phytoplankton. The most efficient ice nuclei (IN) within a particle population are identified and characterized. Single particle characterization is achieved by computer controlled scanning electron microscopy with energy dispersive analysis of X-rays (CCSEM/EDX) and scanning transmission X-ray microscopy with near edge X-ray absorption fine structure spectroscopy. A vapor controlled cooling-stage coupled to an optical microscope is used to determine the onsets of water uptake, immersion freezing, and deposition ice nucleation of the individual particles as a function of temperature (T) as low as 200 K and relative humidity (RH) up to water saturation. In addition, we perform CCSEM/EDX to obtain on a single particle level the elemental composition of the entire particle population. Thus, we can determine if the IN are exceptional in nature or belong to a major particle type class with respect to composition and size. We find that ambient and sea spray particles are coated by organic material and can induce ice formation under tropospheric relevant conditions. Micro-spectroscopic single particle analysis of the investigated particle samples invokes a potential paradigm shift: Individual ice nucleating particle composition indicates that IN are similar to the majority of particles in the population and not exceptional. This suggests that composition alone may not be a determinant for IN identification. Furthermore, the results suggest that particle abundance may be a crucial parameter for IN efficiency when predicting cloud glaciation processes. These findings would have important consequences for cloud modeling, laboratory ice nucleation experiments, and field measurements.
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Johnston, Roger G.
1988-01-01
Interferometric apparatus and method for detection and characterization of particles using light scattered therefrom. Differential phase measurements on scattered light from particles are possible using the two-frequency Zeeman effect laser which emits two frequencies of radiation 250 kHz apart. Excellent discrimination and reproducibility for various pure pollen and bacterial samples in suspension have been observed with a single polarization element. Additionally, a 250 kHz beat frequency was recorded from an individual particle traversing the focused output from the laser in a flow cytometer.
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Apparatus and method for detection and characterization of particles using light scattered therefrom
Johnston, R.G.
1987-03-23
Apparatus and method for detection and characterization of particles using light scattered therefrom. Differential phase measurements on scattered light from particles are possible using the two-frequency Zeeman effect laser which emits two frequencies of radiation 250 kHz apart. Excellent discrimination and reproducibility for various pure pollen and bacterial samples in suspension have been observed with a single polarization element. Additionally, a 250 kHz beat frequency was recorded from an individual particle traversing the focused output from the laser in a flow cytometer. 13 figs.
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Design study of beam position monitors for measuring second-order moments of charged particle beams
NASA Astrophysics Data System (ADS)
Yanagida, Kenichi; Suzuki, Shinsuke; Hanaki, Hirofumi
2012-01-01
This paper presents a theoretical investigation on the multipole moments of charged particle beams in two-dimensional polar coordinates. The theoretical description of multipole moments is based on a single-particle system that is expanded to a multiparticle system by superposition, i.e., summing over all single-particle results. This paper also presents an analysis and design method for a beam position monitor (BPM) that detects higher-order (multipole) moments of a charged particle beam. To calculate the electric fields, a numerical analysis based on the finite difference method was created and carried out. Validity of the numerical analysis was proven by comparing the numerical with the analytical results for a BPM with circular cross section. Six-electrode BPMs with circular and elliptical cross sections were designed for the SPring-8 linac. The results of the numerical calculations show that the second-order moment can be detected for beam sizes ≧420μm (circular) and ≧550μm (elliptical).
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Two-dimensional single-cell patterning with one cell per well driven by surface acoustic waves
Collins, David J.; Morahan, Belinda; Garcia-Bustos, Jose; Doerig, Christian; Plebanski, Magdalena; Neild, Adrian
2015-01-01
In single-cell analysis, cellular activity and parameters are assayed on an individual, rather than population-average basis. Essential to observing the activity of these cells over time is the ability to trap, pattern and retain them, for which previous single-cell-patterning work has principally made use of mechanical methods. While successful as a long-term cell-patterning strategy, these devices remain essentially single use. Here we introduce a new method for the patterning of multiple spatially separated single particles and cells using high-frequency acoustic fields with one cell per acoustic well. We characterize and demonstrate patterning for both a range of particle sizes and the capture and patterning of cells, including human lymphocytes and red blood cells infected by the malarial parasite Plasmodium falciparum. This ability is made possible by a hitherto unexplored regime where the acoustic wavelength is on the same order as the cell dimensions. PMID:26522429
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NASA Astrophysics Data System (ADS)
Nikolaev, M. A.; Klapdor-Kleingrothaus, H. V.
1993-06-01
We present calculations of the nuclear from factors for spin-dependent elastic scattering of dark matter WIMPs from123Te and131Xe isotopes, proposed to be used for dark matter detection. A method based on the theory of finite Fermi systems was used to describe the reduction of the single-particle spin-dependent matrix elements in the nuclear medium. Nucleon single-particle states were calculated in a realistic shell model potential; pairing effects were treated within the BCS model. The coupling of the lowest single-particle levels in123Te to collective 2+ excitations of the core was taken into account phenomenologically. The calculated nuclear form factors are considerably less then the single-particle ones for low momentum transfer. At high momentum transfer some dynamical amplification takes place due to the pion exchange term in the effective nuclear interaction. But as the momentum transfer increases, the difference disappears, the momentum transfer increases and the quenching effect disappears. The shape of the nuclear form factor for the131Xe isotope differs from the one obtained using an oscillator basis.
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3D structural fluctuation of IgG1 antibody revealed by individual particle electron tomography
DOE Office of Scientific and Technical Information (OSTI.GOV)
Zhang, Xing; Zhang, Lei; Tong, Huimin
2015-05-05
Commonly used methods for determining protein structure, including X-ray crystallography and single-particle reconstruction, often provide a single and unique three-dimensional (3D) structure. However, in these methods, the protein dynamics and flexibility/fluctuation remain mostly unknown. Here, we utilized advances in electron tomography (ET) to study the antibody flexibility and fluctuation through structural determination of individual antibody particles rather than averaging multiple antibody particles together. Through individual-particle electron tomography (IPET) 3D reconstruction from negatively-stained ET images, we obtained 120 ab-initio 3D density maps at an intermediate resolution (~1–3 nm) from 120 individual IgG1 antibody particles. Using these maps as a constraint, wemore » derived 120 conformations of the antibody via structural flexible docking of the crystal structure to these maps by targeted molecular dynamics simulations. Statistical analysis of the various conformations disclosed the antibody 3D conformational flexibility through the distribution of its domain distances and orientations. This blueprint approach, if extended to other flexible proteins, may serve as a useful methodology towards understanding protein dynamics and functions.« less
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Thermal stability of bubble domains in ferromagnetic discs
NASA Astrophysics Data System (ADS)
Hrkac, G.; Bance, S.; Goncharov, A.; Schrefl, T.; Suess, D.
2007-05-01
The transition and thermal stability of disc-shaped ferromagnetic particles at the temperature of T = 300 K with a uniaxial anisotropy along the symmetry axis from a bi-domain to a single domain state has been studied. The nudge elastic band method was used to map the energy landscape and to calculate the energy barrier between the transition states. For single FePt disc-shaped particles with perpendicular anisotropy three transition configurations have been found: single domain, stripe- and stable bubble domains at zero applied field. The single domain configuration along the positive anisotropy axis is reached by an annihilation process of the domain wall and the all-down state by a complex domain expansion process. Magnetization configurations in two interacting discs show an increase in thermal stability compared with single disc systems, which is attributed to the interacting magnetostatic energy between the two particles.
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NASA Astrophysics Data System (ADS)
Srinivasa Rao, K.; Ranga Nayakulu, S. V.; Chaitanya Varma, M.; Choudary, G. S. V. R. K.; Rao, K. H.
2018-04-01
The present investigation describes the development of cobalt ferrite nanoparticles having size less than 10 nm, by a sol-gel method using polyvinyl alcohol as chelating agent. X-ray results show all the samples, annealed above 700 °C have spinel structure. The information about phase evolution with reaction temperatures was obtained by subjecting the as-prepared powder for DSC/TGA study. High saturation magnetization of 84.63 emu/g has been observed for a particle size of 8.1 nm, a rare event reported till date. The dM/dH versus H curves suggest that the transition from single domain state to multi-domain state occurs with increasing annealing temperature and the critical size for the single domain nature of CoFe2O4 is around 6.5 nm. The estimated critical diameter for single domain particle (6.7 nm) is in good agreement with that (6.5 nm) obtained from Transmission Electron Micrographs. The highest coercivity (1645 Oe) has been found for a particle of size 6.5 nm.
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Numerical investigation of the dynamics of Janus magnetic particles in a rotating magnetic field
NASA Astrophysics Data System (ADS)
Kim, Hui Eun; Kim, Kyoungbeom; Ma, Tae Yeong; Kang, Tae Gon
2017-02-01
We investigated the rotational dynamics of Janus magnetic particles suspended in a viscous liquid, in the presence of an externally applied rotating magnetic field. A previously developed two-dimensional direct simulation method, based on the finite element method and a fictitious domain method, is employed to solve the magnetic particulate flow. As for the magnetic problem, the two Maxwell equations are converted to a differential equation using the magnetic potential. The magnetic forces acting on the particles are treated by a Maxwell stress tensor formulation, enabling us to consider the magnetic interactions among the particles without any approximation. The dynamics of a single particle in the rotating field is studied to elucidate the effect of the Mason number and the magnetic susceptibility on the particle motions. Then, we extended our interest to a two-particle problem, focusing on the effect of the initial configuration of the particles on the particle motions. In three-particle interaction problems, the particle dynamics and the fluid flow induced by the particle motions are significantly affected by the particle configuration and the orientation of each particle.
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Objective comparison of particle tracking methods.
Chenouard, Nicolas; Smal, Ihor; de Chaumont, Fabrice; Maška, Martin; Sbalzarini, Ivo F; Gong, Yuanhao; Cardinale, Janick; Carthel, Craig; Coraluppi, Stefano; Winter, Mark; Cohen, Andrew R; Godinez, William J; Rohr, Karl; Kalaidzidis, Yannis; Liang, Liang; Duncan, James; Shen, Hongying; Xu, Yingke; Magnusson, Klas E G; Jaldén, Joakim; Blau, Helen M; Paul-Gilloteaux, Perrine; Roudot, Philippe; Kervrann, Charles; Waharte, François; Tinevez, Jean-Yves; Shorte, Spencer L; Willemse, Joost; Celler, Katherine; van Wezel, Gilles P; Dan, Han-Wei; Tsai, Yuh-Show; Ortiz de Solórzano, Carlos; Olivo-Marin, Jean-Christophe; Meijering, Erik
2014-03-01
Particle tracking is of key importance for quantitative analysis of intracellular dynamic processes from time-lapse microscopy image data. Because manually detecting and following large numbers of individual particles is not feasible, automated computational methods have been developed for these tasks by many groups. Aiming to perform an objective comparison of methods, we gathered the community and organized an open competition in which participating teams applied their own methods independently to a commonly defined data set including diverse scenarios. Performance was assessed using commonly defined measures. Although no single method performed best across all scenarios, the results revealed clear differences between the various approaches, leading to notable practical conclusions for users and developers.
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Cotterell, Michael I; Mason, Bernard J; Carruthers, Antonia E; Walker, Jim S; Orr-Ewing, Andrew J; Reid, Jonathan P
2014-02-07
A single horizontally-propagating zeroth order Bessel laser beam with a counter-propagating gas flow was used to confine single fine-mode aerosol particles over extended periods of time, during which process measurements were performed. Particle sizes were measured by the analysis of the angular variation of light scattered at 532 nm by a particle in the Bessel beam, using either a probe beam at 405 nm or 633 nm. The vapour pressures of glycerol and 1,2,6-hexanetriol particles were determined to be 7.5 ± 2.6 mPa and 0.20 ± 0.02 mPa respectively. The lower volatility of hexanetriol allowed better definition of the trapping environment relative humidity profile over the measurement time period, thus higher precision measurements were obtained compared to those for glycerol. The size evolution of a hexanetriol particle, as well as its refractive index at wavelengths 532 nm and 405 nm, were determined by modelling its position along the Bessel beam propagation length while collecting phase functions with the 405 nm probe beam. Measurements of the hygroscopic growth of sodium chloride and ammonium sulfate have been performed on particles as small as 350 nm in radius, with growth curves well described by widely used equilibrium state models. These are the smallest particles for which single-particle hygroscopicity has been measured and represent the first measurements of hygroscopicity on fine mode and near-accumulation mode aerosols, the size regimes bearing the most atmospheric relevance in terms of loading, light extinction and scattering. Finally, the technique is contrasted with other single particle and ensemble methods, and limitations are assessed.
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Distribution of breakage events in random packings of rodlike particles.
Grof, Zdeněk; Štěpánek, František
2013-07-01
Uniaxial compaction and breakage of rodlike particle packing has been studied using a discrete element method simulation. A scaling relationship between the applied stress, the number of breakage events, and the number-mean particle length has been derived and compared with computational experiments. Based on results for a wide range of intrinsic particle strengths and initial particle lengths, it seems that a single universal relation can be used to describe the incidence of breakage events during compaction of rodlike particle layers.
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Fixation and chemical analysis of single fog and rain droplets
NASA Astrophysics Data System (ADS)
Kasahara, M.; Akashi, S.; Ma, C.-J.; Tohno, S.
Last decade, the importance of global environmental problems has been recognized worldwide. Acid rain is one of the most important global environmental problems as well as the global warming. The grasp of physical and chemical properties of fog and rain droplets is essential to make clear the physical and chemical processes of acid rain and also their effects on forests, materials and ecosystems. We examined the physical and chemical properties of single fog and raindrops by applying fixation technique. The sampling method and treatment procedure to fix the liquid droplets as a solid particle were investigated. Small liquid particles like fog droplet could be easily fixed within few minutes by exposure to cyanoacrylate vapor. The large liquid particles like raindrops were also fixed successively, but some of them were not perfect. Freezing method was applied to fix the large raindrops. Frozen liquid particles existed stably by exposure to cyanoacrylate vapor after freezing. The particle size measurement and the elemental analysis of the fixed particle were performed in individual base using microscope, and SEX-EDX, particle-induced X-ray emission (PIXE) and micro-PIXE analyses, respectively. The concentration in raindrops was dependent upon the droplet size and the elapsed time from the beginning of rainfall.
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NASA Astrophysics Data System (ADS)
Gassmöller, Rene; Bangerth, Wolfgang
2016-04-01
Particle-in-cell methods have a long history and many applications in geodynamic modelling of mantle convection, lithospheric deformation and crustal dynamics. They are primarily used to track material information, the strain a material has undergone, the pressure-temperature history a certain material region has experienced, or the amount of volatiles or partial melt present in a region. However, their efficient parallel implementation - in particular combined with adaptive finite-element meshes - is complicated due to the complex communication patterns and frequent reassignment of particles to cells. Consequently, many current scientific software packages accomplish this efficient implementation by specifically designing particle methods for a single purpose, like the advection of scalar material properties that do not evolve over time (e.g., for chemical heterogeneities). Design choices for particle integration, data storage, and parallel communication are then optimized for this single purpose, making the code relatively rigid to changing requirements. Here, we present the implementation of a flexible, scalable and efficient particle-in-cell method for massively parallel finite-element codes with adaptively changing meshes. Using a modular plugin structure, we allow maximum flexibility of the generation of particles, the carried tracer properties, the advection and output algorithms, and the projection of properties to the finite-element mesh. We present scaling tests ranging up to tens of thousands of cores and tens of billions of particles. Additionally, we discuss efficient load-balancing strategies for particles in adaptive meshes with their strengths and weaknesses, local particle-transfer between parallel subdomains utilizing existing communication patterns from the finite element mesh, and the use of established parallel output algorithms like the HDF5 library. Finally, we show some relevant particle application cases, compare our implementation to a modern advection-field approach, and demonstrate under which conditions which method is more efficient. We implemented the presented methods in ASPECT (aspect.dealii.org), a freely available open-source community code for geodynamic simulations. The structure of the particle code is highly modular, and segregated from the PDE solver, and can thus be easily transferred to other programs, or adapted for various application cases.
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NASA Astrophysics Data System (ADS)
Zoriniants, George; Masia, Francesco; Giannakopoulou, Naya; Langbein, Wolfgang; Borri, Paola
2017-10-01
Single nanoparticle tracking using optical microscopy is a powerful technique with many applications in biology, chemistry, and material sciences. Despite significant advances, localizing objects with nanometric position precision in a scattering environment remains challenging. Applied methods to achieve contrast are dominantly fluorescence based, with fundamental limits in the emitted photon fluxes arising from the excited-state lifetime as well as photobleaching. Here, we show a new four-wave-mixing interferometry technique, whereby the position of a single nonfluorescing gold nanoparticle of 25-nm radius is determined with 16 nm precision in plane and 3 nm axially from rapid single-point measurements at 1-ms acquisition time by exploiting optical vortices. The precision in plane is consistent with the photon shot-noise, while axially it is limited by the nano-positioning sample stage, with an estimated photon shot-noise limit of 0.5 nm. The detection is background-free even inside biological cells. The technique is also uniquely sensitive to particle asymmetries of only 0.5% ellipticity, corresponding to a single atomic layer of gold, as well as particle orientation. This method opens new ways of unraveling single-particle trafficking within complex 3D architectures.
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Effect of short-range correlations on the single proton 3s1/2 wave function in 206Pb
NASA Astrophysics Data System (ADS)
Shlomo, S.; Talmi, I.; Anders, M. R.; Bonasera, G.
2018-02-01
We consider the experimental data for difference, Δρc (r), between the charge density distributions of the isotones 206Pb - 205Tl, deduced by analysis of elastic electron scattering measurements and corresponds to the shell model 3s1/2 proton orbit. We investigate the effects of two-body short-range correlations. This is done by: (a) Determining the corresponding single particle potential (mean-field), employing a novel method, directly from the single particle proton density and its first and second derivatives. We also carried out least-square fits to parametrized single particle potentials; (b) Determining the short-range correlations effect by employing the Jastrow correlated many-body wave function to derive a correlation factor for the single particle density distribution. The 3s 1/2 wave functions of the determined potentials reproduce fairly well the experimental data within the quoted errors. The calculated charge density difference, Δρc (r), obtained with the inclusion of the short-range correlation effect does not reproduce the experimental data.
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Single-particle cryo-EM-Improved ab initio 3D reconstruction with SIMPLE/PRIME.
Reboul, Cyril F; Eager, Michael; Elmlund, Dominika; Elmlund, Hans
2018-01-01
Cryogenic electron microscopy (cryo-EM) and single-particle analysis now enables the determination of high-resolution structures of macromolecular assemblies that have resisted X-ray crystallography and other approaches. We developed the SIMPLE open-source image-processing suite for analysing cryo-EM images of single-particles. A core component of SIMPLE is the probabilistic PRIME algorithm for identifying clusters of images in 2D and determine relative orientations of single-particle projections in 3D. Here, we extend our previous work on PRIME and introduce new stochastic optimization algorithms that improve the robustness of the approach. Our refined method for identification of homogeneous subsets of images in accurate register substantially improves the resolution of the cluster centers and of the ab initio 3D reconstructions derived from them. We now obtain maps with a resolution better than 10 Å by exclusively processing cluster centers. Excellent parallel code performance on over-the-counter laptops and CPU workstations is demonstrated. © 2017 The Protein Society.
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Adsorbent for metal ions and method of making and using
White, Lloyd R.; Lundquist, Susan H.
1999-01-01
A method comprises the step of spray-drying a solution or slurry comprising (alkali metal or ammonium) (metal) hexacyanoferrate particles in a liquid, to provide monodisperse, substantially spherical particles in a yield of at least 70 percent of theoretical yield and having a particle size in the range of 1 to 500 micrometers, said particles being active towards Cs ions. The particles, which can be of a single salt or a combination of salts, can be used free flowing, in columns or beds, or entrapped in a nonwoven, fibrous web or matrix or a cast porous membrane, to selectively remove Cs ions from aqueous solutions.
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Adsorbent for metal ions and method of making and using
White, L.R.; Lundquist, S.H.
1999-08-10
A method comprises the step of spray-drying a solution or slurry comprising (alkali metal or ammonium) (metal) hexacyanoferrate particles in a liquid, to provide monodisperse, substantially spherical particles in a yield of at least 70 percent of theoretical yield and having a particle size in the range of 1 to 500 micrometers, said particles being active towards Cs ions. The particles, which can be of a single salt or a combination of salts, can be used free flowing, in columns or beds, or entrapped in a nonwoven, fibrous web or matrix or a cast porous membrane, to selectively remove Cs ions from aqueous solutions. 2 figs.
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Adsorbent for metal ions and method of making and using
White, Lloyd R.; Lundquist, Susan H.
2000-01-01
A method comprises the step of spray-drying a solution or slurry comprising (alkali metal or ammonium) (metal) hexacyanoferrate particles in a liquid, to provide monodisperse, substantially spherical particles in a yield of at least 70 percent of theoretical yield and having a particle size in the range of 1 to 500 micrometers, said particles being active towards Cs ions. The particles, which can be of a single salt or a combination of salts, can be used free flowing, in columns or beds, or entrapped in a nonwoven, fibrous web or matrix or a cast porous membrane, to selectively remove Cs ions from aqueous solutions.
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NASA Technical Reports Server (NTRS)
Mishchenko, Michael; Hansen, James E. (Technical Monitor)
2001-01-01
The recent availability of theoretical techniques for computing single and multiple scattering of light by realistic polydispersions of spherical and nonspherical particles and the strong dependence of the Stokes scattering matrix on particle size, shape, and refractive index make polarization and depolarization measurements a powerful particle characterization tool. In this presentation I will describe recent applications of photopolarimetric and lidar depolarization measurements to remote sensing characterization of tropospheric aerosols, polar stratospheric clouds (PSCs), and contrails. The talk will include (1) a short theoretical overview of the effects of particle microphysics on particle single-scattering characteristics; (2) the use of multi-angle multi-spectral photopolarimetry to retrieve the optical thickness, size distribution, refractive index, and number concentration of tropospheric aerosols over the ocean surface; and (3) the application of the T-matrix method to constraining the PSC and contrail particle microphysics using multi-spectral measurements of lidar backscatter and depolarization.
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Modeling Optical Properties of Mineral Aerosol Particles by Using Nonsymmetric Hexahedra
NASA Technical Reports Server (NTRS)
Bi, Lei; Yang, Ping; Kattawar, George W.; Kahn, Ralph
2010-01-01
We explore the use of nonsymmetric geometries to simulate the single-scattering properties of airborne dust particles with complicated morphologies. Specifically, the shapes of irregular dust particles are assumed to be nonsymmetric hexahedra defined by using the Monte Carlo method. A combination of the discrete dipole approximation method and an improved geometric optics method is employed to compute the single-scattering properties of dust particles for size parameters ranging from 0.5 to 3000. The primary optical effect of eliminating the geometric symmetry of regular hexahedra is to smooth the scattering features in the phase function and to decrease the backscatter. The optical properties of the nonsymmetric hexahedra are used to mimic the laboratory measurements. It is demonstrated that a relatively close agreement can be achieved by using only one shape of nonsymmetric hexahedra. The agreement between the theoretical results and their measurement counterparts can be further improved by using a mixture of nonsymmetric hexahedra. It is also shown that the hexahedron model is much more appropriate than the "equivalent sphere" model for simulating the optical properties of dust particles, particularly, in the case of the elements of the phase matrix that associated with the polarization state of scattered light.
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Laser pyrolysis fabrication of ferromagnetic gamma'-Fe4N and FeC nanoparticles
NASA Technical Reports Server (NTRS)
Grimes, C. A.; Qian, D.; Dickey, E. C.; Allen, J. L.; Eklund, P. C.
2000-01-01
Using the laser pyrolysis method, single phase gamma'-Fe4N nanoparticles were prepared by a two step method involving preparation of nanoscale iron oxide and a subsequent gas-solid nitridation reaction. Single phase Fe3C and Fe7C3 could be prepared by laser pyrolysis from Fe(CO)5 and 3C2H4 directly. Characterization techniques such as XRD, TEM and vibrating sample magnetometer were used to measure phase structure, particle size and magnetic properties of these nanoscale nitride and carbide particles. c2000 American Journal of Physics.
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NASA Technical Reports Server (NTRS)
Zuffada, Cinzia; Crisp, David
1997-01-01
Reliable descriptions of the optical properties of clouds and aerosols are essential for studies of radiative transfer in planetary atmospheres. The scattering algorithms provide accurate estimates of these properties for spherical particles with a wide range of sizes and refractive indices, but these methods are not valid for non-spherical particles (e.g., ice crystals, mineral dust, and smoke). Even though a host of methods exist for deriving the optical properties of nonspherical particles that are very small or very large compared with the wavelength, only a few methods are valid in the resonance regime, where the particle dimensions are comparable with the wavelength. Most such methods are not ideal for particles with sharp edges or large axial ratios. We explore the utility of an integral equation approach for deriving the single-scattering optical properties of axisymmetric particles with large axial ratios. The accuracy of this technique is shown for spheres of increasing size parameters and an ensemble of randomly oriented prolate spheroids of size parameter equal to 10.079368. In this last case our results are compared with published results obtained with the T-matrix approach. Next we derive cross sections, single-scattering albedos, and phase functions for cylinders, disks, and spheroids of ice with dimensions extending from the Rayleigh to the geometric optics regime. Compared with those for a standard surface integral equation method, the storage requirement and the computer time needed by this method are reduced, thus making it attractive for generating databases to be used in multiple-scattering calculations. Our results show that water ice disks and cylinders are more strongly absorbing than equivalent volume spheres at most infrared wavelengths. The geometry of these particles also affects the angular dependence of the scattering. Disks and columns with maximum linear dimensions larger than the wavelength scatter much more radiation in the forward and backward directions and much less radiation at intermediate phase angles than equivalent volume spheres.
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NASA Technical Reports Server (NTRS)
Chou, Ming-Dah; Lee, Kyu-Tae; Yang, Ping; Lau, William K. M. (Technical Monitor)
2002-01-01
Based on the single-scattering optical properties pre-computed with an improved geometric optics method, the bulk absorption coefficient, single-scattering albedo, and asymmetry factor of ice particles have been parameterized as a function of the effective particle size of a mixture of ice habits, the ice water amount, and spectral band. The parameterization has been applied to computing fluxes for sample clouds with various particle size distributions and assumed mixtures of particle habits. It is found that flux calculations are not overly sensitive to the assumed particle habits if the definition of the effective particle size is consistent with the particle habits that the parameterization is based. Otherwise, the error in the flux calculations could reach a magnitude unacceptable for climate studies. Different from many previous studies, the parameterization requires only an effective particle size representing all ice habits in a cloud layer, but not the effective size of individual ice habits.
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Preparation of calibrated test packages for particle impact noise detection
NASA Technical Reports Server (NTRS)
1977-01-01
A standard calibration method for any particle impact noise detection (PIND) test system used to detect loose particles responsible for failures in hybrid circuits was developed along with a procedure for preparing PIND standard test devices. Hybrid packages were seeded with a single gold ball, hermetically sealed, leak tested, and PIND tested. Conclusions are presented.
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Fractal morphology, imaging and mass spectrometry of single aerosol particles in flight.
Loh, N D; Hampton, C Y; Martin, A V; Starodub, D; Sierra, R G; Barty, A; Aquila, A; Schulz, J; Lomb, L; Steinbrener, J; Shoeman, R L; Kassemeyer, S; Bostedt, C; Bozek, J; Epp, S W; Erk, B; Hartmann, R; Rolles, D; Rudenko, A; Rudek, B; Foucar, L; Kimmel, N; Weidenspointner, G; Hauser, G; Holl, P; Pedersoli, E; Liang, M; Hunter, M S; Hunter, M M; Gumprecht, L; Coppola, N; Wunderer, C; Graafsma, H; Maia, F R N C; Ekeberg, T; Hantke, M; Fleckenstein, H; Hirsemann, H; Nass, K; White, T A; Tobias, H J; Farquar, G R; Benner, W H; Hau-Riege, S P; Reich, C; Hartmann, A; Soltau, H; Marchesini, S; Bajt, S; Barthelmess, M; Bucksbaum, P; Hodgson, K O; Strüder, L; Ullrich, J; Frank, M; Schlichting, I; Chapman, H N; Bogan, M J
2012-06-27
The morphology of micrometre-size particulate matter is of critical importance in fields ranging from toxicology to climate science, yet these properties are surprisingly difficult to measure in the particles' native environment. Electron microscopy requires collection of particles on a substrate; visible light scattering provides insufficient resolution; and X-ray synchrotron studies have been limited to ensembles of particles. Here we demonstrate an in situ method for imaging individual sub-micrometre particles to nanometre resolution in their native environment, using intense, coherent X-ray pulses from the Linac Coherent Light Source free-electron laser. We introduced individual aerosol particles into the pulsed X-ray beam, which is sufficiently intense that diffraction from individual particles can be measured for morphological analysis. At the same time, ion fragments ejected from the beam were analysed using mass spectrometry, to determine the composition of single aerosol particles. Our results show the extent of internal dilation symmetry of individual soot particles subject to non-equilibrium aggregation, and the surprisingly large variability in their fractal dimensions. More broadly, our methods can be extended to resolve both static and dynamic morphology of general ensembles of disordered particles. Such general morphology has implications in topics such as solvent accessibilities in proteins, vibrational energy transfer by the hydrodynamic interaction of amino acids, and large-scale production of nanoscale structures by flame synthesis.
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Extracting joint weak values with local, single-particle measurements.
Resch, K J; Steinberg, A M
2004-04-02
Weak measurement is a new technique which allows one to describe the evolution of postselected quantum systems. It appears to be useful for resolving a variety of thorny quantum paradoxes, particularly when used to study properties of pairs of particles. Unfortunately, such nonlocal or joint observables often prove difficult to measure directly in practice (for instance, in optics-a common testing ground for this technique-strong photon-photon interactions would be needed to implement an appropriate von Neumann interaction). Here we derive a general, experimentally feasible, method for extracting these joint weak values from correlations between single-particle observables.
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Nasr, M M; Ross, D L; Miller, N C
1997-10-01
The purpose of this study is to investigate the effect of drug load, the coating of impactor stages, and the design of cascade impactors on albuterol MDIs particle size distribution measurements. The results of the investigation will be used to explain the "loading effect" recently reported. Particle size distribution parameters of a commercial albuterol MDI were measured using both Andersen (AI) and Marple-Miller (MMI) Cascade Impactors, where plates were either left uncoated or coated with silicone or glycerin. A previously validated HPLC-EC method was used for the assay of albuterol collected by the impactor and in single spray content determinations. Coating impactor collection plates had an impact on measured MMAD and GSD values for single puff measurements but very little or no effect for the multi puff measurements. Due to particle bounce, the percent of albuterol fine particles deposited in the filter and impactor finer stages (< 1.10 microns in AI and < 1.25 microns in MMI) in uncoated single puff experiments was much higher in comparison to either coated single puff or multi-puff (coated and uncoated) measurements. Evaluation of drug load and plate coating are necessary to determine whether observed particle size distributions are representative of the generated aerosol or are the result of particle bounce and reentrainment. In order to minimize particle bounce, especially for single puff determinations, it may be useful to apply a thin layer of a sticky coating agent to the surfaces of impactor plates.
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NASA Astrophysics Data System (ADS)
Lien, Chi-Hsiang; Lin, Chun-Yu; Chen, Shean-Jen; Chien, Fan-Ching
2017-02-01
A three-dimensional (3D) single fluorescent particle tracking strategy based on temporal focusing multiphoton excitation microscopy (TFMPEM) combined with astigmatism imaging is proposed for delivering nanoscale-level axial information that reveals 3D trajectories of single fluorospheres in the axially-resolved multiphoton excitation volume without z-axis scanning. It provides the dynamical ability by measuring the diffusion coefficient of fluorospheres in glycerol solutions with a position standard deviation of 14 nm and 21 nm in the lateral and axial direction and a frame rate of 100 Hz. Moreover, the optical trapping force based on the TFMPEM is minimized to avoid the interference in the tracing measurements compared to that in the spatial focusing MPE approaches. Therefore, we presented a three dimensional single particle tracking strategy to overcome the limitation of the time resolution of the multiphoton imaging using fast frame rate of TFMPEM, and provide three dimensional locations of multiple particles using an astigmatism method.
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Attachment of micro- and nano-particles on tipless cantilevers for colloidal probe microscopy.
D'Sa, Dexter J; Chan, Hak-Kim; Chrzanowski, Wojciech
2014-07-15
Current colloidal probe preparation techniques face several challenges in the production of functional probes using particles ⩽5 μm. Challenges include: glue encapsulated particles, glue altered particle properties, improper particle or agglomerate attachment, and lengthy procedures. We present a method to rapidly and reproducibly produce functional micro and nano-colloidal probes. Using a six-step procedure, cantilevers mounted on a custom designed 45° holder were used to approach and obtain a minimal amount of epoxy resin (viscosity of ∼14,000 cP) followed by a single micron/nano particle on the apex of a tipless cantilever. The epoxy and particles were prepared on individual glass slides and subsequently affixed to a 10× or 40× optical microscope lens using another custom designed holder. Scanning electron microscopy and comparative glue-colloidal probe measurements were used to confirm colloidal probe functionality. The method presented allowed rapid and reproducible production of functional colloidal probes (80% success). Single nano-particles were prominently affixed to the apex of the cantilever, unaffected by the epoxy. Nano-colloidal probes were used to conduct topographical, instantaneous force, and adhesive force mapping measurements in dry and liquid media conveying their versatility and functionality in studying nano-colloidal systems. Copyright © 2014 Elsevier Inc. All rights reserved.
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NASA Astrophysics Data System (ADS)
Schwarz, Karsten; Rieger, Heiko
2013-03-01
We present an efficient Monte Carlo method to simulate reaction-diffusion processes with spatially varying particle annihilation or transformation rates as it occurs for instance in the context of motor-driven intracellular transport. Like Green's function reaction dynamics and first-passage time methods, our algorithm avoids small diffusive hops by propagating sufficiently distant particles in large hops to the boundaries of protective domains. Since for spatially varying annihilation or transformation rates the single particle diffusion propagator is not known analytically, we present an algorithm that generates efficiently either particle displacements or annihilations with the correct statistics, as we prove rigorously. The numerical efficiency of the algorithm is demonstrated with an illustrative example.
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NASA Astrophysics Data System (ADS)
Sellers, Michael S.; Lísal, Martin; Schweigert, Igor; Larentzos, James P.; Brennan, John K.
2017-01-01
In discrete particle simulations, when an atomistic model is coarse-grained, a tradeoff is made: a boost in computational speed for a reduction in accuracy. The Dissipative Particle Dynamics (DPD) methods help to recover lost accuracy of the viscous and thermal properties, while giving back a relatively small amount of computational speed. Since its initial development for polymers, one of the most notable extensions of DPD has been the introduction of chemical reactivity, called DPD-RX. In 2007, Maillet, Soulard, and Stoltz introduced implicit chemical reactivity in DPD through the concept of particle reactors and simulated the decomposition of liquid nitromethane. We present an extended and generalized version of the DPD-RX method, and have applied it to solid hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). Demonstration simulations of reacting RDX are performed under shock conditions using a recently developed single-site coarse-grain model and a reduced RDX decomposition mechanism. A description of the methods used to simulate RDX and its transition to hot product gases within DPD-RX is presented. Additionally, we discuss several examples of the effect of shock speed and microstructure on the corresponding material chemistry.
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Spectral Properties and Dynamics of Gold Nanorods Revealed by EMCCD Based Spectral-Phasor Method
Chen, Hongtao; Digman, Michelle A.
2015-01-01
Gold nanorods (NRs) with tunable plasmon-resonant absorption in the near-infrared region have considerable advantages over organic fluorophores as imaging agents. However, the luminescence spectral properties of NRs have not been fully explored at the single particle level in bulk due to lack of proper analytic tools. Here we present a global spectral phasor analysis method which allows investigations of NRs' spectra at single particle level with their statistic behavior and spatial information during imaging. The wide phasor distribution obtained by the spectral phasor analysis indicates spectra of NRs are different from particle to particle. NRs with different spectra can be identified graphically in corresponding spatial images with high spectral resolution. Furthermore, spectral behaviors of NRs under different imaging conditions, e.g. different excitation powers and wavelengths, were carefully examined by our laser-scanning multiphoton microscope with spectral imaging capability. Our results prove that the spectral phasor method is an easy and efficient tool in hyper-spectral imaging analysis to unravel subtle changes of the emission spectrum. Moreover, we applied this method to study the spectral dynamics of NRs during direct optical trapping and by optothermal trapping. Interestingly, spectral shifts were observed in both trapping phenomena. PMID:25684346
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NASA Astrophysics Data System (ADS)
Birdsall, A.; Krieger, U. K.; Keutsch, F. N.
2017-12-01
Dynamic changes to atmospheric aerosol particle composition (e.g., originating from evaporation/condensation, oxidative aging, or aqueous-phase chemical reactions) impact particle properties with importance for understanding particle effects on climate and human health. These changes can take place over the entire lifetime of an atmospheric particle, which can extend over multiple days. Previous laboratory studies of such processes have included analyzing single particles suspended in a levitation device, such as an electrodynamic balance (EDB), an optical levitator, or an acoustic trap, using optical detection techniques. However, studying chemically complex systems can require an analytical method, such as mass spectrometry, that provides more molecular specificity. Existing work coupling particle levitation with mass spectrometry is more limited and largely has consisted of acoustic levitation of millimeter-sized droplets.In this work an EDB has been coupled with a custom-built ionization source and commercial time-of-flight mass spectrometer (MS) as a platform for laboratory atmospheric chemistry research. Single charged particles (radius 10 μm) have been injected into an EDB, levitated for an arbitrarily long period of time, and then transferred to a vaporization-corona discharge ionization region for MS analysis. By analyzing a series of particles of identical composition, residing in the controlled environment of the EDB for varying times, we can trace the chemical evolution of a particle over hours or days, appropriate timescales for understanding transformations of atmospheric particles.To prove the concept of our EDB-MS system, we have studied the evaporation of particles consisting of polyethylene glycol (PEG) molecules of mixed chain lengths, used as a benchmark system. Our system can quantify the composition of single particles (see Figure for sample spectrum of a single PEG-200 particle: PEG parent ions labeled with m/z, known PEG fragment ions labeled with *). Furthermore, our measured evaporation rates are consistent with a kinetic model. We will discuss future types of experiments enabled by EDB-MS, by allowing detailed chemical changes of a particle in a controlled laboratory environment to be monitored on timescales mimicking those of particles in the atmosphere.
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Forces on a segregating particle
NASA Astrophysics Data System (ADS)
Lueptow, Richard M.; Shankar, Adithya; Fry, Alexander M.; Ottino, Julio M.; Umbanhowar, Paul B.
2017-11-01
Size segregation in flowing granular materials is not well understood at the particle level. In this study, we perform a series of 3D Discrete Element Method (DEM) simulations to measure the segregation force on a single spherical test particle tethered to a spring in the vertical direction in a shearing bed of particles with gravity acting perpendicular to the shear. The test particle is the same size or larger than the bed particles. At equilibrium, the downward spring force and test particle weight are offset by the upward buoyancy-like force and a size ratio dependent force. We find that the buoyancy-like force depends on the bed particle density and the Voronoi volume occupied by the test particle. By changing the density of the test particle with the particle size ratio such that the buoyancy force matches the test particle weight, we show that the upward size segregation force is a quadratic function of the particle size ratio. Based on this, we report an expression for the net force on a single particle as the sum of a size ratio dependent force, a buoyancy-like force, and the weight of the particle. Supported by NSF Grant CBET-1511450 and the Procter and Gamble Company.
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NASA Astrophysics Data System (ADS)
Montzka, Carsten; Hendricks Franssen, Harrie-Jan; Moradkhani, Hamid; Pütz, Thomas; Han, Xujun; Vereecken, Harry
2013-04-01
An adequate description of soil hydraulic properties is essential for a good performance of hydrological forecasts. So far, several studies showed that data assimilation could reduce the parameter uncertainty by considering soil moisture observations. However, these observations and also the model forcings were recorded with a specific measurement error. It seems a logical step to base state updating and parameter estimation on observations made at multiple time steps, in order to reduce the influence of outliers at single time steps given measurement errors and unknown model forcings. Such outliers could result in erroneous state estimation as well as inadequate parameters. This has been one of the reasons to use a smoothing technique as implemented for Bayesian data assimilation methods such as the Ensemble Kalman Filter (i.e. Ensemble Kalman Smoother). Recently, an ensemble-based smoother has been developed for state update with a SIR particle filter. However, this method has not been used for dual state-parameter estimation. In this contribution we present a Particle Smoother with sequentially smoothing of particle weights for state and parameter resampling within a time window as opposed to the single time step data assimilation used in filtering techniques. This can be seen as an intermediate variant between a parameter estimation technique using global optimization with estimation of single parameter sets valid for the whole period, and sequential Monte Carlo techniques with estimation of parameter sets evolving from one time step to another. The aims are i) to improve the forecast of evaporation and groundwater recharge by estimating hydraulic parameters, and ii) to reduce the impact of single erroneous model inputs/observations by a smoothing method. In order to validate the performance of the proposed method in a real world application, the experiment is conducted in a lysimeter environment.
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Stepanauskas, Ramunas; Fergusson, Elizabeth A; Brown, Joseph; Poulton, Nicole J; Tupper, Ben; Labonté, Jessica M; Becraft, Eric D; Brown, Julia M; Pachiadaki, Maria G; Povilaitis, Tadas; Thompson, Brian P; Mascena, Corianna J; Bellows, Wendy K; Lubys, Arvydas
2017-07-20
Microbial single-cell genomics can be used to provide insights into the metabolic potential, interactions, and evolution of uncultured microorganisms. Here we present WGA-X, a method based on multiple displacement amplification of DNA that utilizes a thermostable mutant of the phi29 polymerase. WGA-X enhances genome recovery from individual microbial cells and viral particles while maintaining ease of use and scalability. The greatest improvements are observed when amplifying high G+C content templates, such as those belonging to the predominant bacteria in agricultural soils. By integrating WGA-X with calibrated index-cell sorting and high-throughput genomic sequencing, we are able to analyze genomic sequences and cell sizes of hundreds of individual, uncultured bacteria, archaea, protists, and viral particles, obtained directly from marine and soil samples, in a single experiment. This approach may find diverse applications in microbiology and in biomedical and forensic studies of humans and other multicellular organisms.Single-cell genomics can be used to study uncultured microorganisms. Here, Stepanauskas et al. present a method combining improved multiple displacement amplification and FACS, to obtain genomic sequences and cell size information from uncultivated microbial cells and viral particles in environmental samples.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Chen, Guangye; Chacon, Luis; Barnes, Daniel C
2012-01-01
Recently, a fully implicit, energy- and charge-conserving particle-in-cell method has been developed for multi-scale, full-f kinetic simulations [G. Chen, et al., J. Comput. Phys. 230, 18 (2011)]. The method employs a Jacobian-free Newton-Krylov (JFNK) solver and is capable of using very large timesteps without loss of numerical stability or accuracy. A fundamental feature of the method is the segregation of particle orbit integrations from the field solver, while remaining fully self-consistent. This provides great flexibility, and dramatically improves the solver efficiency by reducing the degrees of freedom of the associated nonlinear system. However, it requires a particle push per nonlinearmore » residual evaluation, which makes the particle push the most time-consuming operation in the algorithm. This paper describes a very efficient mixed-precision, hybrid CPU-GPU implementation of the implicit PIC algorithm. The JFNK solver is kept on the CPU (in double precision), while the inherent data parallelism of the particle mover is exploited by implementing it in single-precision on a graphics processing unit (GPU) using CUDA. Performance-oriented optimizations, with the aid of an analytical performance model, the roofline model, are employed. Despite being highly dynamic, the adaptive, charge-conserving particle mover algorithm achieves up to 300 400 GOp/s (including single-precision floating-point, integer, and logic operations) on a Nvidia GeForce GTX580, corresponding to 20 25% absolute GPU efficiency (against the peak theoretical performance) and 50-70% intrinsic efficiency (against the algorithm s maximum operational throughput, which neglects all latencies). This is about 200-300 times faster than an equivalent serial CPU implementation. When the single-precision GPU particle mover is combined with a double-precision CPU JFNK field solver, overall performance gains 100 vs. the double-precision CPU-only serial version are obtained, with no apparent loss of robustness or accuracy when applied to a challenging long-time scale ion acoustic wave simulation.« less
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Image processing enhancement of high-resolution TEM micrographs of nanometer-size metal particles
NASA Technical Reports Server (NTRS)
Artal, P.; Avalos-Borja, M.; Soria, F.; Poppa, H.; Heinemann, K.
1989-01-01
The high-resolution TEM detectability of lattice fringes from metal particles supported on substrates is impeded by the substrate itself. Single value decomposition (SVD) and Fourier filtering (FFT) methods were applied to standard high resolution micrographs to enhance lattice resolution from particles as well as from crystalline substrates. SVD produced good results for one direction of fringes, and it can be implemented as a real-time process. Fourier methods are independent of azimuthal directions and allow separation of particle lattice planes from those pertaining to the substrate, which makes it feasible to detect possible substrate distortions produced by the supported particle. This method, on the other hand, is more elaborate, requires more computer time than SVD and is, therefore, less likely to be used in real-time image processing applications.
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Pernice, W H; Payne, F P; Gallagher, D F
2007-09-03
We present a novel numerical scheme for the simulation of the field enhancement by metal nano-particles in the time domain. The algorithm is based on a combination of the finite-difference time-domain method and the pseudo-spectral time-domain method for dispersive materials. The hybrid solver leads to an efficient subgridding algorithm that does not suffer from spurious field spikes as do FDTD schemes. Simulation of the field enhancement by gold particles shows the expected exponential field profile. The enhancement factors are computed for single particles and particle arrays. Due to the geometry conforming mesh the algorithm is stable for long integration times and thus suitable for the simulation of resonance phenomena in coupled nano-particle structures.
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Objective comparison of particle tracking methods
Chenouard, Nicolas; Smal, Ihor; de Chaumont, Fabrice; Maška, Martin; Sbalzarini, Ivo F.; Gong, Yuanhao; Cardinale, Janick; Carthel, Craig; Coraluppi, Stefano; Winter, Mark; Cohen, Andrew R.; Godinez, William J.; Rohr, Karl; Kalaidzidis, Yannis; Liang, Liang; Duncan, James; Shen, Hongying; Xu, Yingke; Magnusson, Klas E. G.; Jaldén, Joakim; Blau, Helen M.; Paul-Gilloteaux, Perrine; Roudot, Philippe; Kervrann, Charles; Waharte, François; Tinevez, Jean-Yves; Shorte, Spencer L.; Willemse, Joost; Celler, Katherine; van Wezel, Gilles P.; Dan, Han-Wei; Tsai, Yuh-Show; de Solórzano, Carlos Ortiz; Olivo-Marin, Jean-Christophe; Meijering, Erik
2014-01-01
Particle tracking is of key importance for quantitative analysis of intracellular dynamic processes from time-lapse microscopy image data. Since manually detecting and following large numbers of individual particles is not feasible, automated computational methods have been developed for these tasks by many groups. Aiming to perform an objective comparison of methods, we gathered the community and organized, for the first time, an open competition, in which participating teams applied their own methods independently to a commonly defined data set including diverse scenarios. Performance was assessed using commonly defined measures. Although no single method performed best across all scenarios, the results revealed clear differences between the various approaches, leading to important practical conclusions for users and developers. PMID:24441936
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NASA Astrophysics Data System (ADS)
Raymond, Samuel J.; Jones, Bruce; Williams, John R.
2018-01-01
A strategy is introduced to allow coupling of the material point method (MPM) and smoothed particle hydrodynamics (SPH) for numerical simulations. This new strategy partitions the domain into SPH and MPM regions, particles carry all state variables and as such no special treatment is required for the transition between regions. The aim of this work is to derive and validate the coupling methodology between MPM and SPH. Such coupling allows for general boundary conditions to be used in an SPH simulation without further augmentation. Additionally, as SPH is a purely particle method, and MPM is a combination of particles and a mesh. This coupling also permits a smooth transition from particle methods to mesh methods, where further coupling to mesh methods could in future provide an effective farfield boundary treatment for the SPH method. The coupling technique is introduced and described alongside a number of simulations in 1D and 2D to validate and contextualize the potential of using these two methods in a single simulation. The strategy shown here is capable of fully coupling the two methods without any complicated algorithms to transform information from one method to another.
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NASA Astrophysics Data System (ADS)
Igarashi, Akito; Tsukamoto, Shinji
2000-02-01
Biological molecular motors drive unidirectional transport and transduce chemical energy to mechanical work. In order to identify this energy conversion which is a common feature of molecular motors, many workers have studied various physical models, which consist of Brownian particles in spatially periodic potentials. Most of the models are, however, based on "single-particle" dynamics and too simple as models for biological motors, especially for actin-myosin motors, which cause muscle contraction. In this paper, particles coupled by elastic strings in an asymmetric periodic potential are considered as a model for the motors. We investigate the dynamics of the model and calculate the efficiency of energy conversion with the use of molecular dynamical method. In particular, we find that the velocity and efficiency of the elastically coupled particles where the natural length of the springs is incommensurable with the period of the periodic potential are larger than those of the corresponding single particle model.
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Kawai, Masaaki; Higuchi, Hideo; Takeda, Motohiro; Kobayashi, Yoshio; Ohuchi, Noriaki
2009-01-01
Introduction Recent anticancer drugs have been made larger to pass selectively through tumor vessels and stay in the interstitium. Understanding drug movement in association with its size at the single-molecule level and estimating the time needed to reach the targeted organ is indispensable for optimizing drug delivery because single cell-targeted therapy is the ongoing paradigm. This report describes the tracking of single solid nanoparticles in tumor xenografts and the estimation of arrival time. Methods Different-sized nanoparticles measuring 20, 40, and 100 nm were injected into the tail vein of the female Balb/c nu/nu mice bearing human breast cancer on their backs. The movements of the nanoparticles were visualized through the dorsal skin-fold chamber with the high-speed confocal microscopy that we manufactured. Results An analysis of the particle trajectories revealed diffusion to be inversely related to the particle size and position in the tumor, whereas the velocity of the directed movement was related to the position. The difference in the velocity was the greatest for 40-nm particles in the perivascular to the intercellular region: difference = 5.8 nm/s. The arrival time of individual nanoparticles at tumor cells was simulated. The estimated times for the 20-, 40-, and 100-nm particles to reach the tumor cells were 158.0, 218.5, and 389.4 minutes, respectively, after extravasation. Conclusions This result suggests that the particle size can be individually designed for each goal. These data and methods are also important for understanding drug pharmacokinetics. Although this method may be subject to interference by surface molecules attached on the particles, it has the potential to elucidate the pharmacokinetics involved in constructing novel drug-delivery systems involving cell-targeted therapy. PMID:19575785
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Ahn, Kang-Ho; Kim, Sun-Man; Jung, Hae-Jin; Lee, Mi-Jung; Eom, Hyo-Jin; Maskey, Shila; Ro, Chul-Un
2010-10-01
In this work, an analytical method for the characterization of the hygroscopic property, chemical composition, and morphology of individual aerosol particles is introduced. The method, which is based on the combined use of optical and electron microscopic techniques, is simple and easy to apply. An optical microscopic technique was used to perform the visual observation of the phase transformation and hygroscopic growth of aerosol particles on a single particle level. A quantitative energy-dispersive electron probe X-ray microanalysis, named low-Z particle EPMA, was used to perform a quantitative chemical speciation of the same individual particles after the measurement of the hygroscopic property. To validate the analytical methodology, the hygroscopic properties of artificially generated NaCl, KCl, (NH(4))(2)SO(4), and Na(2)SO(4) aerosol particles of micrometer size were investigated. The practical applicability of the analytical method for studying the hygroscopic property, chemical composition, and morphology of ambient aerosol particles is demonstrated.
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Single scattering from nonspherical Chebyshev particles: A compendium of calculations
NASA Technical Reports Server (NTRS)
Wiscombe, W. J.; Mugnai, A.
1986-01-01
A large set of exact calculations of the scattering from a class of nonspherical particles known as Chebyshev particles' has been performed. Phase function and degree of polarization in random orientation, and parallel and perpendicular intensities in fixed orientations, are plotted for a variety of particles shapes and sizes. The intention is to furnish a data base against which both experimental data, and the predictions of approximate methods, can be tested. The calculations are performed with the widely-used Extended Boundary Condition Method. An extensive discussion of this method is given, including much material that is not easily available elsewhere (especially the analysis of its convergence properties). An extensive review is also given of all extant methods for nonspherical scattering calculations, as well as of the available pool of experimental data.
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Measuring masses of single bacterial whole cells with a quadrupole ion trap.
Peng, Wen-Ping; Yang, Yi-Chang; Kang, Ming-Wei; Lee, Yuan T; Chang, Huan-Cheng
2004-09-29
A novel method has been developed to precisely measure the masses of single bacterial whole cells using a quadrupole ion trap as an electrodynamic balance. The bacterial cells were introduced into the ion trap by matrix-assisted laser desorption/ionization, confined in space by audio frequency ac fields, and detected by elastic light scattering. Mass measurement accuracy approaching 0.1% was achieved for Escherichia coli K-12 with a mass distribution of +/-3% from 60 repetitive measurements of the particles and their clusters. This is the first high-precision mass measurement reported for any intact microorganisms with masses greater than 1 x 1010 Da. The method opens new avenues for high-precision mass measurement of single microbial particles and offers an alternative approach for rapid identification of microorganisms by mass spectrometry.
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Point-particle method to compute diffusion-limited cellular uptake.
Sozza, A; Piazza, F; Cencini, M; De Lillo, F; Boffetta, G
2018-02-01
We present an efficient point-particle approach to simulate reaction-diffusion processes of spherical absorbing particles in the diffusion-limited regime, as simple models of cellular uptake. The exact solution for a single absorber is used to calibrate the method, linking the numerical parameters to the physical particle radius and uptake rate. We study the configurations of multiple absorbers of increasing complexity to examine the performance of the method by comparing our simulations with available exact analytical or numerical results. We demonstrate the potential of the method to resolve the complex diffusive interactions, here quantified by the Sherwood number, measuring the uptake rate in terms of that of isolated absorbers. We implement the method in a pseudospectral solver that can be generalized to include fluid motion and fluid-particle interactions. As a test case of the presence of a flow, we consider the uptake rate by a particle in a linear shear flow. Overall, our method represents a powerful and flexible computational tool that can be employed to investigate many complex situations in biology, chemistry, and related sciences.
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A new approach in the derivation of relativistic variation of mass with speed
NASA Astrophysics Data System (ADS)
Dikshit, Biswaranjan
2015-05-01
The expression for relativistic variation of mass with speed has been derived in the literature in the following ways: by considering the principles of electrodynamics; by considering elastic collision between two identical particles in which momentum and energy are conserved; or by more advanced methods such as the Lagrangian approach. However, in this paper, the same expression is derived simply by applying the law of conservation of momentum to the motion of a single particle that is subjected to a force (which may be non-electromagnetic) at some point in its trajectory. The advantage of this method is that, in addition to being simple, we can observe how the mass is increased from rest mass to relativistic mass when the speed is changed from 0 to a value of v, as only a single particle is involved in the analysis. This is in contrast to the two particles considered in most text books, in which one represents rest mass and the other represents relativistic mass.
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Partial molar enthalpies and reaction enthalpies from equilibrium molecular dynamics simulation
DOE Office of Scientific and Technical Information (OSTI.GOV)
Schnell, Sondre K.; Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California 94720; Department of Chemistry, Faculty of Natural Science and Technology, Norwegian University of Science and Technology, 4791 Trondheim
2014-10-14
We present a new molecular simulation technique for determining partial molar enthalpies in mixtures of gases and liquids from single simulations, without relying on particle insertions, deletions, or identity changes. The method can also be applied to systems with chemical reactions. We demonstrate our method for binary mixtures of Weeks-Chandler-Anderson particles by comparing with conventional simulation techniques, as well as for a simple model that mimics a chemical reaction. The method considers small subsystems inside a large reservoir (i.e., the simulation box), and uses the construction of Hill to compute properties in the thermodynamic limit from small-scale fluctuations. Results obtainedmore » with the new method are in excellent agreement with those from previous methods. Especially for modeling chemical reactions, our method can be a valuable tool for determining reaction enthalpies directly from a single MD simulation.« less
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Rengasamy, Samy; Miller, Adam; Eimer, Benjamin C
2011-01-01
N95 particulate filtering facepiece respirators are certified by measuring penetration levels photometrically with a presumed severe case test method using charge neutralized NaCl aerosols at 85 L/min. However, penetration values obtained by photometric methods have not been compared with count-based methods using contemporary respirators composed of electrostatic filter media and challenged with both generated and ambient aerosols. To better understand the effects of key test parameters (e.g., particle charge, detection method), initial penetration levels for five N95 model filtering facepiece respirators were measured using NaCl aerosols with the aerosol challenge and test equipment employed in the NIOSH respirator certification method (photometric) and compared with an ultrafine condensation particle counter method (count based) for the same NaCl aerosols as well as for ambient room air particles. Penetrations using the NIOSH test method were several-fold less than the penetrations obtained by the ultrafine condensation particle counter for NaCl aerosols as well as for room particles indicating that penetration measurement based on particle counting offers a more difficult challenge than the photometric method, which lacks sensitivity for particles < 100 nm. All five N95 models showed the most penetrating particle size around 50 nm for room air particles with or without charge neutralization, and at 200 nm for singly charged NaCl monodisperse particles. Room air with fewer charged particles and an overwhelming number of neutral particles contributed to the most penetrating particle size in the 50 nm range, indicating that the charge state for the majority of test particles determines the MPPS. Data suggest that the NIOSH respirator certification protocol employing the photometric method may not be a more challenging aerosol test method. Filter penetrations can vary among workplaces with different particle size distributions, which suggests the need for the development of new or revised "more challenging" aerosol test methods for NIOSH certification of respirators.
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Zhang, Yu; Lei, Jiaojie; Zhang, Yaxun; Liu, Zhihai; Zhang, Jianzhong; Yang, Xinghua; Yang, Jun; Yuan, Libo
2017-10-30
The ability to arrange cells and/or microparticles into the desired pattern is critical in biological, chemical, and metamaterial studies and other applications. Researchers have developed a variety of patterning techniques, which either have a limited capacity to simultaneously trap massive particles or lack the spatial resolution necessary to manipulate individual particle. Several approaches have been proposed that combine both high spatial selectivity and high throughput simultaneously. However, those methods are complex and difficult to fabricate. In this article, we propose and demonstrate a simple method that combines the laser-induced convection flow and fiber-based optical trapping methods to perform both regular and special spatial shaping arrangement. Essentially, we combine a light field with a large optical intensity gradient distribution and a thermal field with a large temperature gradient distribution to perform the microparticles shaping arrangement. The tapered-fiber-based laser-induced convection flow provides not only the batch manipulation of massive particles, but also the finer manipulation of special one or several particles, which break out the limit of single-fiber-based massive/individual particles photothermal manipulation. The combination technique allows for microparticles quick accumulation, single-layer and multilayer arrangement; special spatial shaping arrangement/adjustment, and microparticles sorting.
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Charging and discharging of single colloidal particles at oil/water interfaces
Gao, Peng; Xing, XiaoChen; Li, Ye; Ngai, To; Jin, Fan
2014-01-01
The physical behavior of solid colloids trapped at a fluid-fluid interface remains in itself an open fundamental issue. Here, we show that the gradients of surface tension can induce particles to jet towards the oil/water interface with velocities as high as ≈ 60 mm/s when particle suspensions come in contact with the interface. We hypothesize that rubbing between the particles and oil lead to the spontaneous accumulation of negative charges on the hemisphere of those interfacial particles that contact the oil phase by means of triboelectrification. The charging process is highly dependent on the sliding distances, and gives rise to long-ranged repulsions that protect interfacial particles from coagulating at the interface by the presence of electrolyte. These triboelectric charges, however, are compensated within several hours, which affect the stability of interfacial particles. Importantly, by charging different kinds of colloidal particles using various spreading solvents and dispersion methods, we have demonstrated that charging and discharging of single colloidal particles at oil/water interfaces impacts a broad range of dynamical behavior. PMID:24786477
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Single Aerosol Particle Studies Using Optical Trapping Raman And Cavity Ringdown Spectroscopy
NASA Astrophysics Data System (ADS)
Gong, Z.; Wang, C.; Pan, Y. L.; Videen, G.
2017-12-01
Due to the physical and chemical complexity of aerosol particles and the interdisciplinary nature of aerosol science that involves physics, chemistry, and biology, our knowledge of aerosol particles is rather incomplete; our current understanding of aerosol particles is limited by averaged (over size, composition, shape, and orientation) and/or ensemble (over time, size, and multi-particles) measurements. Physically, single aerosol particles are the fundamental units of any large aerosol ensembles. Chemically, single aerosol particles carry individual chemical components (properties and constituents) in particle ensemble processes. Therefore, the study of single aerosol particles can bridge the gap between aerosol ensembles and bulk/surface properties and provide a hierarchical progression from a simple benchmark single-component system to a mixed-phase multicomponent system. A single aerosol particle can be an effective reactor to study heterogeneous surface chemistry in multiple phases. Latest technological advances provide exciting new opportunities to study single aerosol particles and to further develop single aerosol particle instrumentation. We present updates on our recent studies of single aerosol particles optically trapped in air using the optical-trapping Raman and cavity ringdown spectroscopy.
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Probing nuclear effects using single-transverse kinematic imbalance with MINERvA
DOE Office of Scientific and Technical Information (OSTI.GOV)
Lu, X. -G.; Betancourt, M.
2016-08-15
Kinematic imbalance of the final-state particles in the plane transverse to the neutrino direction provides a sensitive probe of nuclear effects. In this contribution, we report the MINERvA measurement of the single-transverse kinematic imbalance in neutrino charged-current quasielastic-like events on CH targets. To improve the momentum measurements of the final-state particles, we develop a method to select elastically scattering contained (ESC) protons and a general procedure to correct the transverse momentum scales.
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A parallel direct-forcing fictitious domain method for simulating microswimmers
NASA Astrophysics Data System (ADS)
Gao, Tong; Lin, Zhaowu
2017-11-01
We present a 3D parallel direct-forcing fictitious domain method for simulating swimming micro-organisms at small Reynolds numbers. We treat the motile micro-swimmers as spherical rigid particles using the ``Squirmer'' model. The particle dynamics are solved on the moving Larangian meshes that overlay upon a fixed Eulerian mesh for solving the fluid motion, and the momentum exchange between the two phases is resolved by distributing pseudo body-forces over the particle interior regions which constrain the background fictitious fluids to follow the particle movement. While the solid and fluid subproblems are solved separately, no inner-iterations are required to enforce numerical convergence. We demonstrate the accuracy and robustness of the method by comparing our results with the existing analytical and numerical studies for various cases of single particle dynamics and particle-particle interactions. We also perform a series of numerical explorations to obtain statistical and rheological measurements to characterize the dynamics and structures of Squirmer suspensions. NSF DMS 1619960.
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Li, Xuanxuan; Spence, John C. H.; Hogue, Brenda G.; ...
2017-09-22
X-ray free-electron lasers (XFELs) provide new opportunities for structure determination of biomolecules, viruses and nanomaterials. With unprecedented peak brilliance and ultra-short pulse duration, XFELs can tolerate higher X-ray doses by exploiting the femtosecond-scale exposure time, and can thus go beyond the resolution limits achieved with conventional X-ray diffraction imaging techniques. Using XFELs, it is possible to collect scattering information from single particles at high resolution, however particle heterogeneity and unknown orientations complicate data merging in three-dimensional space. Using the Linac Coherent Light Source (LCLS), synthetic inorganic nanocrystals with a core–shell architecture were used as a model system for proof-of-principle coherentmore » diffractive single-particle imaging experiments. To deal with the heterogeneity of the core–shell particles, new computational methods have been developed to extract the particle size and orientation from the scattering data to assist data merging. The size distribution agrees with that obtained by electron microscopy and the merged data support a model with a core–shell architecture.« less
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Li, Xuanxuan; Spence, John C. H.; Hogue, Brenda G.
X-ray free-electron lasers (XFELs) provide new opportunities for structure determination of biomolecules, viruses and nanomaterials. With unprecedented peak brilliance and ultra-short pulse duration, XFELs can tolerate higher X-ray doses by exploiting the femtosecond-scale exposure time, and can thus go beyond the resolution limits achieved with conventional X-ray diffraction imaging techniques. Using XFELs, it is possible to collect scattering information from single particles at high resolution, however particle heterogeneity and unknown orientations complicate data merging in three-dimensional space. Using the Linac Coherent Light Source (LCLS), synthetic inorganic nanocrystals with a core–shell architecture were used as a model system for proof-of-principle coherentmore » diffractive single-particle imaging experiments. To deal with the heterogeneity of the core–shell particles, new computational methods have been developed to extract the particle size and orientation from the scattering data to assist data merging. The size distribution agrees with that obtained by electron microscopy and the merged data support a model with a core–shell architecture.« less
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Improved estimation of anomalous diffusion exponents in single-particle tracking experiments
NASA Astrophysics Data System (ADS)
Kepten, Eldad; Bronshtein, Irena; Garini, Yuval
2013-05-01
The mean square displacement is a central tool in the analysis of single-particle tracking experiments, shedding light on various biophysical phenomena. Frequently, parameters are extracted by performing time averages on single-particle trajectories followed by ensemble averaging. This procedure, however, suffers from two systematic errors when applied to particles that perform anomalous diffusion. The first is significant at short-time lags and is induced by measurement errors. The second arises from the natural heterogeneity in biophysical systems. We show how to estimate and correct these two errors and improve the estimation of the anomalous parameters for the whole particle distribution. As a consequence, we manage to characterize ensembles of heterogeneous particles even for rather short and noisy measurements where regular time-averaged mean square displacement analysis fails. We apply this method to both simulations and in vivo measurements of telomere diffusion in 3T3 mouse embryonic fibroblast cells. The motion of telomeres is found to be subdiffusive with an average exponent constant in time. Individual telomere exponents are normally distributed around the average exponent. The proposed methodology has the potential to improve experimental accuracy while maintaining lower experimental costs and complexity.
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Simulation of hydrodynamically interacting particles near a no-slip boundary
NASA Astrophysics Data System (ADS)
Swan, James W.; Brady, John F.
2007-11-01
The dynamics of spherical particles near a single plane wall are computed using an extension of the Stokesian dynamics method that includes long-range many-body and pairwise lubrication interactions between the spheres and the wall in Stokes flow. Extra care is taken to ensure that the mobility and resistance tensors are symmetric, positive, and definite—something which is ineluctable for particles in low-Reynolds-number flows. We discuss why two previous simulation methods for particles near a plane wall, one using multipole expansions and the other using the Rotne-Prager tensor, fail to produce symmetric resistance and mobility tensors. Additionally, we offer some insight on how the Stokesian dynamics paradigm might be extended to study the dynamics of particles in any confining geometry.
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NASA Astrophysics Data System (ADS)
Sellers, Michael; Lisal, Martin; Schweigert, Igor; Larentzos, James; Brennan, John
2015-06-01
In discrete particle simulations, when an atomistic model is coarse-grained, a trade-off is made: a boost in computational speed for a reduction in accuracy. Dissipative Particle Dynamics (DPD) methods help to recover accuracy in viscous and thermal properties, while giving back a small amount of computational speed. One of the most notable extensions of DPD has been the introduction of chemical reactivity, called DPD-RX. Today, pairing the current evolution of DPD-RX with a coarse-grained potential and its chemical decomposition reactions allows for the simulation of the shock behavior of energetic materials at a timescale faster than an atomistic counterpart. In 2007, Maillet et al. introduced implicit chemical reactivity in DPD through the concept of particle reactors and simulated the decomposition of liquid nitromethane. We have recently extended the DPD-RX method and have applied it to solid hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) under shock conditions using a recently developed single-site coarse-grain model and a reduced RDX decomposition mechanism. A description of the methods used to simulate RDX and its tranition to hot product gases within DPD-RX will be presented. Additionally, examples of the effect of microstructure on shock behavior will be shown. Approved for public release. Distribution is unlimited.
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NASA Astrophysics Data System (ADS)
Loisel, Vincent; Abbas, Micheline; Masbernat, Olivier; Climent, Eric
2013-12-01
The presence of finite-size particles in a channel flow close to the laminar-turbulent transition is simulated with the Force Coupling Method which allows two-way coupling with the flow dynamics. Spherical particles with channel height-to-particle diameter ratio of 16 are initially randomly seeded in a fluctuating flow above the critical Reynolds number corresponding to single phase flow relaminarization. When steady-state is reached, the particle volume fraction is homogeneously distributed in the channel cross-section (ϕ ≅ 5%) except in the near-wall region where it is larger due to inertia-driven migration. Turbulence statistics (intensity of velocity fluctuations, small-scale vortical structures, wall shear stress) calculated in the fully coupled two-phase flow simulations are compared to single-phase flow data in the transition regime. It is observed that particles increase the transverse r.m.s. flow velocity fluctuations and they break down the flow coherent structures into smaller, more numerous and sustained eddies, preventing the flow to relaminarize at the single-phase critical Reynolds number. When the Reynolds number is further decreased and the suspension flow becomes laminar, the wall friction coefficient recovers the evolution of the laminar single-phase law provided that the suspension viscosity is used in the Reynolds number definition. The residual velocity fluctuations in the suspension correspond to a regime of particulate shear-induced agitation.
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Evolution of the concentration PDF in random environments modeled by global random walk
NASA Astrophysics Data System (ADS)
Suciu, Nicolae; Vamos, Calin; Attinger, Sabine; Knabner, Peter
2013-04-01
The evolution of the probability density function (PDF) of concentrations of chemical species transported in random environments is often modeled by ensembles of notional particles. The particles move in physical space along stochastic-Lagrangian trajectories governed by Ito equations, with drift coefficients given by the local values of the resolved velocity field and diffusion coefficients obtained by stochastic or space-filtering upscaling procedures. A general model for the sub-grid mixing also can be formulated as a system of Ito equations solving for trajectories in the composition space. The PDF is finally estimated by the number of particles in space-concentration control volumes. In spite of their efficiency, Lagrangian approaches suffer from two severe limitations. Since the particle trajectories are constructed sequentially, the demanded computing resources increase linearly with the number of particles. Moreover, the need to gather particles at the center of computational cells to perform the mixing step and to estimate statistical parameters, as well as the interpolation of various terms to particle positions, inevitably produce numerical diffusion in either particle-mesh or grid-free particle methods. To overcome these limitations, we introduce a global random walk method to solve the system of Ito equations in physical and composition spaces, which models the evolution of the random concentration's PDF. The algorithm consists of a superposition on a regular lattice of many weak Euler schemes for the set of Ito equations. Since all particles starting from a site of the space-concentration lattice are spread in a single numerical procedure, one obtains PDF estimates at the lattice sites at computational costs comparable with those for solving the system of Ito equations associated to a single particle. The new method avoids the limitations concerning the number of particles in Lagrangian approaches, completely removes the numerical diffusion, and speeds up the computation by orders of magnitude. The approach is illustrated for the transport of passive scalars in heterogeneous aquifers, with hydraulic conductivity modeled as a random field.
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Perdana, Jimmy; Bereschenko, Ludmila; Roghair, Mark; Fox, Martijn B; Boom, Remko M; Kleerebezem, Michiel; Schutyser, Maarten A I
2012-11-01
Survival of probiotic bacteria during drying is not trivial. Survival percentages are very specific for each probiotic strain and can be improved by careful selection of drying conditions and proper drying carrier formulation. An experimental approach is presented, comprising a single-droplet drying method and a subsequent novel screening methodology, to assess the microbial viability within single particles. The drying method involves the drying of a single droplet deposited on a flat, hydrophobic surface under well-defined drying conditions and carrier formulations. Semidried or dried particles were subjected to rehydration, fluorescence staining, and live/dead enumeration using fluorescence microscopy. The novel screening methodology provided accurate survival percentages in line with conventional plating enumeration and was evaluated in single-droplet drying experiments with Lactobacillus plantarum WCFS1 as a model probiotic strain. Parameters such as bulk air temperatures and the carrier matrices (glucose, trehalose, and maltodextrin DE 6) were varied. Following the experimental approach, the influence on the viability as a function of the drying history could be monitored. Finally, the applicability of the novel viability assessment was demonstrated for samples obtained from drying experiments at a larger scale.
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Perdana, Jimmy; Bereschenko, Ludmila; Roghair, Mark; Fox, Martijn B.; Boom, Remko M.; Kleerebezem, Michiel
2012-01-01
Survival of probiotic bacteria during drying is not trivial. Survival percentages are very specific for each probiotic strain and can be improved by careful selection of drying conditions and proper drying carrier formulation. An experimental approach is presented, comprising a single-droplet drying method and a subsequent novel screening methodology, to assess the microbial viability within single particles. The drying method involves the drying of a single droplet deposited on a flat, hydrophobic surface under well-defined drying conditions and carrier formulations. Semidried or dried particles were subjected to rehydration, fluorescence staining, and live/dead enumeration using fluorescence microscopy. The novel screening methodology provided accurate survival percentages in line with conventional plating enumeration and was evaluated in single-droplet drying experiments with Lactobacillus plantarum WCFS1 as a model probiotic strain. Parameters such as bulk air temperatures and the carrier matrices (glucose, trehalose, and maltodextrin DE 6) were varied. Following the experimental approach, the influence on the viability as a function of the drying history could be monitored. Finally, the applicability of the novel viability assessment was demonstrated for samples obtained from drying experiments at a larger scale. PMID:22983965
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He, M; Taussig, M J
1997-01-01
We describe a rapid, eukaryotic, in vitro method for selection and evolution of antibody combining sites using antibody-ribosome-mRNA (ARM) complexes as selection particles. ARMs carrying single-chain (VH/K) binding fragments specific for progesterone were selected using antigen-coupled magnetic beads; selection simultaneously captured the genetic information as mRNA, making it possible to generate and amplify cDNA by single-step RT-PCR on the ribosome-bound mRNA for further manipulation. Using mutant libraries, antigen-binding ARMs were enriched by a factor of 10(4)-10(5)-fold in a single cycle, with further enrichment in repeated cycles. While demonstrated here for antibodies, the method has the potential to be applied equally for selection of receptors or peptides from libraries. PMID:9396828
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He, M; Taussig, M J
1997-12-15
We describe a rapid, eukaryotic, in vitro method for selection and evolution of antibody combining sites using antibody-ribosome-mRNA (ARM) complexes as selection particles. ARMs carrying single-chain (VH/K) binding fragments specific for progesterone were selected using antigen-coupled magnetic beads; selection simultaneously captured the genetic information as mRNA, making it possible to generate and amplify cDNA by single-step RT-PCR on the ribosome-bound mRNA for further manipulation. Using mutant libraries, antigen-binding ARMs were enriched by a factor of 10(4)-10(5)-fold in a single cycle, with further enrichment in repeated cycles. While demonstrated here for antibodies, the method has the potential to be applied equally for selection of receptors or peptides from libraries.
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Numerical evaluation of a single ellipsoid motion in Newtonian and power-law fluids
NASA Astrophysics Data System (ADS)
Férec, Julien; Ausias, Gilles; Natale, Giovanniantonio
2018-05-01
A computational model is developed for simulating the motion of a single ellipsoid suspended in a Newtonian and power-law fluid, respectively. Based on a finite element method (FEM), the approach consists in seeking solutions for the linear and angular particle velocities using a minimization algorithm, such that the net hydrodynamic force and torque acting on the ellipsoid are zero. For a Newtonian fluid subjected to a simple shear flow, the Jeffery's predictions are recovered at any aspect ratios. The motion of a single ellipsoidal fiber is found to be slightly disturbed by the shear-thinning character of the suspending fluid, when compared with the Jeffery's solutions. Surprisingly, the perturbation can be completely neglected for a particle with a large aspect ratio. Furthermore, the particle centroid is also found to translate with the same linear velocity as the undisturbed simple shear flow evaluated at particle centroid. This is confirmed by recent works based on experimental investigations and modeling approach (1-2).
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In-line three-dimensional holography of nanocrystalline objects at atomic resolution
Chen, F.-R.; Van Dyck, D.; Kisielowski, C.
2016-01-01
Resolution and sensitivity of the latest generation aberration-corrected transmission electron microscopes allow the vast majority of single atoms to be imaged with sub-Ångstrom resolution and their locations determined in an image plane with a precision that exceeds the 1.9-pm wavelength of 300 kV electrons. Such unprecedented performance allows expansion of electron microscopic investigations with atomic resolution into the third dimension. Here we report a general tomographic method to recover the three-dimensional shape of a crystalline particle from high-resolution images of a single projection without the need for sample rotation. The method is compatible with low dose rate electron microscopy, which improves on signal quality, while minimizing electron beam-induced structure modifications even for small particles or surfaces. We apply it to germanium, gold and magnesium oxide particles, and achieve a depth resolution of 1–2 Å, which is smaller than inter-atomic distances. PMID:26887849
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Towards a self-consistent dynamical nuclear model
NASA Astrophysics Data System (ADS)
Roca-Maza, X.; Niu, Y. F.; Colò, G.; Bortignon, P. F.
2017-04-01
Density functional theory (DFT) is a powerful and accurate tool, exploited in nuclear physics to investigate the ground-state and some of the collective properties of nuclei along the whole nuclear chart. Models based on DFT are not, however, suitable for the description of single-particle dynamics in nuclei. Following the field theoretical approach by A Bohr and B R Mottelson to describe nuclear interactions between single-particle and vibrational degrees of freedom, we have taken important steps towards the building of a microscopic dynamic nuclear model. In connection with this, one important issue that needs to be better understood is the renormalization of the effective interaction in the particle-vibration approach. One possible way to renormalize the interaction is by the so-called subtraction method. In this contribution, we will implement the subtraction method in our model for the first time and study its consequences.
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Variable Threshold Method for Determining the Boundaries of Imaged Subvisible Particles.
Cavicchi, Richard E; Collett, Cayla; Telikepalli, Srivalli; Hu, Zhishang; Carrier, Michael; Ripple, Dean C
2017-06-01
An accurate assessment of particle characteristics and concentrations in pharmaceutical products by flow imaging requires accurate particle sizing and morphological analysis. Analysis of images begins with the definition of particle boundaries. Commonly a single threshold defines the level for a pixel in the image to be included in the detection of particles, but depending on the threshold level, this results in either missing translucent particles or oversizing of less transparent particles due to the halos and gradients in intensity near the particle boundaries. We have developed an imaging analysis algorithm that sets the threshold for a particle based on the maximum gray value of the particle. We show that this results in tighter boundaries for particles with high contrast, while conserving the number of highly translucent particles detected. The method is implemented as a plugin for FIJI, an open-source image analysis software. The method is tested for calibration beads in water and glycerol/water solutions, a suspension of microfabricated rods, and stir-stressed aggregates made from IgG. The result is that appropriate thresholds are automatically set for solutions with a range of particle properties, and that improved boundaries will allow for more accurate sizing results and potentially improved particle classification studies. Published by Elsevier Inc.
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Continuous Changes in Structure Mapped by Manifold Embedding of Single-Particle Data in Cryo-EM
Fran, Joachim; Ourmazd, Abbas
2016-01-01
Cryo-electron microscopy, when combined with single-particle reconstruction, is a powerful method for studying macromolecular structure. Recent developments in detector technology have pushed the resolution into a range comparable to that of X-ray crystallography. However, cryo-EM is able to separate and thus recover the structure of each of several discrete structures present in the sample. For the more general case involving continuous structural changes, a novel technique employing manifold embedding has been recently demonstrated. Potentially, the entire work-cycle of a molecular machine may be observed as it passes through a continuum of states, and its free-energy landscape may be mapped out. This technique will be outlined and discussed in the context of its application to a large single-particle dataset of yeast ribosomes. PMID:26884261
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NASA Astrophysics Data System (ADS)
Joshi, Rutambhara; Liu, Dantong; Allan, James; Coe, Hugh; Flynn, Michael; Broda, Kurtis; Olfert, Jason; Irwin, Martin; Sun, Yele; Fu, Pingqing; Wang, Junfeng; Ge, Xinlei; Langford, Ben; Nemitz, Eiko; Mullinger, Neil
2017-04-01
BC is generated by the incomplete combustion of carbonaceous fuels and it is an important component of fine PM2.5. In the atmosphere BC particles have a complex structure and its mixing state has crucial impact on optical properties. Quantifying the sources and emissions of black carbon in urban environments is important and presently uncertain, particularly in megacities undergoing rapid growth and change in emissions. During the winter of 2016 (10th Nov-10th Dec) the BC was characterised as part of a large joint UK-China field experiment in Beijing. This paper focuses on understanding the mixing state of BC as well as identification and quantification of BC sources. We used a combination of a Centrifugal Particle Mass Analyser (CPMA) and a Single Particle Soot Photometer (SP2) to uniquely quantify the morphology independent mass of single refractory BC particles and their coating content. The CPMA allows us to select pre-charged aerosol particles according to their mass to charge ratio and the SP2 provides information on the mass of refractory BC through a laser-induced incandescence method. Furthermore, another SP2 was used to measure the BC flux at 100m height using the Eddy Covariance method. We have successfully gathered 4 weeks of continuous measurements which include several severe pollution events in Beijing. Here we present preliminary results, characterising the distribution of coating mass on BC particles in Beijing and linking this to the main sources of BC in the city. We will provide initial estimates of the BC flux over a several kilometre footprint. Such analysis will provide important information for the further investigation of source distribution, emission, lifetime and optical properties of BC under complex environments in Beijing.
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Behaviors of ellipsoidal micro-particles within a two-beam optical levitator
NASA Astrophysics Data System (ADS)
Petkov, T.; Yang, M.; Ren, K. F.; Pouligny, B.; Loudet, J.-C.
2017-07-01
The two-beam levitator (TBL) is a standard optical setup made of a couple of counter-propagating beams. Note worthily, TBLs allow the manipulation and trapping of particles at long working distances. While much experience has been accumulated in the trapping of single spherical particles in TBLs, the behaviors of asymmetrical particles turn out to be more complex, and even surprising. Here, we report observations with prolate ellipsoidal polystyrene particles, with varying aspect ratio and ratio of the two beam powers. Generalizing the earlier work by Mihiretie et al. in single beam geometries [JQSRT 126, 61 (2013)], we observe that particles may be either static, or permanently oscillating, and that the two-beam geometry produces new particle responses: some of them are static, but non-symmetrical, while others correspond to new types of oscillations. A two-dimensional model based on ray-optics qualitatively accounts for these configurations and for the "primary" oscillations of the particles. Furthermore, levitation powers measured in the experiments are in fair agreement with those computed from GLMT (Generalized Lorentz Mie Theory), MLFMA (Multilevel Fast Multipole Algorithm) and approximate ray-optics methods.
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Zhou, Yilong; Kumar, Dhileep Thanjavur; Lu, Xinyu; Kale, Akshay; DuBose, John; Song, Yongxin; Wang, Junsheng; Li, Dongqing; Xuan, Xiangchun
2015-01-01
Trapping and preconcentrating particles and cells for enhanced detection and analysis are often essential in many chemical and biological applications. Existing methods for diamagnetic particle trapping require the placement of one or multiple pairs of magnets nearby the particle flowing channel. The strong attractive or repulsive force between the magnets makes it difficult to align and place them close enough to the channel, which not only complicates the device fabrication but also restricts the particle trapping performance. This work demonstrates for the first time the use of a single permanent magnet to simultaneously trap diamagnetic and magnetic particles in ferrofluid flows through a T-shaped microchannel. The two types of particles are preconcentrated to distinct locations of the T-junction due to the induced negative and positive magnetophoretic motions, respectively. Moreover, they can be sequentially released from their respective trapping spots by simply increasing the ferrofluid flow rate. In addition, a three-dimensional numerical model is developed, which predicts with a reasonable agreement the trajectories of diamagnetic and magnetic particles as well as the buildup of ferrofluid nanoparticles. PMID:26221197
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Zhou, Yilong; Kumar, Dhileep Thanjavur; Lu, Xinyu; Kale, Akshay; DuBose, John; Song, Yongxin; Wang, Junsheng; Li, Dongqing; Xuan, Xiangchun
2015-07-01
Trapping and preconcentrating particles and cells for enhanced detection and analysis are often essential in many chemical and biological applications. Existing methods for diamagnetic particle trapping require the placement of one or multiple pairs of magnets nearby the particle flowing channel. The strong attractive or repulsive force between the magnets makes it difficult to align and place them close enough to the channel, which not only complicates the device fabrication but also restricts the particle trapping performance. This work demonstrates for the first time the use of a single permanent magnet to simultaneously trap diamagnetic and magnetic particles in ferrofluid flows through a T-shaped microchannel. The two types of particles are preconcentrated to distinct locations of the T-junction due to the induced negative and positive magnetophoretic motions, respectively. Moreover, they can be sequentially released from their respective trapping spots by simply increasing the ferrofluid flow rate. In addition, a three-dimensional numerical model is developed, which predicts with a reasonable agreement the trajectories of diamagnetic and magnetic particles as well as the buildup of ferrofluid nanoparticles.
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Particle-laden swirling free jets: Measurements and predictions
NASA Technical Reports Server (NTRS)
Bulzan, D. L.; Shuen, J.-S.; Faeth, G. M.
1987-01-01
A theoretical and experimental investigation of single-phase and particle-laden weakly swirling jets was conducted. The jets were injected vertically downward from a 19 mm diameter tube with swirl numbers ranging from 0 to 0.33. The particle-laden jets had a single loading ratio (0.2) with particles having a SMD of 39 microns. Mean and fluctuating properties of both phases were measured using nonintrusive laser based methods while particle mass flux was measured using an isokinetic sampling probe. The continuous phase was analyzed using both a baseline kappa-epsilon turbulence model and an extended version with modifications based on the flux Richardson number to account for effects of streamline curvature. To highlight effects of interphase transport rates and particle/turbulence interactions, effects of the particles were analyzed as follows: (1) locally homogeneous flow (LHF) analysis, where interphase transport rates are assumed to be infinitely fast; (2) deterministic separated flow (DSF) analysis, where finite interphase transport rates are considered but particle/turbulence interactions are ignored; and (3) stochastic separated flow (SSF) analysis, where both effects are considered using random-walk computations.
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NASA Technical Reports Server (NTRS)
Bi, Lei; Yang, Ping; Kattawar, George W.; Mishchenko, Michael I.
2012-01-01
Three terms, ''Waterman's T-matrix method'', ''extended boundary condition method (EBCM)'', and ''null field method'', have been interchangeable in the literature to indicate a method based on surface integral equations to calculate the T-matrix. Unlike the previous method, the invariant imbedding method (IIM) calculates the T-matrix by the use of a volume integral equation. In addition, the standard separation of variables method (SOV) can be applied to compute the T-matrix of a sphere centered at the origin of the coordinate system and having a maximal radius such that the sphere remains inscribed within a nonspherical particle. This study explores the feasibility of a numerical combination of the IIM and the SOV, hereafter referred to as the IIMþSOV method, for computing the single-scattering properties of nonspherical dielectric particles, which are, in general, inhomogeneous. The IIMþSOV method is shown to be capable of solving light-scattering problems for large nonspherical particles where the standard EBCM fails to converge. The IIMþSOV method is flexible and applicable to inhomogeneous particles and aggregated nonspherical particles (overlapped circumscribed spheres) representing a challenge to the standard superposition T-matrix method. The IIMþSOV computational program, developed in this study, is validated against EBCM simulated spheroid and cylinder cases with excellent numerical agreement (up to four decimal places). In addition, solutions for cylinders with large aspect ratios, inhomogeneous particles, and two-particle systems are compared with results from discrete dipole approximation (DDA) computations, and comparisons with the improved geometric-optics method (IGOM) are found to be quite encouraging.
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2015-04-01
monodisperse particles. ENPs in environmental samples will likely have much broader size distributions and thus FFF-ICP-MS was tested over a greater...Figure 6). Resolution is based on ICP-MS sensitivity, and will likely decrease as the difference in particle diameter decreases. Second, this...Alvarez. 2006. Antibacterial activity of fullerene water suspensions: Effects of preparation method and particle size. Environmental Science
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Optical potential from first principles
Rotureau, J.; Danielewicz, P.; Hagen, G.; ...
2017-02-15
Here, we develop a method to construct a microscopic optical potential from chiral interactions for nucleon-nucleus scattering. The optical potential is constructed by combining the Green’s function approach with the coupled-cluster method. To deal with the poles of the Green’s function along the real energy axis we employ a Berggren basis in the complex energy plane combined with the Lanczos method. Using this approach, we perform a proof-of-principle calculation of the optical potential for the elastic neutron scattering on 16O. For the computation of the ground-state of 16O, we use the coupled-cluster method in the singles-and-doubles approximation, while for themore » A ±1 nuclei we use particle-attached/removed equation-of-motion method truncated at two-particle-one-hole and one-particle-two-hole excitations, respectively. We verify the convergence of the optical potential and scattering phase shifts with respect to the model-space size and the number of discretized complex continuum states. We also investigate the absorptive component of the optical potential (which reflects the opening of inelastic channels) by computing its imaginary volume integral and find an almost negligible absorptive component at low-energies. To shed light on this result, we computed excited states of 16O using equation-of-motion coupled-cluster method with singles-and- doubles excitations and we found no low-lying excited states below 10 MeV. Furthermore, most excited states have a dominant two-particle-two-hole component, making higher-order particle-hole excitations necessary to achieve a precise description of these core-excited states. We conclude that the reduced absorption at low-energies can be attributed to the lack of correlations coming from the low-order cluster truncation in the employed coupled-cluster method.« less
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Observation of a single-beam gradient-force optical trap for dielectric particles in air.
Omori, R; Kobayashi, T; Suzuki, A
1997-06-01
A single-beam gradient-force optical trap for dielectric particles, which relies solely on the radiation pressure force of a TEM(00)-mode laser light, is demonstrated in air for what is believed to be the first time. It was observed that micrometer-sized glass spheres with a refractive index of n=1.45 remained trapped in the focus region for more than 30 min, and we could transfer them three dimensionally by moving the beam focus and the microscope stage. A laser power of ~40 mW was sufficient to trap a 5- microm -diameter glass sphere. The present method has several distinct advantages over the conventional optical levitation method.
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Tang, Hao; Hiemstra, Scott; Thompson, Jonathan E
2011-09-19
An approach to sample and analyze single aerosolized droplets (<10 nL) of solutions containing fluorescein isothiocyanate (FITC) labeled glycine (GLY) and glutamic acid (GLU) is demonstrated. The sampling approach is based on inertial impaction in which the sample particle is accelerated through a nozzle and directly into a small drop of buffered solution (20 mM borate, pH=10) suspended at the end of a coaxial tube of stainless steel and a fused silica capillary. A spherical light scattering cell and laser (λ=532 nm) is used to detect the arrival of particles at the buffered droplet. Upon dissolution and/or mixing, a portion of the sample is injected onto the fused silica capillary for subsequent chemical analysis by capillary electrophoresis (CE) and detection by laser-induced fluorescence (LIF). It was found that the inertial impaction approach sampled particles >1 μm diameter with an efficiency of 80% or greater. At 15 kV applied potential, the FITC conjugates of GLY and GLU could be resolved in less than 120 s allowing qualitative analysis of the contents of single dispersed particles. However, the extent to which the sample is diluted into the buffer droplet varied significantly on a per-particle basis that caused >80% R.S.D. in fluorescence peak heights. This aspect of the method would necessitate the use of internal standards for quantitative analysis of materials present within the particles. It is envisaged that further improvements to the device described may ultimately lead to analysis of the contents of single particles dispersed in earth's atmosphere. Copyright © 2011 Elsevier B.V. All rights reserved.
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Simulation of Hypervelocity Impact on Aluminum-Nextel-Kevlar Orbital Debris Shields
NASA Technical Reports Server (NTRS)
Fahrenthold, Eric P.
2000-01-01
An improved hybrid particle-finite element method has been developed for hypervelocity impact simulation. The method combines the general contact-impact capabilities of particle codes with the true Lagrangian kinematics of large strain finite element formulations. Unlike some alternative schemes which couple Lagrangian finite element models with smooth particle hydrodynamics, the present formulation makes no use of slidelines or penalty forces. The method has been implemented in a parallel, three dimensional computer code. Simulations of three dimensional orbital debris impact problems using this parallel hybrid particle-finite element code, show good agreement with experiment and good speedup in parallel computation. The simulations included single and multi-plate shields as well as aluminum and composite shielding materials. at an impact velocity of eleven kilometers per second.
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Semianalytical computation of path lines for finite-difference models
Pollock, D.W.
1988-01-01
A semianalytical particle tracking method was developed for use with velocities generated from block-centered finite-difference ground-water flow models. Based on the assumption that each directional velocity component varies linearly within a grid cell in its own coordinate directions, the method allows an analytical expression to be obtained describing the flow path within an individual grid cell. Given the intitial position of a particle anywhere in a cell, the coordinates of any other point along its path line within the cell, and the time of travel between them, can be computed directly. For steady-state systems, the exit point for a particle entering a cell at any arbitrary location can be computed in a single step. By following the particle as it moves from cell to cell, this method can be used to trace the path of a particle through any multidimensional flow field generated from a block-centered finite-difference flow model. -Author
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PhotoGate microscopy: tracking single molecules in a cytoplasm (Conference Presentation)
NASA Astrophysics Data System (ADS)
Yildiz, Ahmet
2016-02-01
Tracking single molecules inside cells reveals the dynamics of biological processes, including receptor trafficking, signaling and cargo transport. However, individual molecules often cannot be resolved inside cells due to their high density in the cellular environment. We developed a photobleaching gate assay, which controls the number of fluorescent particles in a region of interest by repeatedly photobleaching its boundary. Using this method, we tracked single particles at surface densities two orders of magnitude higher than the single-molecule detection limit. We observed ligand-induced dimerization of epidermal growth factor receptors (EGFR) on a live cell membrane. In addition, we tracked individual intraflagellar transport (IFT) trains along the length of a cilium and observed their remodeling at the ciliary tip.
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NASA Astrophysics Data System (ADS)
Nizamov, Shavkat; Scherbahn, Vitali; Mirsky, Vladimir M.
2017-05-01
Detection of nano- and micro-particles is an important task for chemical analytics, food industry, biotechnology, environmental monitoring and many other fields of science and industry. For this purpose, a method based on the detection and analysis of minute signals in surface plasmon resonance images due to adsorption of single nanopartciles was developed. This new technology allows one a real-time detection of interaction of single nano- and micro-particles with sensor surface. Adsorption of each nanoparticle leads to characteristic diffraction image whose intensity depends on the size and chemical composition of the particle. The adsorption rate characterizes volume concentration of nano- and micro-particles. Large monitored surface area of sensor enables a high dynamic range of counting and to a correspondingly high dynamic range in concentration scale. Depending on the type of particles and experimental conditions, the detection limit for aqueous samples can be below 1000 particles per microliter. For application of method in complex media, nanoparticle images are discriminated from image perturbations due to matrix components. First, the characteristic SPRM images of nanoparticles (templates) are collected in aqueous suspensions or spiked real samples. Then, the detection of nanoparticles in complex media using template matching is performed. The detection of various NPs in consumer products like cosmetics, mineral water, juices, and wines was shown at sub-ppb level. The method can be applied for ultrasensitive detection and analysis of nano- and micro-particles of biological (bacteria, viruses, endosomes), biotechnological (liposomes, protein nanoparticles for drug delivery) or technical origin.
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Selbig, William R.; Bannerman, Roger T.
2011-01-01
The U.S Geological Survey, in cooperation with the Wisconsin Department of Natural Resources (WDNR) and in collaboration with the Root River Municipal Stormwater Permit Group monitored eight urban source areas representing six types of source areas in or near Madison, Wis. in an effort to improve characterization of particle-size distributions in urban stormwater by use of fixed-point sample collection methods. The types of source areas were parking lot, feeder street, collector street, arterial street, rooftop, and mixed use. This information can then be used by environmental managers and engineers when selecting the most appropriate control devices for the removal of solids from urban stormwater. Mixed-use and parking-lot study areas had the lowest median particle sizes (42 and 54 (u or mu)m, respectively), followed by the collector street study area (70 (u or mu)m). Both arterial street and institutional roof study areas had similar median particle sizes of approximately 95 (u or mu)m. Finally, the feeder street study area showed the largest median particle size of nearly 200 (u or mu)m. Median particle sizes measured as part of this study were somewhat comparable to those reported in previous studies from similar source areas. The majority of particle mass in four out of six source areas was silt and clay particles that are less than 32 (u or mu)m in size. Distributions of particles ranging from 500 (u or mu)m were highly variable both within and between source areas. Results of this study suggest substantial variability in data can inhibit the development of a single particle-size distribution that is representative of stormwater runoff generated from a single source area or land use. Continued development of improved sample collection methods, such as the depth-integrated sample arm, may reduce variability in particle-size distributions by mitigating the effect of sediment bias inherent with a fixed-point sampler.
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Evaluation strategies for isotope ratio measurements of single particles by LA-MC-ICPMS.
Kappel, S; Boulyga, S F; Dorta, L; Günther, D; Hattendorf, B; Koffler, D; Laaha, G; Leisch, F; Prohaska, T
2013-03-01
Data evaluation is a crucial step when it comes to the determination of accurate and precise isotope ratios computed from transient signals measured by multi-collector-inductively coupled plasma mass spectrometry (MC-ICPMS) coupled to, for example, laser ablation (LA). In the present study, the applicability of different data evaluation strategies (i.e. 'point-by-point', 'integration' and 'linear regression slope' method) for the computation of (235)U/(238)U isotope ratios measured in single particles by LA-MC-ICPMS was investigated. The analyzed uranium oxide particles (i.e. 9073-01-B, CRM U010 and NUSIMEP-7 test samples), having sizes down to the sub-micrometre range, are certified with respect to their (235)U/(238)U isotopic signature, which enabled evaluation of the applied strategies with respect to precision and accuracy. The different strategies were also compared with respect to their expanded uncertainties. Even though the 'point-by-point' method proved to be superior, the other methods are advantageous, as they take weighted signal intensities into account. For the first time, the use of a 'finite mixture model' is presented for the determination of an unknown number of different U isotopic compositions of single particles present on the same planchet. The model uses an algorithm that determines the number of isotopic signatures by attributing individual data points to computed clusters. The (235)U/(238)U isotope ratios are then determined by means of the slopes of linear regressions estimated for each cluster. The model was successfully applied for the accurate determination of different (235)U/(238)U isotope ratios of particles deposited on the NUSIMEP-7 test samples.
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Evaluating linear response in active systems with no perturbing field
NASA Astrophysics Data System (ADS)
Szamel, Grzegorz
2017-03-01
We present a method for the evaluation of time-dependent linear response functions for systems of active particles propelled by a persistent (colored) noise from unperturbed simulations. The method is inspired by the Malliavin weights sampling method proposed by Warren and Allen (Phys. Rev. Lett., 109 (2012) 250601) for out-of-equilibrium systems of passive Brownian particles. We illustrate our method by evaluating two linear response functions for a single active particle in an external harmonic potential. As an application, we calculate the time-dependent mobility function and an effective temperature, defined through the Einstein relation between the self-diffusion and mobility coefficients, for a system of many active particles interacting via a screened Coulomb potential. We find that this effective temperature decreases with increasing persistence time of the self-propulsion. Initially, for not too large persistence times, it changes rather slowly, but then it decreases markedly when the persistence length of the self-propelled motion becomes comparable with the particle size.
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NASA Astrophysics Data System (ADS)
Szamel, Grzegorz
We present a method for the evaluation of time-dependent linear response functions for systems of active particles propelled by a persistent (colored) noise from unperturbed simulations. The method is inspired by the Malliavin weights sampling method proposed earlier for systems of (passive) Brownian particles. We illustrate our method by evaluating a linear response function for a single active particle in an external harmonic potential. As an application, we calculate the time-dependent mobility function and an effective temperature, defined through the Einstein relation between the self-diffusion and mobility coefficients, for a system of active particles interacting via a screened-Coulomb potential. We find that this effective temperature decreases with increasing persistence time of the self-propulsion. Initially, for not too large persistence times, it changes rather slowly, but then it decreases markedly when the persistence length of the self-propelled motion becomes comparable with the particle size. Supported by NSF and ERC.
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Interaction of Burning Metal Particles
NASA Technical Reports Server (NTRS)
Dreizin, Edward L.; Berman, Charles H.; Hoffmann, Vern K.
1999-01-01
Physical characteristics of the combustion of metal particle groups have been addressed in this research. The combustion behavior and interaction effects of multiple metal particles has been studied using a microgravity environment, which presents a unique opportunity to create an "aerosol" consisting of relatively large particles, i.e., 50-300 micrometer diameter. Combustion behavior of such an aerosol could be examined using methods adopted from well-developed single particle combustion research. The experiment included fluidizing relatively large (order of 100 micrometer diameter) uniform metal particles under microgravity and igniting such an "aerosol" using a hot wire igniter. The flame propagation and details of individual particle combustion and particle interaction have been studied using a high speed movie and video-imaging with cameras coupled with microscope lenses to resolve individual particles. Interference filters were used to separate characteristic metal and metal oxide radiation bands form the thermal black body radiation. Recorded flame images were digitized and employed to understand the processes occurring in the burning aerosol. The development of individual particle flames, merging or separation, and extinguishing as well as induced particle motion have been analyzed to identify the mechanisms governing these processes. Size distribution, morphology, and elemental compositions of combustion products were characterized and used to link the observed in this project aerosol combustion phenomena with the recently expanded mechanism of single metal particle combustion.
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Kawata, Masaaki; Sato, Chikara
2007-06-01
In determining the three-dimensional (3D) structure of macromolecular assemblies in single particle analysis, a large representative dataset of two-dimensional (2D) average images from huge number of raw images is a key for high resolution. Because alignments prior to averaging are computationally intensive, currently available multireference alignment (MRA) software does not survey every possible alignment. This leads to misaligned images, creating blurred averages and reducing the quality of the final 3D reconstruction. We present a new method, in which multireference alignment is harmonized with classification (multireference multiple alignment: MRMA). This method enables a statistical comparison of multiple alignment peaks, reflecting the similarities between each raw image and a set of reference images. Among the selected alignment candidates for each raw image, misaligned images are statistically excluded, based on the principle that aligned raw images of similar projections have a dense distribution around the correctly aligned coordinates in image space. This newly developed method was examined for accuracy and speed using model image sets with various signal-to-noise ratios, and with electron microscope images of the Transient Receptor Potential C3 and the sodium channel. In every data set, the newly developed method outperformed conventional methods in robustness against noise and in speed, creating 2D average images of higher quality. This statistically harmonized alignment-classification combination should greatly improve the quality of single particle analysis.
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Direct uranium isotope ratio analysis of single micrometer-sized glass particles
Kappel, Stefanie; Boulyga, Sergei F.; Prohaska, Thomas
2012-01-01
We present the application of nanosecond laser ablation (LA) coupled to a ‘Nu Plasma HR’ multi collector inductively coupled plasma mass spectrometer (MC-ICP-MS) for the direct analysis of U isotope ratios in single, 10–20 μm-sized, U-doped glass particles. Method development included studies with respect to (1) external correction of the measured U isotope ratios in glass particles, (2) the applied laser ablation carrier gas (i.e. Ar versus He) and (3) the accurate determination of lower abundant 236U/238U isotope ratios (i.e. 10−5). In addition, a data processing procedure was developed for evaluation of transient signals, which is of potential use for routine application of the developed method. We demonstrate that the developed method is reliable and well suited for determining U isotope ratios of individual particles. Analyses of twenty-eight S1 glass particles, measured under optimized conditions, yielded average biases of less than 0.6% from the certified values for 234U/238U and 235U/238U ratios. Experimental results obtained for 236U/238U isotope ratios deviated by less than −2.5% from the certified values. Expanded relative total combined standard uncertainties Uc (k = 2) of 2.6%, 1.4% and 5.8% were calculated for 234U/238U, 235U/238U and 236U/238U, respectively. PMID:22595724
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Direct uranium isotope ratio analysis of single micrometer-sized glass particles.
Kappel, Stefanie; Boulyga, Sergei F; Prohaska, Thomas
2012-11-01
We present the application of nanosecond laser ablation (LA) coupled to a 'Nu Plasma HR' multi collector inductively coupled plasma mass spectrometer (MC-ICP-MS) for the direct analysis of U isotope ratios in single, 10-20 μm-sized, U-doped glass particles. Method development included studies with respect to (1) external correction of the measured U isotope ratios in glass particles, (2) the applied laser ablation carrier gas (i.e. Ar versus He) and (3) the accurate determination of lower abundant (236)U/(238)U isotope ratios (i.e. 10(-5)). In addition, a data processing procedure was developed for evaluation of transient signals, which is of potential use for routine application of the developed method. We demonstrate that the developed method is reliable and well suited for determining U isotope ratios of individual particles. Analyses of twenty-eight S1 glass particles, measured under optimized conditions, yielded average biases of less than 0.6% from the certified values for (234)U/(238)U and (235)U/(238)U ratios. Experimental results obtained for (236)U/(238)U isotope ratios deviated by less than -2.5% from the certified values. Expanded relative total combined standard uncertainties U(c) (k = 2) of 2.6%, 1.4% and 5.8% were calculated for (234)U/(238)U, (235)U/(238)U and (236)U/(238)U, respectively. Copyright © 2012 Elsevier Ltd. All rights reserved.
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Wavelet-based tracking of bacteria in unreconstructed off-axis holograms.
Marin, Zach; Wallace, J Kent; Nadeau, Jay; Khalil, Andre
2018-03-01
We propose an automated wavelet-based method of tracking particles in unreconstructed off-axis holograms to provide rough estimates of the presence of motion and particle trajectories in digital holographic microscopy (DHM) time series. The wavelet transform modulus maxima segmentation method is adapted and tailored to extract Airy-like diffraction disks, which represent bacteria, from DHM time series. In this exploratory analysis, the method shows potential for estimating bacterial tracks in low-particle-density time series, based on a preliminary analysis of both living and dead Serratia marcescens, and for rapidly providing a single-bit answer to whether a sample chamber contains living or dead microbes or is empty. Copyright © 2017 Elsevier Inc. All rights reserved.
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Morphological classification of bioaerosols from composting using scanning electron microscopy
DOE Office of Scientific and Technical Information (OSTI.GOV)
Tamer Vestlund, A.; FIRA International Ltd., Maxwell Road, Stevenage, Herts SG1 2EW; Al-Ashaab, R.
2014-07-15
Highlights: • Bioaerosols were captured using the filter method. • Bioaerosols were analysed using scanning electron microscope. • Bioaerosols were classified on the basis of morphology. • Single small cells were found more frequently than aggregates and larger cells. • Smaller cells may disperse further than heavier aggregate structures. - Abstract: This research classifies the physical morphology (form and structure) of bioaerosols emitted from open windrow composting. Aggregation state, shape and size of the particles captured are reported alongside the implications for bioaerosol dispersal after release. Bioaerosol sampling took place at a composting facility using personal air filter samplers. Samplesmore » were analysed using scanning electron microscopy. Particles were released mainly as small (<1 μm) single, spherical cells, followed by larger (>1 μm) single cells, with aggregates occurring in smaller proportions. Most aggregates consisted of clusters of 2–3 particles as opposed to chains, and were <10 μm in size. No cells were attached to soil debris or wood particles. These small single cells or small aggregates are more likely to disperse further downwind from source, and cell viability may be reduced due to increased exposure to environmental factors.« less
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A Protocol for Real-time 3D Single Particle Tracking.
Hou, Shangguo; Welsher, Kevin
2018-01-03
Real-time three-dimensional single particle tracking (RT-3D-SPT) has the potential to shed light on fast, 3D processes in cellular systems. Although various RT-3D-SPT methods have been put forward in recent years, tracking high speed 3D diffusing particles at low photon count rates remains a challenge. Moreover, RT-3D-SPT setups are generally complex and difficult to implement, limiting their widespread application to biological problems. This protocol presents a RT-3D-SPT system named 3D Dynamic Photon Localization Tracking (3D-DyPLoT), which can track particles with high diffusive speed (up to 20 µm 2 /s) at low photon count rates (down to 10 kHz). 3D-DyPLoT employs a 2D electro-optic deflector (2D-EOD) and a tunable acoustic gradient (TAG) lens to drive a single focused laser spot dynamically in 3D. Combined with an optimized position estimation algorithm, 3D-DyPLoT can lock onto single particles with high tracking speed and high localization precision. Owing to the single excitation and single detection path layout, 3D-DyPLoT is robust and easy to set up. This protocol discusses how to build 3D-DyPLoT step by step. First, the optical layout is described. Next, the system is calibrated and optimized by raster scanning a 190 nm fluorescent bead with the piezoelectric nanopositioner. Finally, to demonstrate real-time 3D tracking ability, 110 nm fluorescent beads are tracked in water.
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A Method for the Alignment of Heterogeneous Macromolecules from Electron Microscopy
Shatsky, Maxim; Hall, Richard J.; Brenner, Steven E.; Glaeser, Robert M.
2009-01-01
We propose a feature-based image alignment method for single-particle electron microscopy that is able to accommodate various similarity scoring functions while efficiently sampling the two-dimensional transformational space. We use this image alignment method to evaluate the performance of a scoring function that is based on the Mutual Information (MI) of two images rather than one that is based on the cross-correlation function. We show that alignment using MI for the scoring function has far less model-dependent bias than is found with cross-correlation based alignment. We also demonstrate that MI improves the alignment of some types of heterogeneous data, provided that the signal to noise ratio is relatively high. These results indicate, therefore, that use of MI as the scoring function is well suited for the alignment of class-averages computed from single particle images. Our method is tested on data from three model structures and one real dataset. PMID:19166941
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Weigel, Stefan; Peters, Ruud; Loeschner, Katrin; Grombe, Ringo; Linsinger, Thomas P J
2017-08-01
Single-particle inductively coupled plasma mass spectrometry (sp-ICP-MS) promises fast and selective determination of nanoparticle size and number concentrations. While several studies on practical applications have been published, data on formal, especially interlaboratory validation of sp-ICP-MS, is sparse. An international interlaboratory study was organized to determine repeatability and reproducibility of the determination of the median particle size and particle number concentration of Ag nanoparticles (AgNPs) in chicken meat. Ten laboratories from the European Union, the USA, and Canada determined particle size and particle number concentration of two chicken meat homogenates spiked with polyvinylpyrrolidone (PVP)-stabilized AgNPs. For the determination of the median particle diameter, repeatability standard deviations of 2 and 5% were determined, and reproducibility standard deviations were 15 and 25%, respectively. The equivalent median diameter itself was approximately 60% larger than the diameter of the particles in the spiking solution. Determination of the particle number concentration was significantly less precise, with repeatability standard deviations of 7 and 18% and reproducibility standard deviations of 70 and 90%.
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Dilute suspensions in annular shear flow under gravity: simulation and experiment
NASA Astrophysics Data System (ADS)
Schröer, Kevin; Kurzeja, Patrick; Schulz, Stephan; Brockmann, Philipp; Hussong, Jeanette; Janas, Peter; Wlokas, Irenaeus; Kempf, Andreas; Wolf, Dietrich E.
2017-06-01
A dilute suspension in annular shear flow under gravity was simulated using multi-particle collision dynamics (MPC) and compared to experimental data. The focus of the analysis is the local particle velocity and density distribution under the influence of the rotational and gravitational forces. The results are further supported by a deterministic approximation of a single-particle trajectory and OpenFOAM CFD estimations of the overcritical frequency range. Good qualitative agreement is observed for single-particle trajectories between the statistical mean of MPC simulations and the deterministic approximation. Wall contact and detachment however occur earlier in the MPC simulation, which can be explained by the inherent thermal noise of the method. The multi-particle system is investigated at the point of highest particle accumulation that is found at 2/3 of the particle revolution, starting from the top of the annular gap. The combination of shear flow and a slowly rotating volumetric force leads to strong local accumulation in this section that increases the particle volume fraction from overall 0.7% to 4.7% at the outer boundary. MPC simulations and experimental observations agree well in terms of particle distribution and a close to linear velocity profile in radial direction.
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Nogal, Bartek; Bowman, Charles A.; Ward, Andrew B.
2017-01-01
Several biophysical approaches are available to study protein–protein interactions. Most approaches are conducted in bulk solution, and are therefore limited to an average measurement of the ensemble of molecular interactions. Here, we show how single-particle EM can enrich our understanding of protein–protein interactions at the single-molecule level and potentially capture states that are unobservable with ensemble methods because they are below the limit of detection or not conducted on an appropriate time scale. Using the HIV-1 envelope glycoprotein (Env) and its interaction with receptor CD4-binding site neutralizing antibodies as a model system, we both corroborate ensemble kinetics-derived parameters and demonstrate how time-course EM can further dissect stoichiometric states of complexes that are not readily observable with other methods. Visualization of the kinetics and stoichiometry of Env–antibody complexes demonstrated the applicability of our approach to qualitatively and semi-quantitatively differentiate two highly similar neutralizing antibodies. Furthermore, implementation of machine-learning techniques for sorting class averages of these complexes into discrete subclasses of particles helped reduce human bias. Our data provide proof of concept that single-particle EM can be used to generate a “visual” kinetic profile that should be amenable to studying many other protein–protein interactions, is relatively simple and complementary to well-established biophysical approaches. Moreover, our method provides critical insights into broadly neutralizing antibody recognition of Env, which may inform vaccine immunogen design and immunotherapeutic development. PMID:28972148
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Crosslinked polymer nanoparticles containing single conjugated polymer chains
NASA Astrophysics Data System (ADS)
Ponzio, Rodrigo A.; Marcato, Yésica L.; Gómez, María L.; Waiman, Carolina V.; Chesta, Carlos A.; Palacios, Rodrigo E.
2017-06-01
Conjugated polymer nanoparticles are widely used in fluorescent labeling and sensing, as they have mean radii between 5 and 100 nm, narrow size dispersion, high brightness, and are photochemically stable, allowing single particle detection with high spatial and temporal resolution. Highly crosslinked polymers formed by linking individual chains through covalent bonds yield high-strength rigid materials capable of withstanding dissolution by organic solvents. Hence, the combination of crosslinked polymers and conjugated polymers in a nanoparticulated material presents the possibility of interesting applications that require the combined properties of constituent polymers and nanosized dimension. In the present work, F8BT@pEGDMA nanoparticles composed of poly(ethylene glycol dimethacrylate) (pEGDMA; a crosslinked polymer) and containing the commercial conjugated polymer poly(9,9-dioctylfluorene-alt-benzothiadiazole) (F8BT) were synthesized and characterized. Microemulsion polymerization was applied to produce F8BT@pEDGMA particles with nanosized dimensions in a ∼25% yield. Photophysical and size distribution properties of F8BT@pEDGMA nanoparticles were evaluated by various methods, in particular single particle fluorescence microscopy techniques. The results demonstrate that the crosslinking/polymerization process imparts structural rigidity to the F8BT@pEDGMA particles by providing resistance against dissolution/disintegration in organic solvents. The synthesized fluorescent crosslinked nanoparticles contain (for the most part) single F8BT chains and can be detected at the single particle level, using fluorescence microscopy, which bodes well for their potential application as molecularly imprinted polymer fluorescent nanosensors with high spatial and temporal resolution.
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NASA Technical Reports Server (NTRS)
Berg, Melanie; Label, Kenneth; Campola, Michael; Xapsos, Michael
2017-01-01
We propose a method for the application of single event upset (SEU) data towards the analysis of complex systems using transformed reliability models (from the time domain to the particle fluence domain) and space environment data.
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NASA Astrophysics Data System (ADS)
Shen, Xiaoli; Ramisetty, Ramakrishna; Mohr, Claudia; Huang, Wei; Leisner, Thomas; Saathoff, Harald
2018-04-01
The laser ablation aerosol particle time-of-flight mass spectrometer (LAAPTOF, AeroMegt GmbH) is able to identify the chemical composition and mixing state of individual aerosol particles, and thus is a tool for elucidating their impacts on human health, visibility, ecosystem, and climate. The overall detection efficiency (ODE) of the instrument we use was determined to range from ˜ (0.01 ± 0.01) to ˜ (4.23 ± 2.36) % for polystyrene latex (PSL) in the size range of 200 to 2000 nm, ˜ (0.44 ± 0.19) to ˜ (6.57 ± 2.38) % for ammonium nitrate (NH4NO3), and ˜ (0.14 ± 0.02) to ˜ (1.46 ± 0.08) % for sodium chloride (NaCl) particles in the size range of 300 to 1000 nm. Reference mass spectra of 32 different particle types relevant for atmospheric aerosol (e.g. pure compounds NH4NO3, K2SO4, NaCl, oxalic acid, pinic acid, and pinonic acid; internal mixtures of e.g. salts, secondary organic aerosol, and metallic core-organic shell particles; more complex particles such as soot and dust particles) were determined. Our results show that internally mixed aerosol particles can result in spectra with new clusters of ions, rather than simply a combination of the spectra from the single components. An exemplary 1-day ambient data set was analysed by both classical fuzzy clustering and a reference-spectra-based classification method. Resulting identified particle types were generally well correlated. We show how a combination of both methods can greatly improve the interpretation of single-particle data in field measurements.
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A model study of aggregates composed of spherical soot monomers with an acentric carbon shell
NASA Astrophysics Data System (ADS)
Luo, Jie; Zhang, Yongming; Zhang, Qixing
2018-01-01
Influences of morphology on the optical properties of soot particles have gained increasing attentions. However, studies on the effect of the way primary particles are coated on the optical properties is few. Aimed to understand how the primary particles are coated affect the optical properties of soot particles, the coated soot particle was simulated using the acentric core-shell monomers model (ACM), which was generated by randomly moving the cores of concentric core-shell monomers (CCM) model. Single scattering properties of the CCM model with identical fractal parameters were calculated 50 times at first to evaluate the optical diversities of different realizations of fractal aggregates with identical parameters. The results show that optical diversities of different realizations for fractal aggregates with identical parameters cannot be eliminated by averaging over ten random realizations. To preserve the fractal characteristics, 10 realizations of each model were generated based on the identical 10 parent fractal aggregates, and then the results were averaged over each 10 realizations, respectively. The single scattering properties of all models were calculated using the numerically exact multiple-sphere T-matrix (MSTM) method. It is found that the single scattering properties of randomly coated soot particles calculated using the ACM model are extremely close to those using CCM model and homogeneous aggregate (HA) model using Maxwell-Garnett effective medium theory. Our results are different from previous studies. The reason may be that the differences in previous studies were caused by fractal characteristics but not models. Our findings indicate that how the individual primary particles are coated has little effect on the single scattering properties of soot particles with acentric core-shell monomers. This work provides a suggestion for scattering model simplification and model selection.
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Contributions of Organic Sources to Atmospheric Aerosol Particle Concentrations and Growth
NASA Astrophysics Data System (ADS)
Russell, L. M.
2017-12-01
Organic molecules are important contributors to aerosol particle mass and number concentrations through primary emissions as well as secondary growth in the atmosphere. New techniques for measuring organic aerosol components in atmospheric particles have improved measurements of this contribution in the last 20 years, including Scanning Transmission X-ray Microscopy Near Edge X-ray Absorption Fine Structure (STXM-NEXAFS), Fourier Transform Infrared spectroscopy (FTIR), and High-Resolution Aerosol Mass Spectrometry (AMS). STXM-NEXAFS individual aerosol particle composition illustrated the variety of morphology of organic components in marine aerosols, the inherent relationships between organic composition and shape, and the links between atmospheric aerosol composition and particles produced in smog chambers. This type of single particle microscopy has also added to size distribution measurements by providing evidence of how surface-controlled and bulk-controlled processes contribute to the growth of particles in the atmosphere. FTIR analysis of organic functional groups are sufficient to distinguish combustion, marine, and terrestrial organic particle sources and to show that each of those types of sources has a surprisingly similar organic functional group composition over four different oceans and four different continents. Augmenting the limited sampling of these off-line techniques with side-by-side inter-comparisons to online AMS provides complementary composition information and consistent quantitative attribution to sources (despite some clear method differences). Single-particle AMS techniques using light scattering and event trigger modes have now also characterized the types of particles found in urban, marine, and ship emission aerosols. Most recently, by combining with off-line techniques, single particle composition measurements have separated and quantified the contributions of organic, sulfate and salt components from ocean biogenic and sea spray emissions to particles, addressing the persistent question of the sources of cloud condensation nuclei in clean marine conditions.
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Sun, Xiao-Gang; Tang, Hong; Yuan, Gui-Bin
2008-05-01
For the total light scattering particle sizing technique, an inversion and classification method was proposed with the dependent model algorithm. The measured particle system was inversed simultaneously by different particle distribution functions whose mathematic model was known in advance, and then classified according to the inversion errors. The simulation experiments illustrated that it is feasible to use the inversion errors to determine the particle size distribution. The particle size distribution function was obtained accurately at only three wavelengths in the visible light range with the genetic algorithm, and the inversion results were steady and reliable, which decreased the number of multi wavelengths to the greatest extent and increased the selectivity of light source. The single peak distribution inversion error was less than 5% and the bimodal distribution inversion error was less than 10% when 5% stochastic noise was put in the transmission extinction measurement values at two wavelengths. The running time of this method was less than 2 s. The method has advantages of simplicity, rapidity, and suitability for on-line particle size measurement.
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Identity method for particle number fluctuations and correlations
DOE Office of Scientific and Technical Information (OSTI.GOV)
Gorenstein, M. I.
An incomplete particle identification distorts the observed event-by-event fluctuations of the hadron chemical composition in nucleus-nucleus collisions. A new experimental technique called the identity method was recently proposed. It eliminated the misidentification problem for one specific combination of the second moments in a system of two hadron species. In the present paper, this method is extended to calculate all the second moments in a system with an arbitrary number of hadron species. Special linear combinations of the second moments are introduced. These combinations are presented in terms of single-particle variables and can be found experimentally from the event-by-event averaging. Themore » mathematical problem is then reduced to solving a system of linear equations. The effect of incomplete particle identification is fully eliminated from the final results.« less
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NASA Astrophysics Data System (ADS)
Augustin-Bauditz, Stefanie; Wex, Heike; Denjean, Cyrielle; Hartmann, Susan; Schneider, Johannes; Schmidt, Susann; Ebert, Martin; Stratmann, Frank
2016-05-01
Biological particles such as bacteria, fungal spores or pollen are known to be efficient ice nucleating particles. Their ability to nucleate ice is due to ice nucleation active macromolecules (INMs). It has been suggested that these INMs maintain their nucleating ability even when they are separated from their original carriers. This opens the possibility of an accumulation of such INMs in soils, resulting in an internal mixture of mineral dust and INMs. If particles from such soils which contain biological INMs are then dispersed into the atmosphere due to wind erosion or agricultural processes, they could induce ice nucleation at temperatures typical for biological substances, i.e., above -20 up to almost 0 °C, while they might be characterized as mineral dust particles due to a possibly low content of biological material. We conducted a study within the research unit INUIT (Ice Nucleation research UnIT), where we investigated the ice nucleation behavior of mineral dust particles internally mixed with INM. Specifically, we mixed a pure mineral dust sample (illite-NX) with ice active biological material (birch pollen washing water) and quantified the immersion freezing behavior of the resulting particles utilizing the Leipzig Aerosol Cloud Interaction Simulator (LACIS). A very important topic concerning the investigations presented here as well as for atmospheric application is the characterization of the mixing state of aerosol particles. In the present study we used different methods like single-particle aerosol mass spectrometry, Scanning Electron Microscopy (SEM), Energy Dispersive X-ray analysis (EDX), and a Volatility-Hygroscopicity Tandem Differential Mobility Analyser (VH-TDMA) to investigate the mixing state of our generated aerosol. Not all applied methods performed similarly well in detecting small amounts of biological material on the mineral dust particles. Measuring the hygroscopicity/volatility of the mixed particles with the VH-TDMA was the most sensitive method. We found that internally mixed particles, containing ice active biological material, follow the ice nucleation behavior observed for the pure biological particles. We verified this by modeling the freezing behavior of the mixed particles with the Soccerball model (SBM). It can be concluded that a single INM located on a mineral dust particle determines the freezing behavior of that particle with the result that freezing occurs at temperatures at which pure mineral dust particles are not yet ice active.
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Ultra-small dye-doped silica nanoparticles via modified sol-gel technique
NASA Astrophysics Data System (ADS)
Riccò, R.; Nizzero, S.; Penna, E.; Meneghello, A.; Cretaio, E.; Enrichi, F.
2018-05-01
In modern biosensing and imaging, fluorescence-based methods constitute the most diffused approach to achieve optimal detection of analytes, both in solution and on the single-particle level. Despite the huge progresses made in recent decades in the development of plasmonic biosensors and label-free sensing techniques, fluorescent molecules remain the most commonly used contrast agents to date for commercial imaging and detection methods. However, they exhibit low stability, can be difficult to functionalise, and often result in a low signal-to-noise ratio. Thus, embedding fluorescent probes into robust and bio-compatible materials, such as silica nanoparticles, can substantially enhance the detection limit and dramatically increase the sensitivity. In this work, ultra-small fluorescent silica nanoparticles (NPs) for optical biosensing applications were doped with a fluorescent dye, using simple water-based sol-gel approaches based on the classical Stöber procedure. By systematically modulating reaction parameters, controllable size tuning of particle diameters as low as 10 nm was achieved. Particles morphology and optical response were evaluated showing a possible single-molecule behaviour, without employing microemulsion methods to achieve similar results. [Figure not available: see fulltext.
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One-to-one encapsulation based on alternating droplet generation
NASA Astrophysics Data System (ADS)
Hirama, Hirotada; Torii, Toru
2015-10-01
This paper reports the preparation of encapsulated particles as models of cells using an alternating droplet generation encapsulation method in which the number of particles in a droplet is controlled by a microchannel to achieve one-to-one encapsulation. Using a microchannel in which wettability is treated locally, the fluorescent particles used as models of cells were successfully encapsulated in uniform water-in-oil-in-water (W/O/W) emulsion droplets. Furthermore, 20% of the particle-containing droplets contained one particle. Additionally, when a surfactant with the appropriate properties was used, the fluorescent particles within each inner aqueous droplet were enclosed in the merged droplet by spontaneous droplet coalescence. This one-to-one encapsulation method based on alternating droplet generation could be used for a variety of applications, such as high-throughput single-cell assays, gene transfection into cells or one-to-one cell fusion.
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One-to-one encapsulation based on alternating droplet generation.
Hirama, Hirotada; Torii, Toru
2015-10-21
This paper reports the preparation of encapsulated particles as models of cells using an alternating droplet generation encapsulation method in which the number of particles in a droplet is controlled by a microchannel to achieve one-to-one encapsulation. Using a microchannel in which wettability is treated locally, the fluorescent particles used as models of cells were successfully encapsulated in uniform water-in-oil-in-water (W/O/W) emulsion droplets. Furthermore, 20% of the particle-containing droplets contained one particle. Additionally, when a surfactant with the appropriate properties was used, the fluorescent particles within each inner aqueous droplet were enclosed in the merged droplet by spontaneous droplet coalescence. This one-to-one encapsulation method based on alternating droplet generation could be used for a variety of applications, such as high-throughput single-cell assays, gene transfection into cells or one-to-one cell fusion.
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Fine tuning of size and morphology of magnetite nanoparticles synthesized by microemulsion
NASA Astrophysics Data System (ADS)
Singh, Pinki; Upadhyay, Chandan
2018-05-01
The synthesis parameters crucially affect the physical and chemical parameters of nanoparticles. Magnetite (Fe3O4) nanoparticles were synthesized using microemulsion method. This method does not require high temperature synthesis, nitrogen environment and/or pH regulation during synthesis process. We are presenting here a systematic study on role of different associated parameters of microemulsion synthesis method on the formation of Fe3O4 nanoparticles. From X-ray Diffraction and Transmission Electron Micoscopy data analysis the size of synthesized particles were observed to be <10 nm. The critical concentration of ferrous-ferric solution to obtain particles in single phase has been found to be ≤0.09 M and ≤0.184 M, respectively. The variation of molar concentration (0.01 M ≤x≤ 0.1 M) of CTAB leads to formation of Fe3O4 nano-scale particles of distinct morphologies e.g. nano-cubes, pentagons and spheres. The number of ferrous and ferric ions involved in the formation decides the size of the nanoparticles. The single crystallographic phase is obtained in reaction temperature range of 65° C
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NASA Technical Reports Server (NTRS)
Berg, Melanie; Label, Kenneth; Campola, Michael; Xapsos, Michael
2017-01-01
We propose a method for the application of single event upset (SEU) data towards the analysis of complex systems using transformed reliability models (from the time domain to the particle fluence domain) and space environment data.
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NASA Technical Reports Server (NTRS)
Berg, Melanie; Label, Kenneth; Campola, Michael; Xapsos, Michael
2017-01-01
We propose a method for the application of single event upset (SEU) data towards the analysis of complex systems using transformed reliability models (from the time domain to the particle fluence domain) and space environment data.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Cai Xiaoming; Chen Shu; Wang Yupeng
The superfluid-to-Anderson-insulator transition of a strongly repulsive Bose gas is studied in a one-dimensional incommensurate optical lattice. In the hard-core limit, the Bose-Fermi mapping allows us to deal with the system using the exact numerical method. Based on the Aubry-Andre model, we exploit the phase transition of the hard-core boson system from the superfluid phase with all single-particle states extended to the Bose-glass phase with all the single-particle states being Anderson localized as the strength of the incommensurate potential increases relative to the hopping amplitude. We evaluate the superfluid fraction, one-particle density matrices, momentum distributions, the natural orbitals, and theirmore » occupations. All of these quantities show that there exists a superfluid-to-insulator phase transition in the system.« less
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A Review of Discrete Element Method (DEM) Particle Shapes and Size Distributions for Lunar Soil
NASA Technical Reports Server (NTRS)
Lane, John E.; Metzger, Philip T.; Wilkinson, R. Allen
2010-01-01
As part of ongoing efforts to develop models of lunar soil mechanics, this report reviews two topics that are important to discrete element method (DEM) modeling the behavior of soils (such as lunar soils): (1) methods of modeling particle shapes and (2) analytical representations of particle size distribution. The choice of particle shape complexity is driven primarily by opposing tradeoffs with total number of particles, computer memory, and total simulation computer processing time. The choice is also dependent on available DEM software capabilities. For example, PFC2D/PFC3D and EDEM support clustering of spheres; MIMES incorporates superquadric particle shapes; and BLOKS3D provides polyhedra shapes. Most commercial and custom DEM software supports some type of complex particle shape beyond the standard sphere. Convex polyhedra, clusters of spheres and single parametric particle shapes such as the ellipsoid, polyellipsoid, and superquadric, are all motivated by the desire to introduce asymmetry into the particle shape, as well as edges and corners, in order to better simulate actual granular particle shapes and behavior. An empirical particle size distribution (PSD) formula is shown to fit desert sand data from Bagnold. Particle size data of JSC-1a obtained from a fine particle analyzer at the NASA Kennedy Space Center is also fitted to a similar empirical PSD function.
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Charge-Spot Model for Electrostatic Forces in Simulation of Fine Particulates
NASA Technical Reports Server (NTRS)
Walton, Otis R.; Johnson, Scott M.
2010-01-01
The charge-spot technique for modeling the static electric forces acting between charged fine particles entails treating electric charges on individual particles as small sets of discrete point charges, located near their surfaces. This is in contrast to existing models, which assume a single charge per particle. The charge-spot technique more accurately describes the forces, torques, and moments that act on triboelectrically charged particles, especially image-charge forces acting near conducting surfaces. The discrete element method (DEM) simulation uses a truncation range to limit the number of near-neighbor charge spots via a shifted and truncated potential Coulomb interaction. The model can be readily adapted to account for induced dipoles in uncharged particles (and thus dielectrophoretic forces) by allowing two charge spots of opposite signs to be created in response to an external electric field. To account for virtual overlap during contacts, the model can be set to automatically scale down the effective charge in proportion to the amount of virtual overlap of the charge spots. This can be accomplished by mimicking the behavior of two real overlapping spherical charge clouds, or with other approximate forms. The charge-spot method much more closely resembles real non-uniform surface charge distributions that result from tribocharging than simpler approaches, which just assign a single total charge to a particle. With the charge-spot model, a single particle may have a zero net charge, but still have both positive and negative charge spots, which could produce substantial forces on the particle when it is close to other charges, when it is in an external electric field, or when near a conducting surface. Since the charge-spot model can contain any number of charges per particle, can be used with only one or two charge spots per particle for simulating charging from solar wind bombardment, or with several charge spots for simulating triboelectric charging. Adhesive image-charge forces acting on charged particles touching conducting surfaces can be up to 50 times stronger if the charge is located in discrete spots on the particle surface instead of being distributed uniformly over the surface of the particle, as is assumed by most other models. Besides being useful in modeling particulates in space and distant objects, this modeling technique is useful for electrophotography (used in copiers) and in simulating the effects of static charge in the pulmonary delivery of fine dry powders.
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Printing 1D Assembly Array of Single Particle Resolution for Magnetosensing.
Gao, Meng; Kuang, Minxuan; Li, Lihong; Liu, Meijin; Wang, Libin; Song, Yanlin
2018-05-01
Magnetosensing is a ubiquitous ability for many organism species in nature. 1D assembly, especially that arranged in single-particle-resolution regulation, is able to sense the direction of magnetic field depending on the enhanced dipolar interaction in the linear orientation. Inspired by the magnetosome structure in magnetotactic bacteria, a 1D assembly array of single particle resolution with controlled length and well-behaved configuration is prepared via inkjet printing method assisted with magnetic guiding. In the fabrication process, chains in a "tip-to-tip" regulation with the desired number of particles are prepared in a confined tiny inkjet-printed droplet. By adjusting the receding angle of the substrate, the assembled 1D morphology is kept/deteriorated depending on the pinning/depinning behavior during ink evaporation, which leads to the formation of well-behaved 1D assembly/aggregated dot assembly. Owing to the high-aspect-ratio characteristic of the assembled structure, the as-prepared 1D arrays can be used for magnetic field sensing with anisotropic magnetization M // /M ⊥ up to 6.03. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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Characterization of single particle aerosols by elastic light scattering at multiple wavelengths
NASA Astrophysics Data System (ADS)
Lane, P. A.; Hart, M. B.; Jain, V.; Tucker, J. E.; Eversole, J. D.
2018-03-01
We describe a system to characterize individual aerosol particles using stable and repeatable measurement of elastic light scattering. The method employs a linear electrodynamic quadrupole (LEQ) particle trap. Charged particles, continuously injected by electrospray into this system, are confined to move vertically along the stability line in the center of the LEQ past a point where they are optically interrogated. Light scattered in the near forward direction was measured at three different wavelengths using time-division multiplexed collinear laser beams. We validated our method by comparing measured silica microsphere data for four selected diameters (0.7, 1.0, 1.5 and 2.0 μm) to a model of collected scattered light intensities based upon Lorenz-Mie scattering theory. Scattered light measurements at the different wavelengths are correlated, allowing us to distinguish and classify inhomogeneous particles.
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Computational modeling of magnetic particle margination within blood flow through LAMMPS
NASA Astrophysics Data System (ADS)
Ye, Huilin; Shen, Zhiqiang; Li, Ying
2017-11-01
We develop a multiscale and multiphysics computational method to investigate the transport of magnetic particles as drug carriers in blood flow under influence of hydrodynamic interaction and external magnetic field. A hybrid coupling method is proposed to handle red blood cell (RBC)-fluid interface (CFI) and magnetic particle-fluid interface (PFI), respectively. Immersed boundary method (IBM)-based velocity coupling is used to account for CFI, which is validated by tank-treading and tumbling behaviors of a single RBC in simple shear flow. While PFI is captured by IBM-based force coupling, which is verified through movement of a single magnetic particle under non-uniform external magnetic field and breakup of a magnetic chain in rotating magnetic field. These two components are seamlessly integrated within the LAMMPS framework, which is a highly parallelized molecular dynamics solver. In addition, we also implement a parallelized lattice Boltzmann simulator within LAMMPS to handle the fluid flow simulation. Based on the proposed method, we explore the margination behaviors of magnetic particles and magnetic chains within blood flow. We find that the external magnetic field can be used to guide the motion of these magnetic materials and promote their margination to the vascular wall region. Moreover, the scaling performance and speedup test further confirm the high efficiency and robustness of proposed computational method. Therefore, it provides an efficient way to simulate the transport of nanoparticle-based drug carriers within blood flow in a large scale. The simulation results can be applied in the design of efficient drug delivery vehicles that optimally accumulate within diseased tissue, thus providing better imaging sensitivity, therapeutic efficacy and lower toxicity.
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Nanoparticle generation and interactions with surfaces in vacuum systems
NASA Astrophysics Data System (ADS)
Khopkar, Yashdeep
Extreme ultraviolet lithography (EUVL) is the most likely candidate as the next generation technology beyond immersion lithography to be used in high volume manufacturing in the semiconductor industry. One of the most problematic areas in the development process is the fabrication of mask blanks used in EUVL. As the masks are reflective, there is a chance that any surface aberrations in the form of bumps or pits could be printed on the silicon wafers. There is a strict tolerance to the number density of such defects on the mask that can be used in the final printing process. Bumps on the surface could be formed when particles land on the mask blank surface during the deposition of multiple bi-layers of molybdenum and silicon. To identify, and possibly mitigate the source of particles during mask fabrication, SEMATECH investigated particle generation in the VEECO Nexus deposition tool. They found several sources of particles inside the tool such as valves. To quantify the particle generation from vacuum components, a test bench suitable for evaluating particle generation in the sub-100 nm particle size range was needed. The Nanoparticle test bench at SUNY Polytechnic Institute was developed as a sub-set of the overall SEMATECH suite of metrology tools used to identify and quantify sources of particles inside process tools that utilize these components in the semiconductor industry. Vacuum valves were tested using the test bench to investigate the number, size and possible sources of particles inside the valves. Ideal parameters of valve operation were also investigated using a 300-mm slit valve with the end goal of finding optimized parameters for minimum particle generation. SEMATECH also pursued the development of theoretical models of particle transport replicating the expected conditions in an ion beam deposition chamber assuming that the particles were generated. In the case of the ion beam deposition tool used in the mask blank fabrication process, the ion beam in the tool could significantly accelerate particles. Assuming that these particles are transported to various surfaces inside the deposition tool, the next challenge is to enhance the adhesion of the particles on surfaces that are located in the non-critical areas inside the tool. However, for particles in the sub-100 nm size range, suitable methods do not exist that can compare the adhesion probability of particles upon impact for a wide range of impact velocities, surfaces and particle types. Traditional methods, which rely on optical measurement of particle velocities in the micron-size regime, cannot be used for sub-100 nm particles as the particles do not scatter sufficient light for the detectors to function. All the current methods rely on electrical measurements taken from impacting particles onto a surface. However, for sub-100 nm particles, the impact velocity varies in different regions of the same impaction spot. Therefore, electrical measurements are inadequate to quantify the exact adhesion characteristics at different impact velocities to enable a comparison of multiple particle-surface systems. Therefore, we propose a new method based on the use of scanning electron microscopy (SEM) imaging to study the adhesion of particles upon impact on surfaces. The use of SEM imaging allows for single particle detection across a single impaction spot and, therefore, enables the comparison of different regions with different impact velocities in a single impaction spot. The proposed method will provide comprehensive correlation between the adhesion probability of sub-100 nm particles and a wide range of impact velocities and angles. The location of each particle is compared with impact velocity predicted by using computational fluid dynamics methods to generate a comprehensive adhesion map involving the impact of 70 nm particles on a polished surface across a large impact velocity range. The final adhesion probability map shows higher adhesion at oblique impact angles compared to normal incidence impacts. Theoretical and experiments with micron-sized particles have shown that the contact area between the particle and the surface decreases at lower incidence angles which results in a decrease in the adhesion probability of the particle. The most likely cause of this result was the role of plastic deformation of particles and its effect on adhesion. Therefore, 70 nm sucrose particles were also impacted under similar impaction conditions to compare the role of plastic deformation on the adhesion characteristics of a particle. Sucrose particles have approximately 10 times more modulus of elasticity than Polystyrene Latex (PSL) particles and were found to have almost no adhesion on the surface at the same impact velocities where the highest adhesion of PSL particles was measured. Besides the role of plastic deformation, the influence of other possible errors in this process was investigated but not found to be significant. (Abstract shortened by UMI.).
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High-resolution extraction of particle size via Fourier Ptychography
NASA Astrophysics Data System (ADS)
Li, Shengfu; Zhao, Yu; Chen, Guanghua; Luo, Zhenxiong; Ye, Yan
2017-11-01
This paper proposes a method which can extract the particle size information with a resolution beyond λ/NA. This is achieved by applying Fourier Ptychographic (FP) ideas to the present problem. In a typical FP imaging platform, a 2D LED array is used as light sources for angle-varied illuminations, a series of low-resolution images was taken by a full sequential scan of the array of LEDs. Here, we demonstrate the particle size information is extracted by turning on each single LED on a circle. The simulated results show that the proposed method can reduce the total number of images, without loss of reliability in the results.
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Screening Methods for Metal-Containing Nanoparticles in Water
Screening-level analysis of water for metal-containing nanoparticles is achieved with single particle-inductively coupled plasma mass spectrometry (SP-ICPMS). This method measures both the concentration of nanoparticles containing an analyte metal and the mass of the metal in eac...
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Rashidi, S.; Ataie, A., E-mail: aataie@ut.ac.ir
Highlights: • Single phase CoFe{sub 2}O{sub 4} nano-particles synthesized in one step by mechanical alloying. • PVA/CoFe{sub 2}O{sub 4} magnetic nano-composites were fabricated via mechanical milling. • FTIR confirmed the interaction between PVA and magnetic CoFe{sub 2}O{sub 4} particles. • Increasing in milling time and PVA amount led to well dispersion of CoFe{sub 2}O{sub 4}. - Abstract: In this research, polyvinyl alcohol/cobalt ferrite nano-composites were successfully synthesized employing a two-step procedure: the spherical single-phase cobalt ferrite of 20 ± 4 nm mean particle size was synthesized via mechanical alloying method and then embedded into polymer matrix by intensive milling. Themore » results revealed that increase in polyvinyl alcohol content and milling time causes cobalt ferrite particles disperse more homogeneously in polymer matrix, while the mean particle size and shape of cobalt ferrite have not been significantly affected. Transmission electron microscope images indicated that polyvinyl alcohol chains have surrounded the cobalt ferrite nano-particles; also, the interaction between polymer and cobalt ferrite particles in nano-composite samples was confirmed. Magnetic properties evaluation showed that saturation magnetization, coercivity and anisotropy constant values decreased in nano-composite samples compared to pure cobalt ferrite. However, the coercivity values of related nano-composite samples enhanced by increasing PVA amount due to domain wall mechanism.« less
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Global Aspects of Charged Particle Motion in Axially Symmetric Multipole Magnetic Fields
NASA Technical Reports Server (NTRS)
Shebalin, John V.
2003-01-01
The motion of a single charged particle in the space outside of a compact region of steady currents is investigated. The charged particle is assumed to produce negligible electromagnetic radiation, so that its energy is conserved. The source of the magnetic field is represented as a point multipole. After a general description, attention is focused on magnetic fields with axial symmetry. Lagrangian dynamical theory is utilized to identify constants of the motion as well as the equations of motion themselves. The qualitative method of Stonner is used to examine charged particle motion in axisymmetric multipole fields of all orders. Although the equations of motion generally have no analytical solutions and must be integrated numerically to produce a specific orbit, a topological examination of dynamics is possible, and can be used, d la Stonner, to completely describe the global aspects of the motion of a single charged particle in a space with an axisymmetric multipole magnetic field.
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Water interaction with hydrophobic and hydrophilic soot particles.
Popovicheva, Olga; Persiantseva, Natalia M; Shonija, Natalia K; DeMott, Paul; Koehler, Kirsten; Petters, Markus; Kreidenweis, Sonia; Tishkova, Victoria; Demirdjian, Benjamin; Suzanne, Jean
2008-05-07
The interaction of water with laboratory soots possessing a range of properties relevant for atmospheric studies is examined by two complementary methods: gravimetrical measurement of water uptake coupled with chemical composition and porosity analysis and HTDMA (humidified tandem differential mobility analyzer) inference of water uptake accompanied by separate TEM (transmission electron microscopy) analysis of single particles. The first method clarifies the mechanism of water uptake for bulk soot and allows the classification of soot with respect to its hygroscopicity. The second method highlights the dependence of the soot aerosol growth factor on relative humidity (RH) for quasi-monodisperse particles. Hydrophobic and hydrophilic soot are qualitatively defined by their water uptake and surface polarity: laboratory soot particles are thus classified from very hydrophobic to very hydrophilic. Thermal soot particles produced from natural gas combustion are classified as hydrophobic with a surface of low polarity since water is found to cover only half of the surface. Graphitized thermal soot particles are proposed for comparison as extremely hydrophobic and of very low surface polarity. Soot particles produced from laboratory flame of TC1 aviation kerosene are less hydrophobic, with their entire surface being available for statistical monolayer water coverage at RH approximately 10%. Porosity measurements suggest that, initially, much of this surface water resides within micropores. Consequently, the growth factor increase of these particles to 1.07 at RH > 80% is attributed to irreversible swelling that accompanies water uptake. Hysteresis of adsorption/desorption cycles strongly supports this conclusion. In contrast, aircraft engine soot, produced from burning TC1 kerosene in a gas turbine engine combustor, has an extremely hydrophilic surface of high polarity. Due to the presence of water soluble organic and inorganic material it can be covered by many water layers even below water saturation conditions. This soot demonstrates a gradual diameter growth factor (D(wet)/D(dry)) increase up to 1.22 at 93% relative humidity, most likely due to the presence of single particles with water soluble material heterogeneously distributed over their surface.
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Interaction of Burning Metal Particles
NASA Technical Reports Server (NTRS)
Dreizin, Edward L.; Berman, Charles H.; Hoffmann, Vern K.
1999-01-01
Physical characteristics of the combustion of metal particle groups have been addressed in this research. The combustion behavior and interaction effects of multiple metal particles has been studied using a microgravity environment, which presents a unique opportunity to create an "aerosol" consisting of relatively large particles, i.e., 50-300 m diameter. Combustion behavior of such an aerosol could be examined using methods adopted from well-developed single particle combustion research. The experiment included fluidizing relatively large (order of 100 m diameter) uniform metal particles under microgravity and igniting such an "aerosol" using a hot wire igniter. The flame propagation and details of individual particle combustion and particle interaction have been studied using a high speed movie and video-imaging with cameras coupled with microscope lenses to resolve individual particles. Interference filters were used to separate characteristic metal and metal oxide radiation bands from the thermal black body radiation. Recorded flame images were digitized and various image processing techniques including flame position tracking, color separation, and pixel by pixel image comparison were employed to understand the processes occurring in the burning aerosol. The development of individual particle flames, merging or separation, and extinguishment as well as induced particle motion have been analyzed to identify the mechanisms governing these processes. Size distribution, morphology, and elemental compositions of combustion products were characterized and used to link the observed in this project aerosol combustion phenomena with the recently expanded mechanism of single metal particle combustion.
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Emerging opportunities in structural biology with X-ray free-electron lasers
Schlichting, Ilme; Miao, Jianwei
2012-01-01
X-ray free-electron lasers (X-FELs) produce X-ray pulses with extremely brilliant peak intensity and ultrashort pulse duration. It has been proposed that radiation damage can be “outrun” by using an ultra intense and short X-FEL pulse that passes a biological sample before the onset of significant radiation damage. The concept of “diffraction-before-destruction” has been demonstrated recently at the Linac Coherent Light Source, the first operational hard X-ray FEL, for protein nanocrystals and giant virus particles. The continuous diffraction patterns from single particles allow solving the classical “phase problem” by the oversampling method with iterative algorithms. If enough data are collected from many identical copies of a (biological) particle, its three-dimensional structure can be reconstructed. We review the current status and future prospects of serial femtosecond crystallography (SFX) and single-particle coherent diffraction imaging (CDI) with X-FELs. PMID:22922042
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Virtanen, Otto L J; Purohit, Ashvini; Brugnoni, Monia; Wöll, Dominik; Richtering, Walter
2016-09-08
Stimuli-sensitive poly(N-isopropylacrylamide) (PNIPAM) microgels have various prospective practical applications and uses in fundamental research. In this work, we use single particle tracking of fluorescently labeled PNIPAM microgels as a showcase for tuning microgel size by a rapid non-stirred precipitation polymerization procedure. This approach is well suited for prototyping new reaction compositions and conditions or for applications that do not require large amounts of product. Microgel synthesis, particle size and structure determination by dynamic and static light scattering are detailed in the protocol. It is shown that the addition of functional comonomers can have a large influence on the particle nucleation and structure. Single particle tracking by wide-field fluorescence microscopy allows for an investigation of the diffusion of labeled tracer microgels in a concentrated matrix of non-labeled microgels, a system not easily investigated by other methods such as dynamic light scattering.
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Crystallization process of a three-dimensional complex plasma
NASA Astrophysics Data System (ADS)
Steinmüller, Benjamin; Dietz, Christopher; Kretschmer, Michael; Thoma, Markus H.
2018-05-01
Characteristic timescales and length scales for phase transitions of real materials are in ranges where a direct visualization is unfeasible. Therefore, model systems can be useful. Here, the crystallization process of a three-dimensional complex plasma under gravity conditions is considered where the system ranges up to a large extent into the bulk plasma. Time-resolved measurements exhibit the process down to a single-particle level. Primary clusters, consisting of particles in the solid state, grow vertically and, secondarily, horizontally. The box-counting method shows a fractal dimension of df≈2.72 for the clusters. This value gives a hint that the formation process is a combination of local epitaxial and diffusion-limited growth. The particle density and the interparticle distance to the nearest neighbor remain constant within the clusters during crystallization. All results are in good agreement with former observations of a single-particle layer.
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In-line three-dimensional holography of nanocrystalline objects at atomic resolution
Chen, F. -R.; Van Dyck, D.; Kisielowski, C.
2016-02-18
We report that resolution and sensitivity of the latest generation aberration-corrected transmission electron microscopes allow the vast majority of single atoms to be imaged with sub-Ångstrom resolution and their locations determined in an image plane with a precision that exceeds the 1.9-pm wavelength of 300 kV electrons. Such unprecedented performance allows expansion of electron microscopic investigations with atomic resolution into the third dimension. Here we show a general tomographic method to recover the three-dimensional shape of a crystalline particle from high-resolution images of a single projection without the need for sample rotation. The method is compatible with low dose ratemore » electron microscopy, which improves on signal quality, while minimizing electron beam-induced structure modifications even for small particles or surfaces. Lastly, we apply it to germanium, gold and magnesium oxide particles, and achieve a depth resolution of 1–2 Å, which is smaller than inter-atomic distances.« less
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Rösch, Petra; Harz, Michaela; Schmitt, Michael; Peschke, Klaus-Dieter; Ronneberger, Olaf; Burkhardt, Hans; Motzkus, Hans-Walter; Lankers, Markus; Hofer, Stefan; Thiele, Hans; Popp, Jürgen
2005-03-01
Microorganisms, such as bacteria, which might be present as contamination inside an industrial food or pharmaceutical clean room process need to be identified on short time scales in order to minimize possible health hazards as well as production downtimes causing financial deficits. Here we describe the first results of single-particle micro-Raman measurements in combination with a classification method, the so-called support vector machine technique, allowing for a fast, reliable, and nondestructive online identification method for single bacteria.
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Rösch, Petra; Harz, Michaela; Schmitt, Michael; Peschke, Klaus-Dieter; Ronneberger, Olaf; Burkhardt, Hans; Motzkus, Hans-Walter; Lankers, Markus; Hofer, Stefan; Thiele, Hans; Popp, Jürgen
2005-01-01
Microorganisms, such as bacteria, which might be present as contamination inside an industrial food or pharmaceutical clean room process need to be identified on short time scales in order to minimize possible health hazards as well as production downtimes causing financial deficits. Here we describe the first results of single-particle micro-Raman measurements in combination with a classification method, the so-called support vector machine technique, allowing for a fast, reliable, and nondestructive online identification method for single bacteria. PMID:15746368
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Convergence of the Light-Front Coupled-Cluster Method in Scalar Yukawa Theory
NASA Astrophysics Data System (ADS)
Usselman, Austin
We use Fock-state expansions and the Light-Front Coupled-Cluster (LFCC) method to study mass eigenvalue problems in quantum field theory. Specifically, we study convergence of the method in scalar Yukawa theory. In this theory, a single charged particle is surrounded by a cloud of neutral particles. The charged particle can create or annihilate neutral particles, causing the n-particle state to depend on the n + 1 and n - 1-particle state. Fock state expansion leads to an infinite set of coupled equations where truncation is required. The wave functions for the particle states are expanded in a basis of symmetric polynomials and a generalized eigenvalue problem is solved for the mass eigenvalue. The mass eigenvalue problem is solved for multiple values for the coupling strength while the number of particle states and polynomial basis order are increased. Convergence of the mass eigenvalue solutions is then obtained. Three mass ratios between the charged particle and neutral particles were studied. This includes a massive charged particle, equal masses and massive neutral particles. Relative probability between states can also be explored for more detailed understanding of the process of convergence with respect to the number of Fock sectors. The reliance on higher order particle states depended on how large the mass of the charge particle was. The higher the mass of the charged particle, the more the system depended on higher order particle states. The LFCC method solves this same mass eigenvalue problem using an exponential operator. This exponential operator can then be truncated instead to form a finite system of equations that can be solved using a built in system solver provided in most computational environments, such as MatLab and Mathematica. First approximation in the LFCC method allows for only one particle to be created by the new operator and proved to be not powerful enough to match the Fock state expansion. The second order approximation allowed one and two particles to be created by the new operator and converged to the Fock state expansion results. This showed the LFCC method to be a reliable replacement method for solving quantum field theory problems.
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NASA Astrophysics Data System (ADS)
Letu, H.; Ishimoto, H.; Riedi, J.; Nakajima, T. Y.; -Labonnote, L. C.; Baran, A. J.; Nagao, T. M.; Skiguchi, M.
2015-11-01
Various ice particle habits are investigated in conjunction with inferring the optical properties of ice cloud for the Global Change Observation Mission-Climate (GCOM-C) satellite program. A database of the single-scattering properties of five ice particle habits, namely, plates, columns, droxtals, bullet-rosettes, and Voronoi, is developed. The database is based on the specification of the Second Generation Global Imager (SGLI) sensor onboard the GCOM-C satellite, which is scheduled to be launched in 2017 by Japan Aerospace Exploration Agency (JAXA). A combination of the finite-difference time-domain (FDTD) method, Geometric Optics Integral Equation (GOIE) technique, and geometric optics method (GOM) are applied to compute the single-scattering properties of the selected ice particle habits at 36 wavelengths, from the visible-to-infrared spectral region, covering the SGLI channels for the size parameter, which is defined with respect to the equivalent-volume radius sphere, which ranges between 6 and 9000. The database includes the extinction efficiency, absorption efficiency, average geometrical cross-section, single-scattering albedo, asymmetry factor, size parameter of an equivalent volume sphere, maximum distance from the center of mass, particle volume, and six non-zero elements of the scattering phase matrix. The characteristics of the calculated extinction efficiency, single-scattering albedo, and asymmetry factor of the five ice particle habits are compared. Furthermore, the optical thickness and spherical albedo of ice clouds using the five ice particle habit models are retrieved from the Polarization and Directionality of the Earth's Reflectances-3 (POLDER-3) measurements on board the Polarization and Anisotropy of Reflectances for Atmospheric Sciences coupled with Observations from a Lidar (PARASOL). The optimal ice particle habit for retrieving the SGLI ice cloud properties was investigated by adopting the spherical albedo difference (SAD) method. It is found that the SAD, for bullet-rosette particle, with radii of equivalent volume spheres (r~) ranging between 6 to 10 μm, and the Voronoi particle, with r~ ranging between 28 to 38 μm, and 70 to 100 μm, is distributed stably as the scattering angle increases. It is confirmed that the SAD of small bullet rosette and all sizes of voronoi particles has a low angular dependence, indicating that the combination of the bullet-rosette and Voronoi models are sufficient for retrieval of the ice cloud spherical albedo and optical thickness as an effective habit models of the SGLI sensor. Finally, SAD analysis based on the Voronoi habit model with moderate particles (r~ = 30 μm) is compared to the conventional General Habit Mixture (GHM), Inhomogeneous Hexagonal Monocrystal (IHM), 5-plate aggregate and ensemble ice particle model. It is confirmed that the Voronoi habit model has an effect similar to the counterparts of some conventional models on the retrieval of ice cloud properties from space-borne radiometric observations.
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NASA Astrophysics Data System (ADS)
Coleman, Victoria A.; Jämting, Åsa K.; Catchpoole, Heather J.; Roy, Maitreyee; Herrmann, Jan
2011-10-01
Nanoparticles and products incorporating nanoparticles are a growing branch of nanotechnology industry. They have found a broad market, including the cosmetic, health care and energy sectors. Accurate and representative determination of particle size distributions in such products is critical at all stages of the product lifecycle, extending from quality control at point of manufacture to environmental fate at the point of disposal. Determination of particle size distributions is non-trivial, and is complicated by the fact that different techniques measure different quantities, leading to differences in the measured size distributions. In this study we use both mono- and multi-modal dispersions of nanoparticle reference materials to compare and contrast traditional and novel methods for particle size distribution determination. The methods investigated include ensemble techniques such as dynamic light scattering (DLS) and differential centrifugal sedimentation (DCS), as well as single particle techniques such as transmission electron microscopy (TEM) and microchannel resonator (ultra high-resolution mass sensor).
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Drücker, Sven; Krautstrunk, Isabell; Paulick, Maria; Saleh, Khashayar; Morgeneyer, Martin; Kwade, Arno
2016-01-01
The Discrete Element Method is used for the simulation of particulate systems to describe and analyze them, to predict and afterwards optimize their behavior for single stages of a process or even an entire process. For the simulation with occurring particle-particle and particle-wall contacts, the value of the coefficient of restitution is required. It can be determined experimentally. The coefficient of restitution depends on several parameters like the impact velocity. Especially for fine particles the impact velocity depends on the air pressure and under atmospheric pressure high impact velocities cannot be reached. For this, a new experimental setup for free-fall tests under vacuum conditions is developed. The coefficient of restitution is determined with the impact and rebound velocity which are detected by a high-speed camera. To not hinder the view, the vacuum chamber is made of glass. Also a new release mechanism to drop one single particle under vacuum conditions is constructed. Due to that, all properties of the particle can be characterized beforehand. PMID:27077671
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Drücker, Sven; Krautstrunk, Isabell; Paulick, Maria; Saleh, Khashayar; Morgeneyer, Martin; Kwade, Arno
2016-03-29
The Discrete Element Method is used for the simulation of particulate systems to describe and analyze them, to predict and afterwards optimize their behavior for single stages of a process or even an entire process. For the simulation with occurring particle-particle and particle-wall contacts, the value of the coefficient of restitution is required. It can be determined experimentally. The coefficient of restitution depends on several parameters like the impact velocity. Especially for fine particles the impact velocity depends on the air pressure and under atmospheric pressure high impact velocities cannot be reached. For this, a new experimental setup for free-fall tests under vacuum conditions is developed. The coefficient of restitution is determined with the impact and rebound velocity which are detected by a high-speed camera. To not hinder the view, the vacuum chamber is made of glass. Also a new release mechanism to drop one single particle under vacuum conditions is constructed. Due to that, all properties of the particle can be characterized beforehand.
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NASA Astrophysics Data System (ADS)
Zimmermann, R.; Bente, M.; Sklorz, M.
2007-12-01
Polycyclic aromatic hydrocarbons (PAH) are formed as trace products in combustion processes and are emitted to the atmosphere. Larger PAH have low vapour pressure and are predominantly bound to the ambient fine particulate matter (PM). Upon inhalation, PAH show both, chronic human toxicity (i.e. many PAH are potent carcinogens) as well as acute human toxicity (i.e. inflammatory effects due to oxi-dative stress) and are discussed to be relevant for the observed health effect of ambient PM. Therefore a better understanding of the occurrence, dynamics and particle size dependence of particle bound-PAH is of great interest. On-line aerosol mass spectrometry in principle is the method of choice to investigate the size resolved changes in the chemical speciation of particles as well the status of internal vs. external mixing of chemical constituents. However the present available aerosol mass spectrometers (ATOFMS and AMS) do not allow detection of PAH from ambient air PM. In order to allow a single particle based monitoring of PAH from ambient PM a new single particle laser ionisation mass spectrometer was built and applied. The system is based on ATOFMS principle but uses a two- step photo-ionization. A tracked and sized particle firstly is laser desorbed (LD) by a IR-laser pulse (CO2-laser, λ=10.2 μm) and subsequently the released PAH are selectively ionized by an intense UV-laser pulse (ArF excimer, λ=248 nm) in a resonance enhanced multiphoton ionisation process (REMPI). The PAH-ions are detected in a time of flight mass spectrometer (TOFMS). A virtual impactor enrichment unit is used to increase the detection frequency of the ambient particles. With the current inlet system particles from about 400 nm to 10 μm are accessible. Single particle based temporal profiles of PAH containing particles ion (size distribution and PAH speciation) have been recorded in Oberschleissheim, Germany from ambient air. Furthermore profiles of relevant emission sources (e.g. gasoline and diesel engine, wood combustion) and the obtained chemical profiles were compared with the ones from the ambient PAH containing particles.
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Predicting relationship between magnetostriction and applied field of magnetostrictive composites
NASA Astrophysics Data System (ADS)
Guan, Xinchun; Dong, Xufeng; Ou, Jinping
2008-03-01
Consideration of demagnetization effect, the model used to calculate the magnetostriction of single particle under the applied field is firstly built up. Then treating the magnetostriction particulate as an eigenstrain, based on Eshelby equivalent inclusion and Mori-Tanaka method, the approach to calculate average magnetostriction of the composites under any applied field as well as saturation is studied. Results calculated by the approach indicate that saturation magnetostriction of magnetostrictive composites increases with increasing of particle aspect, particle volume fraction and decreasing of Young' modulus of matrix, and the influence of applied field on magnetostriction of the composites becomes more significant with larger particle volume fraction or particle aspect.
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The local strength of individual alumina particles
NASA Astrophysics Data System (ADS)
Pejchal, Václav; Fornabaio, Marta; Žagar, Goran; Mortensen, Andreas
2017-12-01
We implement the C-shaped sample test method and micro-cantilever beam testing to measure the local strength of microscopic, low-aspect-ratio ceramic particles, namely high-purity vapor grown α-alumina Sumicorundum® particles 15-30 μm in diameter, known to be attractive reinforcing particles for aluminum. Individual particles are shaped by focused ion beam micromachining so as to probe in tension a portion of the particle surface that is left unaffected by ion-milling. Mechanical testing of C-shaped specimens is done ex-situ using a nanoindentation apparatus, and in the SEM using an in-situ nanomechanical testing system for micro-cantilever beams. The strength is evaluated for each individual specimen using bespoke finite element simulation. Results show that, provided the particle surface is free of readily observable defects such as pores, twins or grain boundaries and their associated grooves, the particles can achieve local strength values that approach those of high-perfection single-crystal alumina whiskers, on the order of 10 GPa, outperforming high-strength nanocrystalline alumina fibers and nano-thick alumina platelets used in bio-inspired composites. It is also shown that by far the most harmful defects are grain boundaries, leading to the general conclusion that alumina particles must be single-crystalline or alternatively nanocrystalline to fully develop their potential as a strong reinforcing phase in composite materials.
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Shaikh, Tanvir R; Gao, Haixiao; Baxter, William T; Asturias, Francisco J; Boisset, Nicolas; Leith, Ardean; Frank, Joachim
2009-01-01
This protocol describes the reconstruction of biological molecules from the electron micrographs of single particles. Computation here is performed using the image-processing software SPIDER and can be managed using a graphical user interface, termed the SPIDER Reconstruction Engine. Two approaches are described to obtain an initial reconstruction: random-conical tilt and common lines. Once an existing model is available, reference-based alignment can be used, a procedure that can be iterated. Also described is supervised classification, a method to look for homogeneous subsets when multiple known conformations of the molecule may coexist. PMID:19180078
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Parrish, Robert M.; Sherrill, C. David, E-mail: sherrill@gatech.edu; Hohenstein, Edward G.
2014-05-14
We apply orbital-weighted least-squares tensor hypercontraction decomposition of the electron repulsion integrals to accelerate the coupled cluster singles and doubles (CCSD) method. Using accurate and flexible low-rank factorizations of the electron repulsion integral tensor, we are able to reduce the scaling of the most vexing particle-particle ladder term in CCSD from O(N{sup 6}) to O(N{sup 5}), with remarkably low error. Combined with a T{sub 1}-transformed Hamiltonian, this leads to substantial practical accelerations against an optimized density-fitted CCSD implementation.
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Towards reconstitution of membrane fusion mediated by SNAREs and other synaptic proteins
Brunger, Axel T.; Cipriano, Daniel J.; Diao, Jiajie
2015-01-01
Abstract Proteoliposomes have been widely used for in vitro studies of membrane fusion mediated by synaptic proteins. Initially, such studies were made with large unsynchronized ensembles of vesicles. Such ensemble assays limited the insights into the SNARE-mediated fusion mechanism that could be obtained from them. Single particle microscopy experiments can alleviate many of these limitations but they pose significant technical challenges. Here we summarize various approaches that have enabled studies of fusion mediated by SNAREs and other synaptic proteins at a single-particle level. Currently available methods are described and their advantages and limitations are discussed. PMID:25788028
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NASA Astrophysics Data System (ADS)
Stegmann, Patrick G.; Tang, Guanglin; Yang, Ping; Johnson, Benjamin T.
2018-05-01
A structural model is developed for the single-scattering properties of snow and graupel particles with a strongly heterogeneous morphology and an arbitrary variable mass density. This effort is aimed to provide a mechanism to consider particle mass density variation in the microwave scattering coefficients implemented in the Community Radiative Transfer Model (CRTM). The stochastic model applies a bicontinuous random medium algorithm to a simple base shape and uses the Finite-Difference-Time-Domain (FDTD) method to compute the single-scattering properties of the resulting complex morphology.
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Photoacoustic-Based Multimodal Nanoprobes: from Constructing to Biological Applications.
Gao, Duyang; Yuan, Zhen
2017-01-01
Multimodal nanoprobes have attracted intensive attentions since they can integrate various imaging modalities to obtain complementary merits of single modality. Meanwhile, recent interest in laser-induced photoacoustic imaging is rapidly growing due to its unique advantages in visualizing tissue structure and function with high spatial resolution and satisfactory imaging depth. In this review, we summarize multimodal nanoprobes involving photoacoustic imaging. In particular, we focus on the method to construct multimodal nanoprobes. We have divided the synthetic methods into two types. First, we call it "one for all" concept, which involves intrinsic properties of the element in a single particle. Second, "all in one" concept, which means integrating different functional blocks in one particle. Then, we simply introduce the applications of the multifunctional nanoprobes for in vivo imaging and imaging-guided tumor therapy. At last, we discuss the advantages and disadvantages of the present methods to construct the multimodal nanoprobes and share our viewpoints in this area.
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Nogal, Bartek; Bowman, Charles A; Ward, Andrew B
2017-11-24
Several biophysical approaches are available to study protein-protein interactions. Most approaches are conducted in bulk solution, and are therefore limited to an average measurement of the ensemble of molecular interactions. Here, we show how single-particle EM can enrich our understanding of protein-protein interactions at the single-molecule level and potentially capture states that are unobservable with ensemble methods because they are below the limit of detection or not conducted on an appropriate time scale. Using the HIV-1 envelope glycoprotein (Env) and its interaction with receptor CD4-binding site neutralizing antibodies as a model system, we both corroborate ensemble kinetics-derived parameters and demonstrate how time-course EM can further dissect stoichiometric states of complexes that are not readily observable with other methods. Visualization of the kinetics and stoichiometry of Env-antibody complexes demonstrated the applicability of our approach to qualitatively and semi-quantitatively differentiate two highly similar neutralizing antibodies. Furthermore, implementation of machine-learning techniques for sorting class averages of these complexes into discrete subclasses of particles helped reduce human bias. Our data provide proof of concept that single-particle EM can be used to generate a "visual" kinetic profile that should be amenable to studying many other protein-protein interactions, is relatively simple and complementary to well-established biophysical approaches. Moreover, our method provides critical insights into broadly neutralizing antibody recognition of Env, which may inform vaccine immunogen design and immunotherapeutic development. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.
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NASA Astrophysics Data System (ADS)
Wu, Long; Chen, Lei; Wang, Hao; Liu, Xiaoyu; Wang, Zhen
2017-04-01
As many emergent phenomena of superconductivity appear on a smaller scale and at lower dimension, commercial magnetic property measurement systems (MPMSs) no longer provide the sensitivity necessary to study the Meissner effect of small superconductors. The nano-scale superconducting quantum interference device (nano-SQUID) is considered one of the most sensitive magnetic sensors for the magnetic characterization of mesoscopic or microscopic samples. Here, we develop a customized on-chip nano-SQUID measurement system based on a pulsed current biasing method. The noise performance of our system is approximately 4.6 × 10-17 emu/Hz1/2, representing an improvement of 9 orders of magnitude compared with that of a commercial MPMS (~10-8 emu/Hz1/2). Furthermore, we demonstrate the measurement of the Meissner effect of a single indium (In) particle (of 47 μm in diameter) using our on-chip nano-SQUID system. The system enables the observation of the prompt superconducting transition of the Meissner effect of a single In particle, thereby providing more accurate characterization of the critical field Hc and temperature Tc. In addition, the retrapping field Hre as a function of temperature T of single In particle shows disparate behavior from that of a large ensemble.
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Routine single particle CryoEM sample and grid characterization by tomography
Noble, Alex J; Brasch, Julia; Chase, Jillian; Acharya, Priyamvada; Tan, Yong Zi; Zhang, Zhening; Kim, Laura Y; Scapin, Giovanna; Rapp, Micah; Eng, Edward T; Rice, William J; Cheng, Anchi; Negro, Carl J; Shapiro, Lawrence; Kwong, Peter D; Jeruzalmi, David; des Georges, Amedee; Potter, Clinton S
2018-01-01
Single particle cryo-electron microscopy (cryoEM) is often performed under the assumption that particles are not adsorbed to the air-water interfaces and in thin, vitreous ice. In this study, we performed fiducial-less tomography on over 50 different cryoEM grid/sample preparations to determine the particle distribution within the ice and the overall geometry of the ice in grid holes. Surprisingly, by studying particles in holes in 3D from over 1000 tomograms, we have determined that the vast majority of particles (approximately 90%) are adsorbed to an air-water interface. The implications of this observation are wide-ranging, with potential ramifications regarding protein denaturation, conformational change, and preferred orientation. We also show that fiducial-less cryo-electron tomography on single particle grids may be used to determine ice thickness, optimal single particle collection areas and strategies, particle heterogeneity, and de novo models for template picking and single particle alignment. PMID:29809143
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The single scattering properties of the aerosol particles as aggregated spheres
NASA Astrophysics Data System (ADS)
Wu, Y.; Gu, X.; Cheng, T.; Xie, D.; Yu, T.; Chen, H.; Guo, J.
2012-08-01
The light scattering and absorption properties of anthropogenic aerosol particles such as soot aggregates are complicated in the temporal and spatial distribution, which introduce uncertainty of radiative forcing on global climate change. In order to study the single scattering properties of anthorpogenic aerosol particles, the structures of these aerosols such as soot paticles and soot-containing mixtures with the sulfate or organic matter, are simulated using the parallel diffusion limited aggregation algorithm (DLA) based on the transmission electron microscope images (TEM). Then, the single scattering properties of randomly oriented aerosols, such as scattering matrix, single scattering albedo (SSA), and asymmetry parameter (AP), are computed using the superposition T-matrix method. The comparisons of the single scattering properties of these specific types of clusters with different morphological and chemical factors such as fractal parameters, aspect ratio, monomer radius, mixture mode and refractive index, indicate that these different impact factors can respectively generate the significant influences on the single scattering properties of these aerosols. The results show that aspect ratio of circumscribed shape has relatively small effect on single scattering properties, for both differences of SSA and AP are less than 0.1. However, mixture modes of soot clusters with larger sulfate particles have remarkably important effects on the scattering and absorption properties of aggregated spheres, and SSA of those soot-containing mixtures are increased in proportion to the ratio of larger weakly absorbing attachments. Therefore, these complex aerosols come from man made pollution cannot be neglected in the aerosol retrievals. The study of the single scattering properties on these kinds of aggregated spheres is important and helpful in remote sensing observations and atmospheric radiation balance computations.
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NASA Astrophysics Data System (ADS)
Shi, Shengxian; Ding, Junfei; New, T. H.; Soria, Julio
2017-07-01
This paper presents a dense ray tracing reconstruction technique for a single light-field camera-based particle image velocimetry. The new approach pre-determines the location of a particle through inverse dense ray tracing and reconstructs the voxel value using multiplicative algebraic reconstruction technique (MART). Simulation studies were undertaken to identify the effects of iteration number, relaxation factor, particle density, voxel-pixel ratio and the effect of the velocity gradient on the performance of the proposed dense ray tracing-based MART method (DRT-MART). The results demonstrate that the DRT-MART method achieves higher reconstruction resolution at significantly better computational efficiency than the MART method (4-50 times faster). Both DRT-MART and MART approaches were applied to measure the velocity field of a low speed jet flow which revealed that for the same computational cost, the DRT-MART method accurately resolves the jet velocity field with improved precision, especially for the velocity component along the depth direction.
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GPU acceleration of particle-in-cell methods
NASA Astrophysics Data System (ADS)
Cowan, Benjamin; Cary, John; Meiser, Dominic
2015-11-01
Graphics processing units (GPUs) have become key components in many supercomputing systems, as they can provide more computations relative to their cost and power consumption than conventional processors. However, to take full advantage of this capability, they require a strict programming model which involves single-instruction multiple-data execution as well as significant constraints on memory accesses. To bring the full power of GPUs to bear on plasma physics problems, we must adapt the computational methods to this new programming model. We have developed a GPU implementation of the particle-in-cell (PIC) method, one of the mainstays of plasma physics simulation. This framework is highly general and enables advanced PIC features such as high order particles and absorbing boundary conditions. The main elements of the PIC loop, including field interpolation and particle deposition, are designed to optimize memory access. We describe the performance of these algorithms and discuss some of the methods used. Work supported by DARPA contract W31P4Q-15-C-0061 (SBIR).
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Restrepo, John F; Garcia-Sucerquia, Jorge
2012-02-15
We present an automatic procedure for 3D tracking of micrometer-sized particles with high-NA digital lensless holographic microscopy. The method uses a two-feature approach to search for the best focal planes and to distinguish particles from artifacts or other elements on the reconstructed stream of the holograms. A set of reconstructed images is axially projected onto a single image. From the projected image, the centers of mass of all the reconstructed elements are identified. Starting from the centers of mass, the morphology of the profile of the maximum intensity along the reconstruction direction allows for the distinguishing of particles from others elements. The method is tested with modeled holograms and applied to automatically track micrometer-sized bubbles in a sample of 4 mm3 of soda.
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Proceedings of the 14th International Conference on the Numerical Simulation of Plasmas
NASA Astrophysics Data System (ADS)
Partial Contents are as follows: Numerical Simulations of the Vlasov-Maxwell Equations by Coupled Particle-Finite Element Methods on Unstructured Meshes; Electromagnetic PIC Simulations Using Finite Elements on Unstructured Grids; Modelling Travelling Wave Output Structures with the Particle-in-Cell Code CONDOR; SST--A Single-Slice Particle Simulation Code; Graphical Display and Animation of Data Produced by Electromagnetic, Particle-in-Cell Codes; A Post-Processor for the PEST Code; Gray Scale Rendering of Beam Profile Data; A 2D Electromagnetic PIC Code for Distributed Memory Parallel Computers; 3-D Electromagnetic PIC Simulation on the NRL Connection Machine; Plasma PIC Simulations on MIMD Computers; Vlasov-Maxwell Algorithm for Electromagnetic Plasma Simulation on Distributed Architectures; MHD Boundary Layer Calculation Using the Vortex Method; and Eulerian Codes for Plasma Simulations.
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Numerical simulation for the air entrainment of aerated flow with an improved multiphase SPH model
NASA Astrophysics Data System (ADS)
Wan, Hang; Li, Ran; Pu, Xunchi; Zhang, Hongwei; Feng, Jingjie
2017-11-01
Aerated flow is a complex hydraulic phenomenon that exists widely in the field of environmental hydraulics. It is generally characterised by large deformation and violent fragmentation of the free surface. Compared to Euler methods (volume of fluid (VOF) method or rigid-lid hypothesis method), the existing single-phase Smooth Particle Hydrodynamics (SPH) method has performed well for solving particle motion. A lack of research on interphase interaction and air concentration, however, has affected the application of SPH model. In our study, an improved multiphase SPH model is presented to simulate aeration flows. A drag force was included in the momentum equation to ensure accuracy of the air particle slip velocity. Furthermore, a calculation method for air concentration is developed to analyse the air entrainment characteristics. Two studies were used to simulate the hydraulic and air entrainment characteristics. And, compared with the experimental results, the simulation results agree with the experimental results well.
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Application of the top-on-top model to 135Pr
NASA Astrophysics Data System (ADS)
Sugawara-Tanabe, Kazuko; Tanabe, Kosai
2017-09-01
It is proved that the Holstein-Primakoff (HP) boson expansion method is very effective for a case where both total and single-particle angular momenta have the diagonal representation along the same direction. The algebraic solution is described by two kinds of quantum numbers classifying the rotational band’s characteristic of the particle-rotor model. One is related with the wobbling motion of the rotor, and the other to the precession of the single-particle angular momentum. Employing angular-momentum dependent rigid (rig) moments of inertia (MoI), which simulate Coriolis anti-pairing effect based on the constrained self-consistent Hartree-Fock-Bogoliubov (HFB) equation, we obtain good fitting not only to the energy-level scheme, but also to the electromagnetic transition rates and the mixing ratio for 135Pr.
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Numerical study of the vortex tube reconnection using vortex particle method on many graphics cards
NASA Astrophysics Data System (ADS)
Kudela, Henryk; Kosior, Andrzej
2014-08-01
Vortex Particle Methods are one of the most convenient ways of tracking the vorticity evolution. In the article we presented numerical recreation of the real life experiment concerning head-on collision of two vortex rings. In the experiment the evolution and reconnection of the vortex structures is tracked with passive markers (paint particles) which in viscous fluid does not follow the evolution of vorticity field. In numerical computations we showed the difference between vorticity evolution and movement of passive markers. The agreement with the experiment was very good. Due to problems with very long time of computations on a single processor the Vortex-in-Cell method was implemented on the multicore architecture of the graphics cards (GPUs). Vortex Particle Methods are very well suited for parallel computations. As there are myriads of particles in the flow and for each of them the same equations of motion have to be solved the SIMD architecture used in GPUs seems to be perfect. The main disadvantage in this case is the small amount of the RAM memory. To overcome this problem we created a multiGPU implementation of the VIC method. Some remarks on parallel computing are given in the article.
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NASA Technical Reports Server (NTRS)
Chou, Ming-Dah; Lee, Kyu-Tae; Yang, Ping; Lau, William K. M. (Technical Monitor)
2002-01-01
Based on the single-scattering optical properties that are pre-computed using an improve geometric optics method, the bulk mass absorption coefficient, single-scattering albedo, and asymmetry factor of ice particles have been parameterized as a function of the mean effective particle size of a mixture of ice habits. The parameterization has been applied to compute fluxes for sample clouds with various particle size distributions and assumed mixtures of particle habits. Compared to the parameterization for a single habit of hexagonal column, the solar heating of clouds computed with the parameterization for a mixture of habits is smaller due to a smaller cosingle-scattering albedo. Whereas the net downward fluxes at the TOA and surface are larger due to a larger asymmetry factor. The maximum difference in the cloud heating rate is approx. 0.2 C per day, which occurs in clouds with an optical thickness greater than 3 and the solar zenith angle less than 45 degrees. Flux difference is less than 10 W per square meters for the optical thickness ranging from 0.6 to 10 and the entire range of the solar zenith angle. The maximum flux difference is approximately 3%, which occurs around an optical thickness of 1 and at high solar zenith angles.
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An integral equation formulation for rigid bodies in Stokes flow in three dimensions
NASA Astrophysics Data System (ADS)
Corona, Eduardo; Greengard, Leslie; Rachh, Manas; Veerapaneni, Shravan
2017-03-01
We present a new derivation of a boundary integral equation (BIE) for simulating the three-dimensional dynamics of arbitrarily-shaped rigid particles of genus zero immersed in a Stokes fluid, on which are prescribed forces and torques. Our method is based on a single-layer representation and leads to a simple second-kind integral equation. It avoids the use of auxiliary sources within each particle that play a role in some classical formulations. We use a spectrally accurate quadrature scheme to evaluate the corresponding layer potentials, so that only a small number of spatial discretization points per particle are required. The resulting discrete sums are computed in O (n) time, where n denotes the number of particles, using the fast multipole method (FMM). The particle positions and orientations are updated by a high-order time-stepping scheme. We illustrate the accuracy, conditioning and scaling of our solvers with several numerical examples.
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On geometric factors for neutral particle analyzers
DOE Office of Scientific and Technical Information (OSTI.GOV)
Stagner, L.; Heidbrink, W. W.
2014-11-15
Neutral particle analyzers (NPA) detect neutralized energetic particles that escape from plasmas. Geometric factors relate the counting rate of the detectors to the intensity of the particle source. Accurate geometric factors enable quick simulation of geometric effects without the need to resort to slower Monte Carlo methods. Previously derived expressions [G. R. Thomas and D. M. Willis, “Analytical derivation of the geometric factor of a particle detector having circular or rectangular geometry,” J. Phys. E: Sci. Instrum. 5(3), 260 (1972); J. D. Sullivan, “Geometric factor and directional response of single and multi-element particle telescopes,” Nucl. Instrum. Methods 95(1), 5–11 (1971)]more » for the geometric factor implicitly assume that the particle source is very far away from the detector (far-field); this excludes applications close to the detector (near-field). The far-field assumption does not hold in most fusion applications of NPA detectors. We derive, from probability theory, a generalized framework for deriving geometric factors that are valid for both near and far-field applications as well as for non-isotropic sources and nonlinear particle trajectories.« less
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Single file diffusion into a semi-infinite tube.
Farrell, Spencer G; Brown, Aidan I; Rutenberg, Andrew D
2015-11-23
We investigate single file diffusion (SFD) of large particles entering a semi-infinite tube, such as luminal diffusion of proteins into microtubules or flagella. While single-file effects have no impact on the evolution of particle density, we report significant single-file effects for individually tracked tracer particle motion. Both exact and approximate ordering statistics of particles entering semi-infinite tubes agree well with our stochastic simulations. Considering initially empty semi-infinite tubes, with particles entering at one end starting from an initial time t = 0, tracked particles are initially super-diffusive after entering the system, but asymptotically diffusive at later times. For finite time intervals, the ratio of the net displacement of individual single-file particles to the average displacement of untracked particles is reduced at early times and enhanced at later times. When each particle is numbered, from the first to enter (n = 1) to the most recent (n = N), we find good scaling collapse of this distance ratio for all n. Experimental techniques that track individual particles, or local groups of particles, such as photo-activation or photobleaching of fluorescently tagged proteins, should be able to observe these single-file effects. However, biological phenomena that depend on local concentration, such as flagellar extension or luminal enzymatic activity, should not exhibit single-file effects.
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Interplay between plasmon and single-particle excitations in a metal nanocluster
Ma, Jie; Wang, Zhi; Wang, Lin-Wang
2015-12-17
Plasmon-generated hot carriers are used in photovoltaic or photochemical applications. However, the interplays between the plasmon and single-particle excitations in nanosystems have not been theoretically addressed using ab initio methods. Here we show such interplays in a Ag 55 nanocluster using real-time time-dependent density functional theory simulations. We find that the disappearance of the zero-frequency peak in the Fourier transform of the band-to-band transition coefficient is a hallmark of the plasmon. We show the importance of the d-states for hot-carrier generations. If the single-particle d-to-s excitations are resonant to the plasmon frequency, the majority of the plasmon energy will bemore » converted into hot carriers, and the overall hot-carrier generation is enhanced by the plasmon; if such resonance does not exist, we observe an intriguing Rabi oscillation between the plasmon and hot carriers. Phonons play a minor role in plasmonic dynamics in such small systems. Ultimately, this study provides guidance on improving plasmonic applications.« less
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Unsupervised Cryo-EM Data Clustering through Adaptively Constrained K-Means Algorithm
Xu, Yaofang; Wu, Jiayi; Yin, Chang-Cheng; Mao, Youdong
2016-01-01
In single-particle cryo-electron microscopy (cryo-EM), K-means clustering algorithm is widely used in unsupervised 2D classification of projection images of biological macromolecules. 3D ab initio reconstruction requires accurate unsupervised classification in order to separate molecular projections of distinct orientations. Due to background noise in single-particle images and uncertainty of molecular orientations, traditional K-means clustering algorithm may classify images into wrong classes and produce classes with a large variation in membership. Overcoming these limitations requires further development on clustering algorithms for cryo-EM data analysis. We propose a novel unsupervised data clustering method building upon the traditional K-means algorithm. By introducing an adaptive constraint term in the objective function, our algorithm not only avoids a large variation in class sizes but also produces more accurate data clustering. Applications of this approach to both simulated and experimental cryo-EM data demonstrate that our algorithm is a significantly improved alterative to the traditional K-means algorithm in single-particle cryo-EM analysis. PMID:27959895
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Unsupervised Cryo-EM Data Clustering through Adaptively Constrained K-Means Algorithm.
Xu, Yaofang; Wu, Jiayi; Yin, Chang-Cheng; Mao, Youdong
2016-01-01
In single-particle cryo-electron microscopy (cryo-EM), K-means clustering algorithm is widely used in unsupervised 2D classification of projection images of biological macromolecules. 3D ab initio reconstruction requires accurate unsupervised classification in order to separate molecular projections of distinct orientations. Due to background noise in single-particle images and uncertainty of molecular orientations, traditional K-means clustering algorithm may classify images into wrong classes and produce classes with a large variation in membership. Overcoming these limitations requires further development on clustering algorithms for cryo-EM data analysis. We propose a novel unsupervised data clustering method building upon the traditional K-means algorithm. By introducing an adaptive constraint term in the objective function, our algorithm not only avoids a large variation in class sizes but also produces more accurate data clustering. Applications of this approach to both simulated and experimental cryo-EM data demonstrate that our algorithm is a significantly improved alterative to the traditional K-means algorithm in single-particle cryo-EM analysis.
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Interplay between plasmon and single-particle excitations in a metal nanocluster
Ma, Jie; Wang, Zhi; Wang, Lin-Wang
2015-01-01
Plasmon-generated hot carriers are used in photovoltaic or photochemical applications. However, the interplays between the plasmon and single-particle excitations in nanosystems have not been theoretically addressed using ab initio methods. Here we show such interplays in a Ag55 nanocluster using real-time time-dependent density functional theory simulations. We find that the disappearance of the zero-frequency peak in the Fourier transform of the band-to-band transition coefficient is a hallmark of the plasmon. We show the importance of the d-states for hot-carrier generations. If the single-particle d-to-s excitations are resonant to the plasmon frequency, the majority of the plasmon energy will be converted into hot carriers, and the overall hot-carrier generation is enhanced by the plasmon; if such resonance does not exist, we observe an intriguing Rabi oscillation between the plasmon and hot carriers. Phonons play a minor role in plasmonic dynamics in such small systems. This study provides guidance on improving plasmonic applications. PMID:26673449
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NASA Astrophysics Data System (ADS)
Baran, Anthony J.; Ishimoto, Hiroshi; Sourdeval, Odran; Hesse, Evelyn; Harlow, Chawn
2018-02-01
The bulk single-scattering properties of various randomly oriented aggregate ice crystal models are compared and contrasted at a number of frequencies between 89 and 874 GHz. The model ice particles consist of the ten-branched plate aggregate, five-branched plate aggregate, eight-branched hexagonal aggregate, Voronoi ice aggregate, six-branched hollow bullet rosette, hexagonal column of aspect ratio unity, and the ten-branched hexagonal aggregate. The bulk single-scattering properties of the latter two ice particle models have been calculated using the light scattering methods described in Part I, which represent the two most extreme members of an ensemble model of cirrus ice crystals. In Part I, it was shown that the method of physical optics could be combined with the T-matrix at a size parameter of about 18 to compute the bulk integral ice optical properties and the phase function in the microwave to sufficient accuracy to be of practical value. Here, the bulk single-scattering properties predicted by the two ensemble model members and the Voronoi model are shown to generally bound those of all other models at frequencies between 89 and 874 GHz, thus representing a three-component model of ice cloud that can be generally applied to the microwave, rather than using many differing ice particle models. Moreover, the Voronoi model and hollow bullet rosette scatter similarly to each other in the microwave. Furthermore, from the various comparisons, the importance of assumed shapes of the particle size distribution as well as cm-sized ice aggregates is demonstrated.
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Robust model-based analysis of single-particle tracking experiments with Spot-On
Grimm, Jonathan B; Lavis, Luke D
2018-01-01
Single-particle tracking (SPT) has become an important method to bridge biochemistry and cell biology since it allows direct observation of protein binding and diffusion dynamics in live cells. However, accurately inferring information from SPT studies is challenging due to biases in both data analysis and experimental design. To address analysis bias, we introduce ‘Spot-On’, an intuitive web-interface. Spot-On implements a kinetic modeling framework that accounts for known biases, including molecules moving out-of-focus, and robustly infers diffusion constants and subpopulations from pooled single-molecule trajectories. To minimize inherent experimental biases, we implement and validate stroboscopic photo-activation SPT (spaSPT), which minimizes motion-blur bias and tracking errors. We validate Spot-On using experimentally realistic simulations and show that Spot-On outperforms other methods. We then apply Spot-On to spaSPT data from live mammalian cells spanning a wide range of nuclear dynamics and demonstrate that Spot-On consistently and robustly infers subpopulation fractions and diffusion constants. PMID:29300163
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Robust model-based analysis of single-particle tracking experiments with Spot-On.
Hansen, Anders S; Woringer, Maxime; Grimm, Jonathan B; Lavis, Luke D; Tjian, Robert; Darzacq, Xavier
2018-01-04
Single-particle tracking (SPT) has become an important method to bridge biochemistry and cell biology since it allows direct observation of protein binding and diffusion dynamics in live cells. However, accurately inferring information from SPT studies is challenging due to biases in both data analysis and experimental design. To address analysis bias, we introduce 'Spot-On', an intuitive web-interface. Spot-On implements a kinetic modeling framework that accounts for known biases, including molecules moving out-of-focus, and robustly infers diffusion constants and subpopulations from pooled single-molecule trajectories. To minimize inherent experimental biases, we implement and validate stroboscopic photo-activation SPT (spaSPT), which minimizes motion-blur bias and tracking errors. We validate Spot-On using experimentally realistic simulations and show that Spot-On outperforms other methods. We then apply Spot-On to spaSPT data from live mammalian cells spanning a wide range of nuclear dynamics and demonstrate that Spot-On consistently and robustly infers subpopulation fractions and diffusion constants. © 2018, Hansen et al.
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Aiken, Allison C.; McMeeking, Gavin R.; Levin, Ezra J. T.; ...
2016-04-05
Refractory black carbon (rBC) is an aerosol that has important impacts on climate and human health. rBC is often mixed with other species, making it difficult to isolate and quantify its important effects on physical and optical properties of ambient aerosol. To solve this measurement challenge, a new method to remove rBC was developed using laser-induced incandescence (LII) by Levin et al. in 2014. Application of the method with the Single Particle Soot Photometer (SP2) is used to determine the effects of rBC on ice nucleating particles (INP). Here, we quantify the efficacy of the method in the laboratory usingmore » the rBC surrogate Aquadag. Polydisperse and mobility-selected samples (100–500 nm diameter, 0.44–36.05 fg), are quantified by a second SP2. Removal rates are reported by mass and number. For the mobility-selected samples, the average percentages removed by mass and number of the original size are 88.9 ± 18.6% and 87.3 ± 21.9%, respectively. Removal of Aquadag is efficient for particles >100 nm mass-equivalent diameter (d me), enabling application for microphysical studies. However, the removal of particles ≤100 nm d me is less efficient. Absorption and scattering measurements are reported to assess its use to isolate brown carbon (BrC) absorption. Scattering removal rates for the mobility-selected samples are >90% on average, yet absorption rates are 53% on average across all wavelengths. Therefore, application to isolate effects of microphysical properties determined by larger sizes is promising, but will be challenging for optical properties. Lastly, the results reported also have implications for other instruments employing internal LII, e.g., the Soot Particle Aerosol Mass Spectrometer (SP-AMS).« less
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Development of Modeling and Simulation for Magnetic Particle Inspection Using Finite Elements
DOE Office of Scientific and Technical Information (OSTI.GOV)
Lee, Jun-Youl
2003-01-01
Magnetic particle inspection (MPI) is a widely used nondestructive inspection method for aerospace applications essentially limited to experiment-based approaches. The analysis of MPI characteristics that affect sensitivity and reliability contributes not only reductions in inspection design cost and time but also improvement of analysis of experimental data. Magnetic particles are easily attracted toward a high magnetic field gradient. Selection of a magnetic field source, which produces a magnetic field gradient large enough to detect a defect in a test sample or component, is an important factor in magnetic particle inspection. In this work a finite element method (FEM) has beenmore » employed for numerical calculation of the MPI simulation technique. The FEM method is known to be suitable for complicated geometries such as defects in samples. This thesis describes the research that is aimed at providing a quantitative scientific basis for magnetic particle inspection. A new FEM solver for MPI simulation has been developed in this research for not only nonlinear reversible permeability materials but also irreversible hysteresis materials that are described by the Jiles-Atherton model. The material is assumed to have isotropic ferromagnetic properties in this research (i.e., the magnetic properties of the material are identical in all directions in a single crystal). In the research, with a direct current field mode, an MPI situation has been simulated to measure the estimated volume of magnetic particles around defect sites before and after removing any external current fields. Currently, this new MPI simulation package is limited to solving problems with the single current source from either a solenoid or an axial directional current rod.« less
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Houlne, Michael P; Sjostrom, Christopher M; Uibel, Rory H; Kleimeyer, James A; Harris, Joel M
2002-09-01
Optical trapping of small structures is a powerful tool for the manipulation and investigation of colloidal and particulate materials. The tight focus excitation requirements of optical trapping are well suited to confocal Raman microscopy. In this work, an inverted confocal Raman microscope is developed for studies of chemical reactions on single, optically trapped particles and applied to reactions used in solid-phase peptide synthesis. Optical trapping and levitation allow a particle to be moved away from the coverslip and into solution, avoiding fluorescence interference from the coverslip. More importantly, diffusion of reagents into the particle is not inhibited by a surface, so that reaction conditions mimic those of particles dispersed in solution. Optical trapping and levitation also maintain optical alignment, since the particle is centered laterally along the optical axis and within the focal plane of the objective, where both optical forces and light collection are maximized. Hour-long observations of chemical reactions on individual, trapped silica particles are reported. Using two-dimensional least-squares analysis methods, the Raman spectra collected during the course of a reaction can be resolved into component contributions. The resolved spectra of the time-varying species can be observed, as they bind to or cleave from the particle surface.
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Smirnov, Asya; Solga, Michael D; Lannigan, Joanne; Criss, Alison K
2015-08-01
Recognition, binding, internalization, and elimination of pathogens and cell debris are important functions of professional as well as non-professional phagocytes. However, high-throughput methods for quantifying cell-associated particles and discriminating bound from internalized particles have been lacking. Here we describe a protocol for using imaging flow cytometry to quantify the attached and phagocytosed particles that are associated with a population of cells. Cells were exposed to fluorescent particles, fixed, and exposed to an antibody of a different fluorophore that recognizes the particles. The antibody is added without cell permeabilization, such that the antibody only binds extracellular particles. Cells with and without associated particles were identified by imaging flow cytometry. For each cell with associated particles, a spot count algorithm was employed to quantify the number of extracellular (double fluorescent) and intracellular (single fluorescent) particles per cell, from which the percent particle internalization was determined. The spot count algorithm was empirically validated by examining the fluorescence and phase contrast images acquired by the flow cytometer. We used this protocol to measure binding and internalization of the bacterium Neisseria gonorrhoeae by primary human neutrophils, using different bacterial variants and under different cellular conditions. The results acquired using imaging flow cytometry agreed with findings that were previously obtained using conventional immunofluorescence microscopy. This protocol provides a rapid, powerful method for measuring the association and internalization of any particle by any cell type. Copyright © 2015 Elsevier B.V. All rights reserved.
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How Actuated Particles Effectively Capture Biomolecular Targets
2017-01-01
Because of their high surface-to-volume ratio and adaptable surface functionalization, particles are widely used in bioanalytical methods to capture molecular targets. In this article, a comprehensive study is reported of the effectiveness of protein capture by actuated magnetic particles. Association rate constants are quantified in experiments as well as in Brownian dynamics simulations for different particle actuation configurations. The data reveal how the association rate depends on the particle velocity, particle density, and particle assembly characteristics. Interestingly, single particles appear to exhibit target depletion zones near their surface, caused by the high density of capture molecules. The depletion effects are even more limiting in cases with high particle densities. The depletion effects are overcome and protein capture rates are enhanced by applying dynamic particle actuation, resulting in an increase in the association rate constants by up to 2 orders of magnitude. PMID:28192952
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Bead-Based Microfluidic Sediment Analogues: Fabrication and Colloid Transport.
Guo, Yang; Huang, Jingwei; Xiao, Feng; Yin, Xiaolong; Chun, Jaehun; Um, Wooyong; Neeves, Keith B; Wu, Ning
2016-09-13
Mobile colloids can act as carriers for low-solubility contaminants in the environment. However, the dominant mechanism for this colloid-facilitated transport of chemicals is unclear. Therefore, we developed a bead-based microfluidic platform of sediment analogues and measured both single and population transport of model colloids. The porous medium is assembled through a bead-by-bead injection method. This approach has the versatility to build both electrostatically homogeneous and heterogeneous media at the pore scale. A T-junction at the exit also allowed for encapsulation and enumeration of colloids effluent at single particle resolution to give population dynamics. Tortuosity calculated from pore-scale trajectory analysis and its comparison with lattice Boltzmann simulations revealed that transport of colloids was influenced by the size exclusion effect. The porous media packed by positively and negatively charged beads into two layers showed distinctive colloidal particle retention and significant remobilization and re-adsorption of particles during water flushing. We demonstrated the potential of our method to fabricate porous media with surface heterogeneities at the pore scale. With both single and population dynamics measurement, our platform has the potential to connect pore-scale and macroscale colloid transport on a lab scale and to quantify the impact of grain surface heterogeneities that are natural in the subsurface environment.
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Particle-hole symmetry in many-body theories of electron correlation
NASA Astrophysics Data System (ADS)
Kats, Daniel; Usvyat, Denis; Manby, Frederick R.
2018-06-01
Second-quantised creation and annihilation operators for fermionic particles anticommute, but the same is true for the creation and annihilation operators for holes. This introduces a symmetry into the quantum theory of fermions that is absent for bosons. In ab initio electronic structure theory, it is common to classify methods by the number of electrons for which the method returns exact results: for example Hartree-Fock theory is exact for one-electron systems, whereas coupled-cluster theory with single and double excitations is exact for two-electron systems. Here, we discuss the generalisation: methods based on approximate wavefunctions that are exact for n-particle systems are also exact for n-hole systems. Novel electron correlation methods that attempt to improve on the coupled-cluster framework sometimes retain this property, and sometimes lose it. Here, we argue for retaining particle-hole symmetry as a desirable design criterion of approximate electron correlation methods. Dispensing with it might lead to loss of n-representability of density matrices, and this in turn can lead to spurious long-range behaviour in the correlation energy.
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Simulations of Model Microswimmers with Fully Resolved Hydrodynamics
NASA Astrophysics Data System (ADS)
Oyama, Norihiro; Molina, John J.; Yamamoto, Ryoichi
2017-10-01
Swimming microorganisms, which include bacteria, algae, and spermatozoa, play a fundamental role in most biological processes. These swimmers are a special type of active particle, that continuously convert local energy into propulsive forces, thereby allowing them to move through their surrounding fluid medium. While the size, shape, and propulsion mechanism vary from one organism to the next, they share certain general characteristics: they exhibit force-free motion and they swim at a small Reynolds number. To study the dynamics of such systems, we use the squirmer model, which provides an ideal representation of swimmers as spheroidal particles that propel owing to a modified boundary condition at their surface. We have considered the single-particle and many-particle dynamics of swimmers in bulk and confined systems using the smoothed profile method, which allows us to efficiently solve the coupled particle-fluid problem. For the single-particle dynamics, we studied the diffusive behavior caused by the swimming of the particles. At short-time scales, the diffusion is caused by the hydrodynamic interactions, whereas at long-time scales, it is determined by the particle-particle collisions. Thus, the short-time diffusion will be the same for both swimmers and inert tracer particles. We then investigated the dynamics of confined microswimmers using cylindrical and parallel-plate confining walls. For the cylindrical confinement, we find evidence of an order/disorder phase transition which depends on the specific type of swimmers and the size of the cylinder. Under parallel-plane walls, some swimmers exhibit wavelike modes, which lead to traveling density waves that bounce back and forth between the walls. From an analysis of the bulk systems, we can show that this wavelike motion can be understood as a pseudoacoustic mode and is a consequence of the intrinsic swimming properties of the particles. The results presented here, together with the simulation method that we have developed, allow us to better understand the complex hydrodynamic interactions in microswimmer dispersions.
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Donovan, Ariel R; Adams, Craig D; Ma, Yinfa; Stephan, Chady; Eichholz, Todd; Shi, Honglan
2016-07-01
Nanoparticles (NPs) entering water systems are an emerging concern as NPs are more frequently manufactured and used. Single particle inductively coupled plasma-mass spectrometry (SP-ICP-MS) methods were validated to detect Zn- and Ce-containing NPs in surface and drinking water using a short dwell time of 0.1 ms or lower, ensuring precision in single particle detection while eliminating the need for sample preparation. Using this technique, information regarding NP size, size distribution, particle concentration, and dissolved ion concentrations was obtained simultaneously. The fates of Zn- and Ce-NPs, including those found in river water and added engineered NPs, were evaluated by simulating a typical drinking water treatment process. Lime softening, alum coagulation, powdered activated carbon sorption, and disinfection by free chlorine were simulated sequentially using river water. Lime softening removed 38-53 % of Zn-containing and ZnO NPs and >99 % of Ce-containing and CeO2 NPs. Zn-containing and ZnO NP removal increased to 61-74 % and 77-79 % after alum coagulation and disinfection, respectively. Source and drinking water samples were collected from three large drinking water treatment facilities and analyzed for Zn- and Ce-containing NPs. Each facility had these types of NPs present. In all cases, particle concentrations were reduced by a minimum of 60 % and most were reduced by >95 % from source water to finished drinking water. This study concludes that uncoated ZnO and CeO2 NPs may be effectively removed by conventional drinking water treatments including lime softening and alum coagulation.
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Enhancing magnetorheological effect using bimodal suspensions in the single-multidomain limit
NASA Astrophysics Data System (ADS)
Morillas, José R.; Bombard, Antonio J. F.; de Vicente, Juan
2018-07-01
We demonstrate a new route to enhance the magnetorheological effect using bimodal suspensions in the single-multidomain limit. Experimental results are satisfactorily compared to 3D finite element method simulations. The physical reason behind this enhancement is the coating of the larger particles by the smaller ones due to the remnant magnetization of the latter.
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Peters, Ruud J B; van Bemmel, Greet; Herrera-Rivera, Zahira; Helsper, Hans P F G; Marvin, Hans J P; Weigel, Stefan; Tromp, Peter C; Oomen, Agnes G; Rietveld, Anton G; Bouwmeester, Hans
2014-07-09
Titanium dioxide (TiO2) is a common food additive used to enhance the white color, brightness, and sometimes flavor of a variety of food products. In this study 7 food grade TiO2 materials (E171), 24 food products, and 3 personal care products were investigated for their TiO2 content and the number-based size distribution of TiO2 particles present in these products. Three principally different methods have been used to determine the number-based size distribution of TiO2 particles: electron microscopy, asymmetric flow field-flow fractionation combined with inductively coupled mass spectrometry, and single-particle inductively coupled mass spectrometry. The results show that all E171 materials have similar size distributions with primary particle sizes in the range of 60-300 nm. Depending on the analytical method used, 10-15% of the particles in these materials had sizes below 100 nm. In 24 of the 27 foods and personal care products detectable amounts of titanium were found ranging from 0.02 to 9.0 mg TiO2/g product. The number-based size distributions for TiO2 particles in the food and personal care products showed that 5-10% of the particles in these products had sizes below 100 nm, comparable to that found in the E171 materials. Comparable size distributions were found using the three principally different analytical methods. Although the applied methods are considered state of the art, they showed practical size limits for TiO2 particles in the range of 20-50 nm, which may introduce a significant bias in the size distribution because particles <20 nm are excluded. This shows the inability of current state of the art methods to support the European Union recommendation for the definition of nanomaterials.
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Speckle field as a multiple particle trap
NASA Astrophysics Data System (ADS)
Shvedov, V. G.; Rode, A. V.; Izdebskaya, Ya. V.; Desyatnikov, A. S.; Krolikowski, W.; Kivshar, Yu. S.
2010-04-01
We demonstrate that a speckle pattern in the spatially coherent laser field transmitted by a diffuser forms a multitude of three-dimensional bottle-shaped micro-traps. These multiple traps serve as a means for an effective trapping of large number of air-born absorbing particles. Confinement of up to a few thousand particles in air with a single beam has been achieved. The ability to capture light-absorbing particles suspended in gases by optical means opens up rich and diverse practical opportunities, including development of photonic shielding/fencing for environmental protection in nanotechnology industry and new methods of touch-free air transport of particles and small containers, which may hold dangerous substances, or viruses and living cells.
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The effect of concentration in the patterning of silica particles by the soft lithographic technique
NASA Astrophysics Data System (ADS)
Singh, Akanksha; Malek, Chantal Khan; Kulkarni, Sulabha K.
2008-12-01
Soft lithography provides remarkable surface patterning techniques to organize colloidal particles for a wide variety of applications. In particular, micromolding in capillaries (MIMIC) has emerged as a patterning method in the nanometer to micrometer scale in a single step by using templating and directing nanoparticles via capillary forces in the channel. The present work reports the results of the micropatterning of monodispersed silica particles of ~338 ± 2 nm size in ethanol medium, using MIMIC on silicon substrates. The effect of the concentration of silica particles on the patterning has been investigated. The patterns are well aligned and completely filled at 2 wt% concentration of silica particles.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Lee, Hee Uk; Song, Yoon Seok; Park, Chulhwan
2012-12-15
Graphical abstract: Display Omitted Highlights: ► A simple method was developed to synthesize Co-B/SiO{sub 2}/dye/SiO{sub 2} composite particles. ► The magnetic particle shows that highly luminescent and core/shell particles are formed. ► Such core/shell particles can be easily suspended in water. ► The magnetic particles could detect fluorescence for the application of biosensor. -- Abstract: A simple and reproducible method was developed to synthesize a novel class of Co-B/SiO{sub 2}/dye/SiO{sub 2} composite core/shell particles. Using a single cobalt core, Rhodamine 6G of organic dye molecules was entrapped in a silica shell, resulting in core/shell particles of ∼200 nm diameter. Analysesmore » using a variety of techniques such as transmission electron microscopy, X-ray photoelectron spectroscopy, vibration sample magnetometry, confocal laser scanning microscopy, and fluorescence intensity demonstrated that dye molecules were trapped inside the core/shell particles. A photoluminescence investigation showed that highly luminescent and photostable core/shell particles were formed. Such core/shell particles can be easily suspended in water. The synthesized magnetic particles could be used to detect fluorescence on glass substrate arrays for bioassay and biosensor applications.« less
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Chen, Kuangcai
The goal of this study is to help with future data analysis and experiment designs in rotational dynamics research using DIC-based SPORT technique. Most of the current studies using DIC-based SPORT techniques are technical demonstrations. Understanding the mechanisms behind the observed rotational behaviors of the imaging probes should be the focus of the future SPORT studies. More efforts are still needed in the development of new imaging probes, particle tracking methods, instrumentations, and advanced data analysis methods to further extend the potential of DIC-based SPORT technique.
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Toroidal Optical Microresonators as Single-Particle Absorption Spectrometers
NASA Astrophysics Data System (ADS)
Heylman, Kevin D.
Single-particle and single-molecule measurements are invaluable tools for characterizing structural and energetic properties of molecules and nanomaterials. Photothermal microscopy in particular is an ultrasensitive technique capable of single-molecule resolution. In this thesis I introduce a new form of photothermal spectroscopy involving toroidal optical microresonators as detectors and a pair of non-interacting lasers as pump and probe for performing single-target absorption spectroscopy. The first three chapters will discuss the motivation, design principles, underlying theory, and fabrication process for the microresonator absorption spectrometer. With an early version of the spectrometer, I demonstrate photothermal mapping and all-optical tuning with toroids of different geometries in Chapter 4. In Chapter 5, I discuss photothermal mapping and measurement of the absolute absorption cross-sections of individual carbon nanotubes. For the next generation of measurements I incorporate all of the advances described in Chapter 2, including a double-modulation technique to improve detection limits and a tunable pump laser for spectral measurements on single gold nanoparticles. In Chapter 6 I observe sharp Fano resonances in the spectra of gold nanoparticles and describe them with a theoretical model. I continued to study this photonic-plasmonic hybrid system in Chapter 7 and explore the thermal tuning of the Fano resonance phase while quantifying the Fisher information. The new method of photothermal single-particle absorption spectroscopy that I will discuss in this thesis has reached record detection limits for microresonator sensing and is within striking distance of becoming the first single-molecule room-temperature absorption spectrometer.
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Sawtarie, Nader; Cai, Yuhang; Lapitsky, Yakov
2017-09-01
Nanoparticles prepared through the ionotropic gelation of chitosan with tripolyphosphate (TPP) have been extensively studied as vehicles for drug and gene delivery. Though a number of these works have focused on preparing particles with narrow size distributions, the monodisperse particles produced by these methods have been limited to narrow size ranges (where the average particle size was not varied by more than twofold). Here we show how, by tuning the NaCl concentration in the parent chitosan and TPP solutions, low-polydispersity particles with z-average diameters ranging between roughly 100 and 900nm can be prepared. Further, we explore how the size of these particles depends on the method by which the TPP is mixed into the chitosan solution, specifically comparing: (1) single-shot mixing; (2) dropwise addition; and (3) a dilution technique, where chitosan and TPP are codissolved at a high (gelation-inhibiting) ionic strength and then diluted to lower ionic strengths to trigger gelation. Though the particle size increases sigmoidally with the NaCl concentration for all three mixing methods, the dilution method delivers the most uniform/gradual size increase - i.e., it provides the most precise control. Also investigated are the effects of mixture composition and mixing procedure on the particle yield. These reveal the particle yield to increase with the chitosan/TPP concentration, decrease with the NaCl concentration, and vary only weakly with the mixing protocol; thus, at elevated NaCl concentrations, it may be beneficial to increase chitosan and TPP concentrations to ensure high particle yields. Finally, possible pitfalls of the salt-assisted size control strategy (and their solutions) are discussed. Taken together, these findings provide a simple and reliable method for extensively tuning chitosan/TPP particle size while maintaining narrow size distributions. Copyright © 2017 Elsevier B.V. All rights reserved.
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Suppressing Brownian motion of individual biomolecules in solution
Cohen, Adam E.; Moerner, W. E.
2006-01-01
Single biomolecules in free solution have long been of interest for detailed study by optical methods, but Brownian motion prevents the observation of one single molecule for extended periods. We have used an anti-Brownian electrokinetic (ABEL) trap to trap individual protein molecules in free solution, under ambient conditions, without requiring any attachment to beads or surfaces. We also demonstrate trapping and manipulation of single virus particles, lipid vesicles, and fluorescent semiconductor nanocrystals. PMID:16537418
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A centroid molecular dynamics study of liquid para-hydrogen and ortho-deuterium.
Hone, Tyler D; Voth, Gregory A
2004-10-01
Centroid molecular dynamics (CMD) is applied to the study of collective and single-particle dynamics in liquid para-hydrogen at two state points and liquid ortho-deuterium at one state point. The CMD results are compared with the results of classical molecular dynamics, quantum mode coupling theory, a maximum entropy analytic continuation approach, pair-product forward- backward semiclassical dynamics, and available experimental results. The self-diffusion constants are in excellent agreement with the experimental measurements for all systems studied. Furthermore, it is shown that the method is able to adequately describe both the single-particle and collective dynamics of quantum liquids. (c) 2004 American Institute of Physics
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2015-06-01
5110P and 16 dx360M4 nodes each with one NVIDIA Kepler K20M/K40M GPU. Each node contained dual Intel Xeon E5-2670 (Sandy Bridge) central processing...kernel and as such does not employ multiple processors. This work makes use of a single processing core and a single NVIDIA Kepler K40 GK110...bandwidth (2 × 16 slot), 7.877 GFloat/s; Kepler K40 peak, 4,290 × 1 billion floating-point operations (GFLOPs), and 288 GB/s Kepler K40 memory
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NASA Astrophysics Data System (ADS)
Nogrette, F.; Heurteau, D.; Chang, R.; Bouton, Q.; Westbrook, C. I.; Sellem, R.; Clément, D.
2015-11-01
We report on the development of a novel FPGA-based time-to-digital converter and its implementation in a detection chain that records the coordinates of single particles along three dimensions. The detector is composed of micro-channel plates mounted on top of a cross delay line and connected to fast electronics. We demonstrate continuous recording of the timing signals from the cross delay line at rates up to 4.1 × 106 s-1 and three-dimensional reconstruction of the coordinates up to 3.2 × 106 particles per second. From the imaging of a calibrated structure we measure the in-plane resolution of the detector to be 140(20) μm at a flux of 3 × 105 particles per second. In addition, we analyze a method to estimate the resolution without placing any structure under vacuum, a significant practical improvement. While we use UV photons here, the results of this work apply to the detection of other kinds of particles.
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Optical waveguide loop for planar trapping of blood cells and microspheres
NASA Astrophysics Data System (ADS)
Ahluwalia, Balpreet S.; Hellesø, Olav G.
2013-09-01
The evanescent field from a waveguide can be used to trap and propel a particle. An optical waveguide loop with an intentional gap at the center is used for planar transport and stable trapping of particles. The waveguide acts as a conveyor belt to trap and deliver spheres towards the gap. At the gap, the counter-diverging light fields hold the sphere at a fixed position. Numerical simulation based on the finite element method was performed in three dimensions using a computer cluster. The field distribution and optical forces for rib and strip waveguide designs are compared and discussed. The optical force on a single particle was computed for various positions of the particle in the gap. Simulation predicted stable trapping of particles in the gap. Depending on the gap separation (2-50 μm) a single or multiple spheres and red blood cells were trapped at the gap. Waveguides were made of tantalum pentaoxide material. The waveguides are only 180 nm thick and thus could be integrated with other functions on the chip.
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Ooi, Diana Jia Miin; Dzulkurnain, Adriya; Othman, Rofina Yasmin; Lim, Saw Hoon; Harikrishna, Jennifer Ann
2006-09-01
A modified method for the rapid isolation of specific ligands to whole virus particles is described. Biopanning against cymbidium mosaic virus was carried out with a commercial 12-mer random peptide display library. A solution phase panning method was devised using streptavidin-coated superparamagnetic beads. The solution based panning method was more efficient than conventional immobilized target panning when using whole viral particles of cymbidium mosaic virus as a target. Enzyme-linked immunosorbent assay of cymbidium mosaic virus-binding peptides isolated from the library identified seven peptides with affinity for cymbidium mosaic virus and one peptide which was specific to cymbidium mosaic virus and had no significant binding to odontoglossum ringspot virus. This method should have broad application for the screening of whole viral particles towards the rapid development of diagnostic reagents without the requirement for cloning and expression of single antigens.
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NASA Astrophysics Data System (ADS)
Irwin, M.; Broda, K.; Olfert, J. S.; Schill, G. P.; McMeeking, G. R.; Schnitzler, E.; Jäger, W.
2016-12-01
Refractory black carbon (rBC) has important atmospheric impacts due to its ability to absorb light, and its interactions with light are partly governed by the acquisition of coatings or other mixing processes. Here, a novel inversion method is presented which derives the mass fraction of coated rBC using a coupled centrifugal particle mass analyzer (CPMA) and single particle soot photometer (SP2). The CPMA selects particles of a known mass-to-charge ratio, and the SP2 detects the mass of rBC in each individual particle. The results of the inversion are the simultaneous number distributions of both rBC mass and total particle mass. Practically, the distribution can be integrated to find properties of the total aerosol population, for example, i) mass fraction of coating and ii) mass of coating on a particle of known total mass. This was demonstrated via smog chamber experiments. Initially, particles in the chamber were pure rBC, produced from a methane burner and passed through a diffusion dryer and thermal denuder. An organic (non-rBC) coating was then grown onto the aerosol over several hours via photooxidation with p-xylene. The CPMA-SP2 coupled system sampled the aerosol over the reaction period as the coating grew. The CPMA was sequentially stepped over a mass range from 0.3 to 28 fg and the SP2 measured the mass of rBC in each individual CPMA-classified particle. The number and mass distributions were constructed using the inversion. As expected, the mass and number distributions of rBC and total mass were equivalent for uncoated particles. As the non-rBC coating thickness increased over time, a shift in the number distribution towards higher total mass was observed. At the end of the experiment, fresh rBC (i.e. uncoated, bare particles) was injected into the chamber, creating an external mixture of coated and uncoated particles. This external mixture was clearly resolved in the number distribution of rBC and total particle mass. It is expected that the CPMA-SP2 methodology and inversion technique would be useful for field measurements where the rBC mass fraction, and mixing state of rBC-containing particles, could be accurately measured continuously. This methodology is not limited to evaluating coating mass—unlike SP2 only methods, it gives an unambiguous measure of any non-rBC material mixed with the particle.
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NASA Astrophysics Data System (ADS)
Deacon, L. J.; Pankhurst, L. J.; Drew, G. H.; Hayes, E. T.; Jackson, S.; Longhurst, P. J.; Longhurst, J. W. S.; Liu, J.; Pollard, S. J. T.; Tyrrel, S. F.
Information on the particle size distribution of bioaerosols emitted from open air composting operations is valuable in evaluating potential health impacts and is a requirement for improved dispersion simulation modelling. The membrane filter method was used to study the particle size distribution of Aspergillus fumigatus spores in air 50 m downwind of a green waste compost screening operation at a commercial facility. The highest concentrations (approximately 8 × 10 4 CFU m -3) of culturable spores were found on filters with pore diameters in the range 1-2 μm which suggests that the majority of spores are emitted as single cells. The findings were compared to published data collected using an Andersen sampler. Results were significantly correlated ( p < 0.01) indicating that the two methods are directly comparable across all particles sizes for Aspergillus spores.
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Large deviation function for a driven underdamped particle in a periodic potential
NASA Astrophysics Data System (ADS)
Fischer, Lukas P.; Pietzonka, Patrick; Seifert, Udo
2018-02-01
Employing large deviation theory, we explore current fluctuations of underdamped Brownian motion for the paradigmatic example of a single particle in a one-dimensional periodic potential. Two different approaches to the large deviation function of the particle current are presented. First, we derive an explicit expression for the large deviation functional of the empirical phase space density, which replaces the level 2.5 functional used for overdamped dynamics. Using this approach, we obtain several bounds on the large deviation function of the particle current. We compare these to bounds for overdamped dynamics that have recently been derived, motivated by the thermodynamic uncertainty relation. Second, we provide a method to calculate the large deviation function via the cumulant generating function. We use this method to assess the tightness of the bounds in a numerical case study for a cosine potential.
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Methods used to calculate doses resulting from inhalation of Capstone depleted uranium aerosols.
Miller, Guthrie; Cheng, Yung Sung; Traub, Richard J; Little, Tom T; Guilmette, Raymond A
2009-03-01
The methods used to calculate radiological and toxicological doses to hypothetical persons inside either a U.S. Army Abrams tank or Bradley Fighting Vehicle that has been perforated by depleted uranium munitions are described. Data from time- and particle-size-resolved measurements of depleted uranium aerosol as well as particle-size-resolved measurements of aerosol solubility in lung fluids for aerosol produced in the breathing zones of the hypothetical occupants were used. The aerosol was approximated as a mixture of nine monodisperse (single particle size) components corresponding to particle size increments measured by the eight stages plus the backup filter of the cascade impactors used. A Markov Chain Monte Carlo Bayesian analysis technique was employed, which straightforwardly calculates the uncertainties in doses. Extensive quality control checking of the various computer codes used is described.
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Diameter modulation of vertically aligned single-walled carbon nanotubes.
Xiang, Rong; Einarsson, Erik; Murakami, Yoichi; Shiomi, Junichiro; Chiashi, Shohei; Tang, Zikang; Maruyama, Shigeo
2012-08-28
We demonstrate wide-range diameter modulation of vertically aligned single-walled carbon nanotubes (SWNTs) using a wet chemistry prepared catalyst. In order to ensure compatibility to electronic applications, the current minimum mean diameter of 2 nm for vertically aligned SWNTs is challenged. The mean diameter is decreased to about 1.4 nm by reducing Co catalyst concentrations to 1/100 or by increasing Mo catalyst concentrations by five times. We also propose a novel spectral analysis method that allows one to distinguish absorbance contributions from the upper, middle, and lower parts of a nanotube array. We use this method to quantitatively characterize the slight diameter change observed along the array height. On the basis of further investigation of the array and catalyst particles, we conclude that catalyst aggregation-rather than Ostwald ripening-dominates the growth of metal particles.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Eley, J; Mehta, M; Molitoris, J
Purpose: The purpose of this study was to propose a method to implement arc therapy that is compatible with existing particle therapy systems having gantries and pencil-beam scanning capacities. Furthermore, we sought to demonstrate expected benefits of this method for selected clival chordoma patients. Methods: We propose that a desired particle arc treatment plan can be discretized into a finite number of fixed beams and that only one (or a subset) of these beams be delivered in any single treatment fraction; the target should receive uniform dose during each fraction. For 3 clival-chordoma patients, robust-optimized, scanned proton beams were simulatedmore » to deliver 78 Gy (RBE) to clinical target volumes (CTVs), using either a single-field plan with a posterior-anterior (PA) beam or a discrete-arc plan with 16 beams that were equally spaced throughout a 360-degree axial arc. Dose-volume metrics were compared with emphasis on the brainstem, since risk of radiation necrosis there can often restrict application of tumoricidal doses for chordomas. Results: The mean volume of brainstem receiving a dose of 60 Gy (RBE) or higher (V60Gy) was 10.3±0.9 cm{sup 3} for the single-field plan and 4.7±1.8 cm{sup 3} for the discrete-arc plan, a reduction of 55% in favor of arcs. The mean dose to the brainstem was also reduced using arcs, by 18%, while the maximum dose was nearly identical for both methods. For the whole brain, V60Gy was reduced by 23%, in favor of arcs. Mean dose to the CTVs were nearly identical for both strategies, within 0.3%. Conclusion: Discrete arc treatments can be implemented using existing scanned particle-beam facilities. Aside from the physical advantages, the biological uncertainties of particle therapy, particularly high in the distal edge, can be reduced by arc therapy via rotational smearing, which may be of benefit for tumors near the brainstem.« less
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Particle acceleration at shocks in the inner heliosphere
NASA Astrophysics Data System (ADS)
Parker, Linda Neergaard
This dissertation describes a study of particle acceleration at shocks via the diffusive shock acceleration mechanism. Results for particle acceleration at both quasi-parallel and quasi-perpendicular shocks are presented to address the question of whether there are sufficient particles in the solar wind thermal core, modeled as either a Maxwellian or kappa- distribution, to account for the observed accelerated spectrum. Results of accelerating the theoretical upstream distribution are compared to energetic observations at 1 AU. It is shown that the particle distribution in the solar wind thermal core is sufficient to explain the accelerated particle spectrum downstream of the shock, although the shape of the downstream distribution in some cases does not follow completely the theory of diffusive shock acceleration, indicating possible additional processes at work in the shock for these cases. Results show good to excellent agreement between the theoretical and observed spectral index for one third to one half of both quasi-parallel and quasi-perpendicular shocks studied herein. Coronal mass ejections occurring during periods of high solar activity surrounding solar maximum can produce shocks in excess of 3-8 shocks per day. During solar minimum, diffusive shock acceleration at shocks can generally be understood on the basis of single independent shocks and no other shock necessarily influences the diffusive shock acceleration mechanism. In this sense, diffusive shock acceleration during solar minimum may be regarded as Markovian. By contrast, diffusive shock acceleration of particles at periods of high solar activity (e.g. solar maximum) see frequent, closely spaced shocks that include the effects of particle acceleration at preceding and following shocks. Therefore, diffusive shock acceleration of particles at solar maximum cannot be modeled on the basis of diffusive shock acceleration as a single, independent shock and the process is essentially non-Markovian. A multiple shock model is developed based in part on the box model of (Protheroe and Stanev, 1998; Moraal and Axford, 1983; Ball and Kirk, 1992; Drury et al. 1999) that accelerates particles at multiple shocks and decompresses the particles between shocks via two methods. The first method of decompression is based on the that used by Melrose and Pope (1993), which adiabatically decompresses particles between shocks. The second method solves the cosmic ray transport equation and adiabatically decompresses between shocks and includes the loss of particles through convection and diffusion. The transport method allows for the inclusion of a temporal variability and thus allows for a more representative frequency distribution of shocks. The transport method of decompression and loss is used to accelerate particles at seventy-three shocks in a thirty day time period. Comparisons with observations taken at 1 AU during the same time period are encouraging as the model is able to reproduce the observed amplitude of the accelerated particles and in part the variability. This work provides the basis for developing more sophisticated models that can be applied to a suite of observations
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NASA Astrophysics Data System (ADS)
Kaufman, Miron; Fodor, Petru S.
A detailed analysis of the fluid flow in Tadmor's unwound channel model of the single screw extruder is performed by combining numerical and analytical methods. Using the analytical solution for the longitudinal velocity field (in the limit of zero Reynolds number) allows us to devote all the computational resources solely for a detailed numerical solution of the transversal velocity field. This high resolution 3D model of the fluid flow in a single-screw extruder allows us to identify the position and extent of Moffatt eddies that impede mixing. We further consider the erosion of particles (e.g. carbon-black agglomerates) advected by the polymeric flow. We assume a particle to be made of primary fragments bound together. In the erosion process a primary fragment breaks out of a given particle. Particles are advected by the laminar flow and they disperse because of the shear stresses imparted by the fluid. The time evolution of the numbers of particles of different sizes is described by the Bateman coupled differential equations used to model radioactivity. Using the particle size distribution we compute an entropic fragmentation index which varies from 0 for a monodisperse system to 1 for an extreme poly-disperse system.
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Integrated micro-optofluidic platform for real-time detection of airborne microorganisms
NASA Astrophysics Data System (ADS)
Choi, Jeongan; Kang, Miran; Jung, Jae Hee
2015-11-01
We demonstrate an integrated micro-optofluidic platform for real-time, continuous detection and quantification of airborne microorganisms. Measurements of the fluorescence and light scattering from single particles in a microfluidic channel are used to determine the total particle number concentration and the microorganism number concentration in real-time. The system performance is examined by evaluating standard particle measurements with various sample flow rates and the ratios of fluorescent to non-fluorescent particles. To apply this method to real-time detection of airborne microorganisms, airborne Escherichia coli, Bacillus subtilis, and Staphylococcus epidermidis cells were introduced into the micro-optofluidic platform via bioaerosol generation, and a liquid-type particle collection setup was used. We demonstrate successful discrimination of SYTO82-dyed fluorescent bacterial cells from other residue particles in a continuous and real-time manner. In comparison with traditional microscopy cell counting and colony culture methods, this micro-optofluidic platform is not only more accurate in terms of the detection efficiency for airborne microorganisms but it also provides additional information on the total particle number concentration.
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NASA Astrophysics Data System (ADS)
Lu, Zheng; Chen, Xiaoyi; Zhou, Ying
2018-04-01
A particle tuned mass damper (PTMD) is a creative combination of a widely used tuned mass damper (TMD) and an efficient particle damper (PD) in the vibration control area. The performance of a one-storey steel frame attached with a PTMD is investigated through free vibration and shaking table tests. The influence of some key parameters (filling ratio of particles, auxiliary mass ratio, and particle density) on the vibration control effects is investigated, and it is shown that the attenuation level significantly depends on the filling ratio of particles. According to the experimental parametric study, some guidelines for optimization of the PTMD that mainly consider the filling ratio are proposed. Furthermore, an approximate analytical solution based on the concept of an equivalent single-particle damper is proposed, and it shows satisfied agreement between the simulation and experimental results. This simplified method is then used for the preliminary optimal design of a PTMD system, and a case study of a PTMD system attached to a five-storey steel structure following this optimization process is presented.
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Wang, Jingtao; Liu, Jinxia; Han, Junjie; Guan, Jing
2013-02-08
A boundary integral method is developed to investigate the effects of inner droplets and asymmetry of internal structures on rheology of two-dimensional multiple emulsion particles with arbitrary numbers of layers and droplets within each layer. Under a modest extensional flow, the number increment of layers and inner droplets, and the collision among inner droplets subject the particle to stronger shears. In addition, the coalescence or release of inner droplets changes the internal structure of the multiple emulsion particles. Since the rheology of such particles is sensitive to internal structures and their change, modeling them as the core-shell particles to obtain the viscosity equation of a single particle should be modified by introducing the time-dependable volume fraction Φ(t) of the core instead of the fixed Φ. An asymmetric internal structure induces an oriented contact and merging of the outer and inner interface. The start time of the interface merging is controlled by adjusting the viscosity ratio and enhancing the asymmetry, which is promising in the controlled release of inner droplets through hydrodynamics for targeted drug delivery.
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Integrated micro-optofluidic platform for real-time detection of airborne microorganisms
Choi, Jeongan; Kang, Miran; Jung, Jae Hee
2015-01-01
We demonstrate an integrated micro-optofluidic platform for real-time, continuous detection and quantification of airborne microorganisms. Measurements of the fluorescence and light scattering from single particles in a microfluidic channel are used to determine the total particle number concentration and the microorganism number concentration in real-time. The system performance is examined by evaluating standard particle measurements with various sample flow rates and the ratios of fluorescent to non-fluorescent particles. To apply this method to real-time detection of airborne microorganisms, airborne Escherichia coli, Bacillus subtilis, and Staphylococcus epidermidis cells were introduced into the micro-optofluidic platform via bioaerosol generation, and a liquid-type particle collection setup was used. We demonstrate successful discrimination of SYTO82-dyed fluorescent bacterial cells from other residue particles in a continuous and real-time manner. In comparison with traditional microscopy cell counting and colony culture methods, this micro-optofluidic platform is not only more accurate in terms of the detection efficiency for airborne microorganisms but it also provides additional information on the total particle number concentration. PMID:26522006
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Dynamics of an acoustically levitated particle using the lattice Boltzmann method
NASA Astrophysics Data System (ADS)
Barrios, G.; Rechtman, R.
When the acoustic force inside a cavity balances the gravitational force on a particle the result is known as acoustic levitation. Using the lattice Boltzmann equation method we find the acoustic force acting on a rounded particle for two different single-axis acoustic levitators in two dimensions, the first with plane waves, the second with a rounded reflector that enhances the acoustic force. With no gravitational force, a particle oscillates around a pressure node; in the presence of gravity the oscillation is shifted a small vertical distance below the pressure node. This distance increases linearly as the density ratio between the solid particle and fluid grows. For both cavities, the particle oscillates with the frequency of the sound source and its harmonics and in some cases there is a much smaller second dominant frequency. When the momentum of the acoustic source changes, the oscillation around the average vertical position can have both frequencies mentioned above. However, if this quantity is large enough, the oscillations of the particle are aperiodic in the cavity with a rounded reflector.
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Dielectrophoretic immobilisation of nanoparticles as isolated singles in regular arrays
NASA Astrophysics Data System (ADS)
Knigge, Xenia; Wenger, Christian; Bier, Frank F.; Hölzel, Ralph
2018-02-01
We demonstrate the immobilisation of polystyrene nanoparticles on vertical nano-electrodes by means of dielectrophoresis. The electrodes have diameters of 500 nm or 50 nm, respectively, and are arranged in arrays of several thousand electrodes, allowing many thousands of experiments in parallel. At a frequency of 15 kHz, which is found favourable for polystyrene, several occupation patterns are observed, and both temporary and permanent immobilisation is achieved. In addition, a histogram method is applied, which allows to determine the number of particles occupying the electrodes. These results are validated with scanning electron microscopy images. Immobilising exactly one particle at each electrode tip is achieved for electrode tip diameters with half the particle size. Extension of this system down to the level of single molecules is envisaged, which will avoid ensemble averaging at still statistically large sample sizes.
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Conservative bin-to-bin fractional collisions
NASA Astrophysics Data System (ADS)
Martin, Robert
2016-11-01
Particle methods such as direct simulation Monte Carlo (DSMC) and particle-in-cell (PIC) are commonly used to model rarefied kinetic flows for engineering applications because of their ability to efficiently capture non-equilibrium behavior. The primary drawback to these methods relates to the poor convergence properties due to the stochastic nature of the methods which typically rely heavily on high degrees of non-equilibrium and time averaging to compensate for poor signal to noise ratios. For standard implementations, each computational particle represents many physical particles which further exacerbate statistical noise problems for flow with large species density variation such as encountered in flow expansions and chemical reactions. The stochastic weighted particle method (SWPM) introduced by Rjasanow and Wagner overcome this difficulty by allowing the ratio of real to computational particles to vary on a per particle basis throughout the flow. The DSMC procedure must also be slightly modified to properly sample the Boltzmann collision integral accounting for the variable particle weights and to avoid the creation of additional particles with negative weight. In this work, the SWPM with necessary modification to incorporate the variable hard sphere (VHS) collision cross section model commonly used in engineering applications is first incorporated into an existing engineering code, the Thermophysics Universal Research Framework. The results and computational efficiency are compared to a few simple test cases using a standard validated implementation of the DSMC method along with the adapted SWPM/VHS collision using an octree based conservative phase space reconstruction. The SWPM method is then further extended to combine the collision and phase space reconstruction into a single step which avoids the need to create additional computational particles only to destroy them again during the particle merge. This is particularly helpful when oversampling the collision integral when compared to the standard DSMC method. However, it is found that the more frequent phase space reconstructions can cause added numerical thermalization with low particle per cell counts due to the coarseness of the octree used. However, the methods are expected to be of much greater utility in transient expansion flows and chemical reactions in the future.
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Nanohole optical tweezers in heterogeneous mixture analysis
NASA Astrophysics Data System (ADS)
Hacohen, Noa; Ip, Candice J. X.; Laxminarayana, Gurunatha K.; DeWolf, Timothy S.; Gordon, Reuven
2017-08-01
Nanohole optical trapping is a tool that has been shown to analyze proteins at the single molecule level using pure samples. The next step is to detect and study single molecules with dirty samples. We demonstrate that using our double nanohole optical tweezing configuration, single particles in an egg white solution can be classified when trapped. Different sized molecules provide different signal variations in their trapped state, allowing the proteins to be statistically characterized. Root mean squared variation and trap stiffness are methods used on trapped signals to distinguish between the different proteins. This method to isolate and determine single molecules in heterogeneous samples provides huge potential to become a reliable tool for use within biomedical and scientific communities.
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Laboratory Measurements of Single-Particle Polarimetric Spectrum
NASA Astrophysics Data System (ADS)
Gritsevich, M.; Penttila, A.; Maconi, G.; Kassamakov, I.; Helander, P.; Puranen, T.; Salmi, A.; Hæggström, E.; Muinonen, K.
2017-12-01
Measuring scattering properties of different targets is important for material characterization, remote sensing applications, and for verifying theoretical results. Furthermore, there are usually simplifications made when we model targets and compute the scattering properties, e.g., ideal shape or constant optical parameters throughout the target material. Experimental studies help in understanding the link between the observed properties and computed results. Experimentally derived Mueller matrices of studied particles can be used as input for larger-scale scattering simulations, e.g., radiative transfer computations. This method allows to bypass the problem of using an idealized model for single-particle optical properties. While existing approaches offer ensemble- and orientation-averaged particle properties, our aim is to measure individual particles with controlled or known orientation. With the newly developed scatterometer, we aim to offer novel possibility to measure single, small (down to μm-scale) targets and their polarimetric spectra. This work presents an experimental setup that measures light scattered by a fixed small particle with dimensions ranging between micrometer and millimeter sizes. The goal of our setup is nondestructive characterization of such particles by measuring light of multiple wavelengths scattered in 360° in a horizontal plane by an ultrasonically levitating sample, whilst simultaneously controlling its 3D position and orientation. We describe the principles and design of our instrument and its calibration. We also present example measurements of real samples. This study was conducted under the support from the European Research Council, in the frame of the Advanced Grant project No. 320773 `Scattering and Absorption of Electromagnetic Waves in Particulate Media' (SAEMPL).
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NASA Astrophysics Data System (ADS)
Liu, D.; Fu, X.; Liu, X.
2016-12-01
In nature, granular materials exist widely in water bodies. Understanding the fundamentals of solid-liquid two-phase flow, such as turbulent sediment-laden flow, is of importance for a wide range of applications. A coupling method combining computational fluid dynamics (CFD) and discrete element method (DEM) is now widely used for modeling such flows. In this method, when particles are significantly larger than the CFD cells, the fluid field around each particle should be fully resolved. On the other hand, the "unresolved" model is designed for the situation where particles are significantly smaller than the mesh cells. Using "unresolved" model, large amount of particles can be simulated simultaneously. However, there is a gap between these two situations when the size of DEM particles and CFD cell is in the same order of magnitude. In this work, the most commonly used void fraction models are tested with numerical sedimentation experiments. The range of applicability for each model is presented. Based on this, a new void fraction model, i.e., a modified version of "tri-linear" model, is proposed. Particular attention is paid to the smooth function of void fraction in order to avoid numerical instability. The results show good agreement with the experimental data and analytical solution for both single-particle motion and also group-particle motion, indicating great potential of the new void fraction model.
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Liu, Lang; Zhang, Wen-jie; Du, Shi-yong; Hou, Lu-jian; Han, Bin; Yang, Wen; Chen, Min-dong; Bai, Zhi-peng
2016-05-15
Single particle aerosol mass spectrometry (SPAMS) was deployed to continuously observe the aerosol particles of Beijing urban area from 2013-12 to 2014-11, and the hourly average data of sulfate, nitrate and ammonium (SNA) were obtained using the characteristic ion tracer method. The mixing state and size distribution of SNA were analyzed. In addition, based on Hysplit 48 h back air mass trajectory results in combination with Concentration Weighted Trajectory method (CWT), we obtained the seasonal potential source contribution area of SNA. The results showed that the mixture of sulfate, nitrate and ammonium in spring and summer was more stable than that in autumn and winter. The size distribution of sulfate and nitrate was very similar. The size distribution characteristics of SNA followed the order of autumn > summer > spring > winter. The potential source region of SNA had similar spatial distribution characteristics, and the potential source region of SNA was mainly located in Beijing and south areas, especially at Tianjin, Langfang, Hengshui, Baoding and Shijiazhuang.
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Guildenbecher, Daniel R.; Cooper, Marcia A.; Sojka, Paul E.
2016-04-05
High-speed (20 kHz) digital in-line holography (DIH) is applied for 3D quantification of the size and velocity of fragments formed from the impact of a single water drop onto a thin film of water and burning aluminum particles from the combustion of a solid rocket propellant. To address the depth-of-focus problem in DIH, a regression-based multiframe tracking algorithm is employed, and out-of-plane experimental displacement accuracy is shown to be improved by an order-of-magnitude. Comparison of the results with previous DIH measurements using low-speed recording shows improved positional accuracy with the added advantage of detailed resolution of transient dynamics from singlemore » experimental realizations. Furthermore, the method is shown to be particularly advantageous for quantification of particle mass flow rates. For the investigated particle fields, the mass flows rates, which have been automatically measured from single experimental realizations, are found to be within 8% of the expected values.« less
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Three-dimensional manipulation of single cells using surface acoustic waves.
Guo, Feng; Mao, Zhangming; Chen, Yuchao; Xie, Zhiwei; Lata, James P; Li, Peng; Ren, Liqiang; Liu, Jiayang; Yang, Jian; Dao, Ming; Suresh, Subra; Huang, Tony Jun
2016-02-09
The ability of surface acoustic waves to trap and manipulate micrometer-scale particles and biological cells has led to many applications involving "acoustic tweezers" in biology, chemistry, engineering, and medicine. Here, we present 3D acoustic tweezers, which use surface acoustic waves to create 3D trapping nodes for the capture and manipulation of microparticles and cells along three mutually orthogonal axes. In this method, we use standing-wave phase shifts to move particles or cells in-plane, whereas the amplitude of acoustic vibrations is used to control particle motion along an orthogonal plane. We demonstrate, through controlled experiments guided by simulations, how acoustic vibrations result in micromanipulations in a microfluidic chamber by invoking physical principles that underlie the formation and regulation of complex, volumetric trapping nodes of particles and biological cells. We further show how 3D acoustic tweezers can be used to pick up, translate, and print single cells and cell assemblies to create 2D and 3D structures in a precise, noninvasive, label-free, and contact-free manner.
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NASA Astrophysics Data System (ADS)
Conny, Joseph M.; Ortiz-Montalvo, Diana L.
2017-09-01
We show the effect of composition heterogeneity and shape on the optical properties of urban dust particles based on the three-dimensional spatial and optical modeling of individual particles. Using scanning electron microscopy/energy-dispersive X-ray spectroscopy (SEM/EDX) and focused ion beam (FIB) tomography, spatial models of particles collected in Los Angeles and Seattle accounted for surface features, inclusions, and voids, as well as overall composition and shape. Using voxel data from the spatial models and the discrete dipole approximation method, we report extinction efficiency, asymmetry parameter, and single-scattering albedo (SSA). Test models of the particles involved (1) the particle's actual morphology as a single homogeneous phase and (2) simple geometric shapes (spheres, cubes, and tetrahedra) depicting composition homogeneity or heterogeneity (with multiple spheres). Test models were compared with a reference model, which included the particle's actual morphology and heterogeneity based on SEM/EDX and FIB tomography. Results show particle shape to be a more important factor for determining extinction efficiency than accounting for individual phases in a particle, regardless of whether absorption or scattering dominated. In addition to homogeneous models with the particles' actual morphology, tetrahedral geometric models provided better extinction accuracy than spherical or cubic models. For iron-containing heterogeneous particles, the asymmetry parameter and SSA varied with the composition of the iron-containing phase, even if the phase was <10% of the particle volume. For particles containing loosely held phases with widely varying refractive indexes (i.e., exhibiting "severe" heterogeneity), only models that account for heterogeneity may sufficiently determine SSA.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Dong, Bin
2015-01-01
Optical microscopy imaging of single molecules and single particles is an essential method for studying fundamental biological and chemical processes at the molecular and nanometer scale. The best spatial resolution (~ λ/2) achievable in traditional optical microscopy is governed by the diffraction of light. However, single molecule-based super-localization and super-resolution microscopy imaging techniques have emerged in the past decade. Individual molecules can be localized with nanometer scale accuracy and precision for studying of biological and chemical processes.This work uncovered the heterogeneous properties of the pore structures. In this dissertation, the coupling of molecular transport and catalytic reaction at the singlemore » molecule and single particle level in multilayer mesoporous nanocatalysts was elucidated. Most previous studies dealt with these two important phenomena separately. A fluorogenic oxidation reaction of non-fluorescent amplex red to highly fluorescent resorufin was tested. The diffusion behavior of single resorufin molecules in aligned nanopores was studied using total internal reflection fluorescence microscopy (TIRFM).« less
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NASA Astrophysics Data System (ADS)
Marsden, N. A.; Allan, J. D.; Flynn, M.; Ullrich, R.; Moehler, O.; Coe, H.
2017-12-01
The mineralogy of individual dust particles is important for atmospheric processes because mineralogy influences optical properties, their potential to act as ice nucleating particles (INP) and geochemical cycling of elements to the ocean. Bulk mineralogy of transported mineral dust has been shown to be a reflection of the source area and size fractionation during transport. Online characterisation of single particle mineralogy is highly desirable as the composition of individual particles can be reported at a temporal resolution that is relevant to atmospheric processes. Single particle mass spectrometry (SPMS) has indentified and characterised the composition of ambient dust particles but is hampered by matrix effects that result in a non-quantatative measurement of composition. The work presented describes a comparison of mass spectral characteristics of sub 2.5μm particle fractions generated from; i) nominally pure samples from the clay mineral society (CMS), ii) soil samples collected from potential source areas in North Africa and iii) ambient measurement of transported African dust made at the Cape Verde Islands. Using a novel approach to analyse the mass spectra, the distinct characteristics of the various dust samples are obtained from the online measurements. Using this technique it was observed that dust generated from sources on the North West Margin of the Sahara Desert have distinct characteristics of illite in contrast to the kaolinitic characteristics of dust generated from sources in the Sahel. These methods offer great potential for describing the hourly variation in the source and mineralogy of transported mineral dust and the online differentiation of mineral phase in multi-mineralic dust samples.
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Displacement of particles in microfluidics by laser-generated tandem bubbles
NASA Astrophysics Data System (ADS)
Lautz, Jaclyn; Sankin, Georgy; Yuan, Fang; Zhong, Pei
2010-11-01
The dynamic interaction between laser-generated tandem bubble and individual polystyrene particles of 2 and 10 μm in diameter is studied in a microfluidic channel (25 μm height) by high-speed imaging and particle image velocimetry. The asymmetric collapse of the tandem bubble produces a pair of microjets and associated long-lasting vortices that can propel a single particle to a maximum velocity of 1.4 m/s in 30 μs after the bubble collapse with a resultant directional displacement up to 60 μm in 150 μs. This method may be useful for high-throughput cell sorting in microfluidic devices.
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Yang, Jian; Ma, Shexia; Gao, Bo; Li, Xiaoying; Zhang, Yanjun; Cai, Jing; Li, Mei; Yao, Ling'ai; Huang, Bo; Zheng, Mei
2017-09-01
In order to accurately apportion the many distinct types of individual particles observed, it is necessary to characterize fingerprints of individual particles emitted directly from known sources. In this study, single particle mass spectral signatures from vehicle exhaust particles in a tunnel were performed. These data were used to evaluate particle signatures in a real-world PM 2.5 apportionment study. The dominant chemical type originating from average positive and negative mass spectra for vehicle exhaust particles are EC species. Four distinct particle types describe the majority of particles emitted by vehicle exhaust particles in this tunnel. Each particle class is labeled according to the most significant chemical features in both average positive and negative mass spectral signatures, including ECOC, NaK, Metal and PAHs species. A single particle aerosol mass spectrometry (SPAMS) was also employed during the winter of 2013 in Guangzhou to determine both the size and chemical composition of individual atmospheric particles, with vacuum aerodynamic diameter (d va ) in the size range of 0.2-2μm. A total of 487,570 particles were chemically analyzed with positive and negative ion mass spectra and a large set of single particle mass spectra was collected and analyzed in order to identify the speciation. According to the typical tracer ions from different source types and classification by the ART-2a algorithm which uses source fingerprints for apportioning ambient particles, the major sources of single particles were simulated. Coal combustion, vehicle exhaust, and secondary ion were the most abundant particle sources, contributing 28.5%, 17.8%, and 18.2%, respectively. The fraction with vehicle exhaust species particles decreased slightly with particle size in the condensation mode particles. Copyright © 2017 Elsevier B.V. All rights reserved.
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Analysis of Streamline Separation at Infinity Using Time-Discrete Markov Chains.
Reich, W; Scheuermann, G
2012-12-01
Existing methods for analyzing separation of streamlines are often restricted to a finite time or a local area. In our paper we introduce a new method that complements them by allowing an infinite-time-evaluation of steady planar vector fields. Our algorithm unifies combinatorial and probabilistic methods and introduces the concept of separation in time-discrete Markov-Chains. We compute particle distributions instead of the streamlines of single particles. We encode the flow into a map and then into a transition matrix for each time direction. Finally, we compare the results of our grid-independent algorithm to the popular Finite-Time-Lyapunov-Exponents and discuss the discrepancies.
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Dynamic fracture behavior of single and contacting Poly(methyl methacrylate) particles
DOE Office of Scientific and Technical Information (OSTI.GOV)
Parab, Niranjan D.; Guo, Zherui; Hudspeth, Matthew C.
Fracture behaviors of single, two, and multiple contacting spherical Poly (methyl methacrylate) (PMMA) particles were recorded using high speed synchrotron X-ray phase contrast imaging. A miniaturized Kolsky bar setup was used to apply dynamic compressive loading on the PMMA particles. In both single and two particle experiments, cracking initiated near the center of the particles and propagated towards the contacts. The crack bifurcated near the contact points for single particle experiments, thus forming conical fragments. The crack bifurcation and subsequent conical fragment formation was observed only at the particle-particle contact for two particle experiments. The particles were observed to fracturemore » in hemispherical fragments normal to the contact plane in the multiparticle experiments. The observed failure mechanisms strongly suggest that the maximum tensile stress near the center of the particle is the critical parameter governing fracture of the particles. Moreover, the compressive stress under the contact areas led to the bifurcation and subsequent conical fragment formation.« less
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Dynamic fracture behavior of single and contacting Poly(methyl methacrylate) particles
Parab, Niranjan D.; Guo, Zherui; Hudspeth, Matthew C.; ...
2017-09-19
Fracture behaviors of single, two, and multiple contacting spherical Poly (methyl methacrylate) (PMMA) particles were recorded using high speed synchrotron X-ray phase contrast imaging. A miniaturized Kolsky bar setup was used to apply dynamic compressive loading on the PMMA particles. In both single and two particle experiments, cracking initiated near the center of the particles and propagated towards the contacts. The crack bifurcated near the contact points for single particle experiments, thus forming conical fragments. The crack bifurcation and subsequent conical fragment formation was observed only at the particle-particle contact for two particle experiments. The particles were observed to fracturemore » in hemispherical fragments normal to the contact plane in the multiparticle experiments. The observed failure mechanisms strongly suggest that the maximum tensile stress near the center of the particle is the critical parameter governing fracture of the particles. Moreover, the compressive stress under the contact areas led to the bifurcation and subsequent conical fragment formation.« less
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Two-component relativistic coupled-cluster methods using mean-field spin-orbit integrals
NASA Astrophysics Data System (ADS)
Liu, Junzi; Shen, Yue; Asthana, Ayush; Cheng, Lan
2018-01-01
A novel implementation of the two-component spin-orbit (SO) coupled-cluster singles and doubles (CCSD) method and the CCSD augmented with the perturbative inclusion of triple excitations [CCSD(T)] method using mean-field SO integrals is reported. The new formulation of SO-CCSD(T) features an atomic-orbital-based algorithm for the particle-particle ladder term in the CCSD equation, which not only removes the computational bottleneck associated with the large molecular-orbital integral file but also accelerates the evaluation of the particle-particle ladder term by around a factor of 4 by taking advantage of the spin-free nature of the instantaneous electron-electron Coulomb interaction. Benchmark calculations of the SO splittings for the thallium atom and a set of diatomic 2Π radicals as well as of the bond lengths and harmonic frequencies for a set of closed-shell diatomic molecules are presented. The basis-set and core-correlation effects in the calculations of these properties have been carefully analyzed.
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Abrego, Zuriñe; Grijalba, Nagore; Unceta, Nora; Maguregui, Maite; Sanchez, Alicia; Fernández-Isla, Alberto; Goicolea, M Aranzazu; Barrio, Ramón J
2014-12-07
A method based on scanning laser ablation and inductively coupled plasma-mass spectrometry (SLA-ICPMS) and Raman micro-spectroscopy for the detection and identification of compounds consistent with gunshot residue particles (GSR) has been developed. The method has been applied to the characterization of particles resulting from the discharge of firearms using lead-free ammunition. Modified tape lifts were used to collect the inorganic and organic residues from skin surfaces in a single sample. Using SLA-ICPMS, aggregates related to the composition of the ammunition, such as Cu-Zn-Sn, Zr-Sr, Cu-Zn, Al-Ti, or Al-Sr-Zr were detected, but this composition is only consistent with GSR from lead-free ammunitions. Additional evidence was provided by micro-Raman spectroscopy, which identified the characteristic organic groups of the particles as centralite, diphenylamine or their nitrated derivatives, which are indicative of GSR.
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Sanganwar, Ganesh P; Sathigari, Sateeshkumar; Babu, R Jayachandra; Gupta, Ram B
2010-01-31
Microparticles of a poorly water-soluble model drug, nevirapine (NEV) were prepared by supercritical antisolvent (SAS) method and simultaneously deposited on the surface of excipients such as lactose and microcrystalline cellulose in a single step to reduce drug-drug particle aggregation. In the proposed method, termed supercritical antisolvent-drug excipient mixing (SAS-DEM), drug particles were precipitated in supercritical CO(2) vessel containing excipient particles in suspended state. Drug/excipient mixtures were characterized for surface morphology, crystallinity, drug-excipient physico-chemical interactions, and molecular state of drug. In addition, the drug content uniformity and dissolution rate were determined. A highly ordered NEV-excipient mixture was produced. The SAS-DEM treatment was effective in overcoming drug-drug particle aggregation and did not affect the crystallinity or physico-chemical properties of NEV. The produced drug/excipient mixture has a significantly faster dissolution rate as compared to SAS drug microparticles alone or when physically mixed with the excipients. Copyright 2009 Elsevier B.V. All rights reserved.
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Tapered fiber optical tweezers for microscopic particle trapping: fabrication and application
NASA Astrophysics Data System (ADS)
Liu, Zhihai; Guo, Chengkai; Yang, Jun; Yuan, Libo
2006-12-01
A novel single tapered fiber optical tweezers is proposed and fabricated by heating and drawing technology. The microscopic particle tapping performance of this special designed tapered fiber probe is demonstrated and investigated. The distribution of the optical field emerging from the tapered fiber tip is numerically calculated based on the beam propagation method. The trapping force FDTD analysis results, both axial and transverse, are also given.
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Single droplet drying step characterization in microsphere preparation.
Al Zaitone, Belal; Lamprecht, Alf
2013-05-01
Spray drying processes are difficult to characterize since process parameters are not directly accessible. Acoustic levitation was used to investigate microencapsulation by spray drying on one single droplet facilitating the analyses of droplet behavior upon drying. Process parameters were simulated on a poly(lactide-co-glycolide)/ethyl acetate combination for microencapsulation. The results allowed quantifying the influence of process parameters such as temperature (0-40°C), polymer concentration (5-400 mg/ml), and droplet size (0.5-1.37 μl) on the drying time and drying kinetics as well as the particle morphology. The drying of polymer solutions at temperature of 21°C and concentration of 5 mg/ml, shows that the dimensionless particle diameter (Dp/D0) approaches 0.25 and the particle needs 350 s to dry. At 400 mg/ml, Dp/D0=0.8 and the drying time increases to one order of magnitude and a hollow particle is formed. The study demonstrates the benefit of using the acoustic levitator as a lab scale method to characterize and study the microparticle formation. This method can be considered as a helpful tool to mimic the full scale spray drying process by providing identical operational parameters such as air velocity, temperature, and variable droplet sizes. Copyright © 2013 Elsevier B.V. All rights reserved.
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Ahmadi, Sheida; Bowles, Richard K
2017-04-21
Particles confined to a single file, in a narrow quasi-one-dimensional channel, exhibit a dynamic crossover from single file diffusion to Fickian diffusion as the channel radius increases and the particles begin to pass each other. The long time diffusion coefficient for a system in the crossover regime can be described in terms of a hopping time, which measures the time it takes for a particle to escape the cage formed by its neighbours. In this paper, we develop a transition state theory approach to the calculation of the hopping time, using the small system isobaric-isothermal ensemble to rigorously account for the volume fluctuations associated with the size of the cage. We also describe a Monte Carlo simulation scheme that can be used to calculate the free energy barrier for particle hopping. The theory and simulation method correctly predict the hopping times for a two-dimensional confined ideal gas system and a system of confined hard discs over a range of channel radii, but the method breaks down for wide channels in the hard discs' case, underestimating the height of the hopping barrier due to the neglect of interactions between the small system and its surroundings.
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Microfabricated particle focusing device
Ravula, Surendra K.; Arrington, Christian L.; Sigman, Jennifer K.; Branch, Darren W.; Brener, Igal; Clem, Paul G.; James, Conrad D.; Hill, Martyn; Boltryk, Rosemary June
2013-04-23
A microfabricated particle focusing device comprises an acoustic portion to preconcentrate particles over large spatial dimensions into particle streams and a dielectrophoretic portion for finer particle focusing into single-file columns. The device can be used for high throughput assays for which it is necessary to isolate and investigate small bundles of particles and single particles.
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NASA Astrophysics Data System (ADS)
Shields, Laura Grace
Composed of a mixture of chemical species and phases and existing in a variety of shapes and sizes, atmospheric aerosols are complex and can have serious influence on human health, the environment, and climate. In order to better understand the impact of aerosols on local to global scales, detailed measurements on the physical and chemical properties of ambient particles are essential. In addition, knowing the origin or the source of the aerosols is important for policymakers to implement targeted regulations and effective control strategies to reduce air pollution in their region. One of the most ground breaking techniques in aerosol instrumentation is single particle mass spectrometry (SPMS), which can provide online chemical composition and size information on the individual particle level. The primary focus of this work is to further improve the ability of one specific SPMS technique, aerosol time-of-flight mass spectrometry (ATOFMS), for the use of identifying the specific origin of ambient aerosols, which is known as source apportionment. The ATOFMS source apportionment method utilizes a library of distinct source mass spectral signatures to match the chemical information of the single ambient particles. The unique signatures are obtained in controlled source characterization studies, such as with the exhaust emissions of heavy duty diesel vehicles (HDDV) operating on a dynamometer. The apportionment of ambient aerosols is complicated by the chemical and physical processes an individual particle can undergo as it spends time in the atmosphere, which is referred to as "aging" of the aerosol. Therefore, the performance of the source signature library technique was investigated on the ambient dataset of the highly aged environment of Riverside, California. Additionally, two specific subsets of the Riverside dataset (ultrafine particles and particles containing trace metals), which are known to cause adverse health effects, were probed in greater detail. Finally, the impact of large wildfires on the ambient levels of particulate matter in Southern California is discussed. The results of this work provide insight into single particles impacting the Southern California region, the relative source contributions to this region, and finally an examination of how atmospheric aging influences the ability to perform source apportionment.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Pan, Wenxiao; Daily, Michael D.; Baker, Nathan A.
2015-12-01
We demonstrate the accuracy and effectiveness of a Lagrangian particle-based method, smoothed particle hydrodynamics (SPH), to study diffusion in biomolecular systems by numerically solving the time-dependent Smoluchowski equation for continuum diffusion. The numerical method is first verified in simple systems and then applied to the calculation of ligand binding to an acetylcholinesterase monomer. Unlike previous studies, a reactive Robin boundary condition (BC), rather than the absolute absorbing (Dirichlet) boundary condition, is considered on the reactive boundaries. This new boundary condition treatment allows for the analysis of enzymes with "imperfect" reaction rates. Rates for inhibitor binding to mAChE are calculated atmore » various ionic strengths and compared with experiment and other numerical methods. We find that imposition of the Robin BC improves agreement between calculated and experimental reaction rates. Although this initial application focuses on a single monomer system, our new method provides a framework to explore broader applications of SPH in larger-scale biomolecular complexes by taking advantage of its Lagrangian particle-based nature.« less
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Detection of molecular particles in live cells via machine learning.
Jiang, Shan; Zhou, Xiaobo; Kirchhausen, Tom; Wong, Stephen T C
2007-08-01
Clathrin-coated pits play an important role in removing proteins and lipids from the plasma membrane and transporting them to the endosomal compartment. It is, however, still unclear whether there exist "hot spots" for the formation of Clathrin-coated pits or the pits and arrays formed randomly on the plasma membrane. To answer this question, first of all, many hundreds of individual pits need to be detected accurately and separated in live-cell microscope movies to capture and monitor how pits and vesicles were formed. Because of the noisy background and the low contrast of the live-cell movies, the existing image analysis methods, such as single threshold, edge detection, and morphological operation, cannot be used. Thus, this paper proposes a machine learning method, which is based on Haar features, to detect the particle's position. Results show that this method can successfully detect most of particles in the image. In order to get the accurate boundaries of these particles, several post-processing methods are applied and signal-to-noise ratio analysis is also performed to rule out the weak spots. Copyright 2007 International Society for Analytical Cytology.
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Boundary based on exchange symmetry theory for multilevel simulations. I. Basic theory.
Shiga, Motoyuki; Masia, Marco
2013-07-28
In this paper, we lay the foundations for a new method that allows multilevel simulations of a diffusive system, i.e., a system where a flux of particles through the boundaries might disrupt the primary region. The method is based on the use of flexible restraints that maintain the separation between inner and outer particles. It is shown that, by introducing a bias potential that accounts for the exchange symmetry of the system, the correct statistical distribution is preserved. Using a toy model consisting of non-interacting particles in an asymmetric potential well, we prove that the method is formally exact, and that it could be simplified by considering only up to a couple of particle exchanges without a loss of accuracy. A real-world test is then made by considering a hybrid MM(∗)/MM calculation of cesium ion in water. In this case, the single exchange approximation is sound enough that the results superimpose to the exact solutions. Potential applications of this method to many different hybrid QM/MM systems are discussed, as well as its limitations and strengths in comparison to existing approaches.
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Studying generalised dark matter interactions with extended halo-independent methods
DOE Office of Scientific and Technical Information (OSTI.GOV)
Kahlhoefer, Felix; Wild, Sebastian
2016-10-20
The interpretation of dark matter direct detection experiments is complicated by the fact that neither the astrophysical distribution of dark matter nor the properties of its particle physics interactions with nuclei are known in detail. To address both of these issues in a very general way we develop a new framework that combines the full formalism of non-relativistic effective interactions with state-of-the-art halo-independent methods. This approach makes it possible to analyse direct detection experiments for arbitrary dark matter interactions and quantify the goodness-of-fit independent of astrophysical uncertainties. We employ this method in order to demonstrate that the degeneracy between astrophysicalmore » uncertainties and particle physics unknowns is not complete. Certain models can be distinguished in a halo-independent way using a single ton-scale experiment based on liquid xenon, while other models are indistinguishable with a single experiment but can be separated using combined information from several target elements.« less
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NASA Astrophysics Data System (ADS)
Cross, E. S.; Onasch, T. B.; Canagaratna, M.; Jayne, J. T.; Kimmel, J.; Yu, X.-Y.; Alexander, M. L.; Worsnop, D. R.; Davidovits, P.
2008-12-01
We present the first single particle results obtained using an Aerodyne time-of-flight aerosol mass spectrometer coupled with a light scattering module (LS-ToF-AMS). The instrument was deployed at the T1 ground site approximately 40 km northeast of the Mexico City Metropolitan Area (MCMA) as part of the MILAGRO field study in March of 2006. The instrument was operated as a standard AMS from 12-30 March, acquiring average chemical composition and size distributions for the ambient aerosol, and in single particle mode from 27-30 March. Over a 75-h sampling period, 12 853 single particle mass spectra were optically triggered, saved, and analyzed. The correlated optical and chemical detection allowed detailed examination of single particle collection and quantification within the LS-ToF-AMS. The single particle data enabled the mixing states of the ambient aerosol to be characterized within the context of the size-resolved ensemble chemical information. The particulate mixing states were examined as a function of sampling time and most of the particles were found to be internal mixtures containing many of the organic and inorganic species identified in the ensemble analysis. The single particle mass spectra were deconvolved, using techniques developed for ensemble AMS data analysis, into HOA, OOA, NH4NO3, (NH4)2SO4, and NH4Cl fractions. Average single particle mass and chemistry measurements are shown to be in agreement with ensemble MS and PTOF measurements. While a significant fraction of ambient particles were internal mixtures of varying degrees, single particle measurements of chemical composition allowed the identification of time periods during which the ambient ensemble was externally mixed. In some cases the chemical composition of the particles suggested a likely source. Throughout the full sampling period, the ambient ensemble was an external mixture of combustion-generated HOA particles from local sources (e.g. traffic), with number concentrations peaking during morning rush hour (04:00-08:00 LT) each day, and more processed particles of mixed composition from nonspecific sources. From 09:00-12:00 LT all particles within the ambient ensemble, including the locally produced HOA particles, became coated with NH4NO3 due to photochemical production of HNO3. The number concentration of externally mixed HOA particles remained low during daylight hours. Throughout the afternoon the OOA component dominated the organic fraction of the single particles, likely due to secondary organic aerosol formation and condensation. Single particle mass fractions of (NH4)2SO4 were lowest during the day and highest during the night. In one instance, gas-to-particle condensation of (NH4)2SO4 was observed on all measured particles within a strong SO2 plume arriving at T1 from the northwest. Particles with high NH4Cl mass fractions were identified during early morning periods. A limited number of particles (~5% of the total number) with mass spectral features characteristic of biomass burning were also identified.
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NASA Astrophysics Data System (ADS)
Hartman, John; Kirby, Brian
2017-03-01
Nanoparticle tracking analysis, a multiprobe single particle tracking technique, is a widely used method to quickly determine the concentration and size distribution of colloidal particle suspensions. Many popular tools remove non-Brownian components of particle motion by subtracting the ensemble-average displacement at each time step, which is termed dedrifting. Though critical for accurate size measurements, dedrifting is shown here to introduce significant biasing error and can fundamentally limit the dynamic range of particle size that can be measured for dilute heterogeneous suspensions such as biological extracellular vesicles. We report a more accurate estimate of particle mean-square displacement, which we call decorrelation analysis, that accounts for correlations between individual and ensemble particle motion, which are spuriously introduced by dedrifting. Particle tracking simulation and experimental results show that this approach more accurately determines particle diameters for low-concentration polydisperse suspensions when compared with standard dedrifting techniques.
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Particle-fluid interactions for flow measurements
NASA Technical Reports Server (NTRS)
Berman, N. S.
1973-01-01
Study has been made of the motion of single particle and of group of particles, emphasizing solid particles in gaseous fluid. Velocities of fluid and particle are compared for several conditions of physical interest. Mean velocity and velocity fluctuations are calculated for single particle, and some consideration is given to multiparticle systems.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Preston, Thomas C.; Davies, James F.; Wilson, Kevin R.
A new method for measuring diffusion in the condensed phase of single aerosol particles is proposed and demonstrated. The technique is based on the frequency-dependent response of a binary particle to oscillations in the vapour phase of one of its chemical components. Here, we discuss how this physical situation allows for what would typically be a non-linear boundary value problem to be approximately reduced to a linear boundary value problem. For the case of aqueous aerosol particles, we investigate the accuracy of the closed-form analytical solution to this linear problem through a comparison with the numerical solution of the fullmore » problem. Then, using experimentally measured whispering gallery modes to track the frequency-dependent response of aqueous particles to relative humidity oscillations, we determine diffusion coefficients as a function of water activity. The measured diffusion coefficients are compared to previously reported values found using the two common experiments: (i) the analysis of the sorption/desorption of water from a particle after a step-wise change to the surrounding relative humidity and (ii) the isotopic exchange of water between a particle and the vapour phase. The technique presented here has two main strengths: first, when compared to the sorption/desorption experiment, it does not require the numerical evaluation of a boundary value problem during the fitting process as a closed-form expression is available. Second, when compared to the isotope exchange experiment, it does not require the use of labeled molecules. Therefore, the frequency-dependent experiment retains the advantages of these two commonly used methods but does not suffer from their drawbacks.« less
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NASA Astrophysics Data System (ADS)
Mackevica, Aiga; Olsson, Mikael Emil; Hansen, Steffen Foss
2018-01-01
TiO2 is ubiquitously present in a wide range of everyday items, both as an intentionally incorporated additive and naturally occurring constituent. It can be found in a wide range of consumer products, including personal care products, food contact materials, and textiles. Normal use of these products may lead to consumer and/or environmental exposure to TiO2, possibly in form of nanoparticles. The aim of this study is to perform a leaching test and apply state-of-the-art methods to investigate nano-TiO2 and total Ti release from five types of commercially available conventional textiles: table placemats, wet wipes, microfiber cloths, and two types of baby bodysuits, with Ti contents ranging from 2.63 to 1448 μg/g. Released particle analysis was performed using conventional and single particle inductively coupled plasma mass spectrometry (ICP-MS and spICP-MS), in conjunction with transmission electron microscopy (TEM), to measure total and particulate TiO2 release by mass and particle number, as well as size distribution. Less than 1% of the initial Ti content was released over 24 h of leaching, with the highest releases reaching 3.13 μg/g. The fraction of nano-TiO2 released varied among fabric types and represented 0-80% of total TiO2 release. Particle mode sizes were 50-75 nm, and TEM imaging revealed particles in sizes of 80-200 nm. This study highlights the importance of using a multi-method approach to obtain quantitative release data that is able to provide an indication regarding particle number, size distribution, and mass concentration, all of which can help in understanding the fate and exposure of nanoparticles.
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Preston, Thomas C.; Davies, James F.; Wilson, Kevin R.
2017-01-13
A new method for measuring diffusion in the condensed phase of single aerosol particles is proposed and demonstrated. The technique is based on the frequency-dependent response of a binary particle to oscillations in the vapour phase of one of its chemical components. Here, we discuss how this physical situation allows for what would typically be a non-linear boundary value problem to be approximately reduced to a linear boundary value problem. For the case of aqueous aerosol particles, we investigate the accuracy of the closed-form analytical solution to this linear problem through a comparison with the numerical solution of the fullmore » problem. Then, using experimentally measured whispering gallery modes to track the frequency-dependent response of aqueous particles to relative humidity oscillations, we determine diffusion coefficients as a function of water activity. The measured diffusion coefficients are compared to previously reported values found using the two common experiments: (i) the analysis of the sorption/desorption of water from a particle after a step-wise change to the surrounding relative humidity and (ii) the isotopic exchange of water between a particle and the vapour phase. The technique presented here has two main strengths: first, when compared to the sorption/desorption experiment, it does not require the numerical evaluation of a boundary value problem during the fitting process as a closed-form expression is available. Second, when compared to the isotope exchange experiment, it does not require the use of labeled molecules. Therefore, the frequency-dependent experiment retains the advantages of these two commonly used methods but does not suffer from their drawbacks.« less
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Donovan, Ariel R; Adams, Craig D; Ma, Yinfa; Stephan, Chady; Eichholz, Todd; Shi, Honglan
2016-02-01
One of the most direct means for human exposure to nanoparticles (NPs) released into the environment is drinking water. Therefore, it is critical to understand the occurrence and fate of NPs in drinking water systems. The objectives of this study were to develop rapid and reliable analytical methods and apply them to investigate the fate and transportation of NPs during drinking water treatments. Rapid single particle ICP-MS (SP-ICP-MS) methods were developed to characterize and quantify titanium-containing, titanium dioxide, silver, and gold NP concentration, size, size distribution, and dissolved metal element concentration in surface water and treated drinking water. The effectiveness of conventional drinking water treatments (including lime softening, alum coagulation, filtration, and disinfection) to remove NPs from surface water was evaluated using six-gang stirrer jar test simulations. The selected NPs were nearly completely (97 ± 3%) removed after lime softening and alum coagulation/activated carbon adsorption treatments. Additionally, source and drinking waters from three large drinking water treatment facilities utilizing similar treatments with the simulation test were collected and analyzed by the SP-ICP-MS methods. Ti-containing particles and dissolved Ti were present in the river water samples, but Ag and Au were not present. Treatments used at each drinking water treatment facility effectively removed over 93% of the Ti-containing particles and dissolved Ti from the source water. Copyright © 2015 Elsevier Ltd. All rights reserved.
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NASA Astrophysics Data System (ADS)
Klüser, Lars; Di Biagio, Claudia; Kleiber, Paul D.; Formenti, Paola; Grassian, Vicki H.
2016-07-01
Optical properties (extinction efficiency, single scattering albedo, asymmetry parameter and scattering phase function) of five different desert dust minerals have been calculated with an asymptotic approximation approach (AAA) for non-spherical particles. The AAA method combines Rayleigh-limit approximations with an asymptotic geometric optics solution in a simple and straightforward formulation. The simulated extinction spectra have been compared with classical Lorenz-Mie calculations as well as with laboratory measurements of dust extinction. This comparison has been done for single minerals and with bulk dust samples collected from desert environments. It is shown that the non-spherical asymptotic approximation improves the spectral extinction pattern, including position of the extinction peaks, compared to the Lorenz-Mie calculations for spherical particles. Squared correlation coefficients from the asymptotic approach range from 0.84 to 0.96 for the mineral components whereas the corresponding numbers for Lorenz-Mie simulations range from 0.54 to 0.85. Moreover the blue shift typically found in Lorenz-Mie results is not present in the AAA simulations. The comparison of spectra simulated with the AAA for different shape assumptions suggests that the differences mainly stem from the assumption of the particle shape and not from the formulation of the method itself. It has been shown that the choice of particle shape strongly impacts the quality of the simulations. Additionally, the comparison of simulated extinction spectra with bulk dust measurements indicates that within airborne dust the composition may be inhomogeneous over the range of dust particle sizes, making the calculation of reliable radiative properties of desert dust even more complex.
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NASA Astrophysics Data System (ADS)
Gruy, Frédéric
2014-02-01
Depending on the range of size and the refractive index value, an optically soft particle follows Rayleigh-Debye-Gans or RDG approximation or Van de Hulst approximation. Practically the first one is valid for small particles whereas the second one works for large particles. Klett and Sutherland (Klett JD, Sutherland RA. App. Opt. 1992;31:373) proved that the Wentzel-Kramers-Brillouin or WKB approximation leads to accurate values of the differential scattering cross section of sphere and cylinder over a wide range of size. In this paper we extend the work of Klett and Sutherland by proposing a method allowing a fast calculation of the differential scattering cross section for any shape of particle with a given orientation and illuminated by unpolarized light. Our method is based on a geometrical approximation of the particle by replacing each geometrical cross section by an ellipse and then by exactly evaluating the differential scattering cross section of the newly generated body. The latter one contains only two single integrals.
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Holographic particle size extraction by using Wigner-Ville distribution
NASA Astrophysics Data System (ADS)
Chuamchaitrakool, Porntip; Widjaja, Joewono; Yoshimura, Hiroyuki
2014-06-01
A new method for measuring object size from in-line holograms by using Wigner-Ville distribution (WVD) is proposed. The proposed method has advantages over conventional numerical reconstruction in that it is free from iterative process and it can extract the object size and position with only single computation of the WVD. Experimental verification of the proposed method is presented.
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Dosimetry of heavy ions by use of CCD detectors
NASA Technical Reports Server (NTRS)
Schott, J. U.
1994-01-01
The design and the atomic composition of Charge Coupled Devices (CCD's) make them unique for investigations of single energetic particle events. As detector system for ionizing particles they detect single particles with local resolution and near real time particle tracking. In combination with its properties as optical sensor, particle transversals of single particles are to be correlated to any objects attached to the light sensitive surface of the sensor by simple imaging of their shadow and subsequent image analysis of both, optical image and particle effects, observed in affected pixels. With biological objects it is possible for the first time to investigate effects of single heavy ions in tissue or extinguished organs of metabolizing (i.e. moving) systems with a local resolution better than 15 microns. Calibration data for particle detection in CCD's are presented for low energetic protons and heavy ions.
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Method for genetic identification of unknown organisms
Colston, Jr., Billy W.; Fitch, Joseph P.; Hindson, Benjamin J.; Carter, Chance J.; Beer, Neil Reginald
2016-08-23
A method of rapid, genome and proteome based identification of unknown pathogenic or non-pathogenic organisms in a complex sample. The entire sample is analyzed by creating millions of emulsion encapsulated microdroplets, each containing a single pathogenic or non-pathogenic organism sized particle and appropriate reagents for amplification. Following amplification, the amplified product is analyzed.
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Ultra-small dye-doped silica nanoparticles via modified sol-gel technique.
Riccò, R; Nizzero, S; Penna, E; Meneghello, A; Cretaio, E; Enrichi, F
2018-01-01
In modern biosensing and imaging, fluorescence-based methods constitute the most diffused approach to achieve optimal detection of analytes, both in solution and on the single-particle level. Despite the huge progresses made in recent decades in the development of plasmonic biosensors and label-free sensing techniques, fluorescent molecules remain the most commonly used contrast agents to date for commercial imaging and detection methods. However, they exhibit low stability, can be difficult to functionalise, and often result in a low signal-to-noise ratio. Thus, embedding fluorescent probes into robust and bio-compatible materials, such as silica nanoparticles, can substantially enhance the detection limit and dramatically increase the sensitivity. In this work, ultra-small fluorescent silica nanoparticles (NPs) for optical biosensing applications were doped with a fluorescent dye, using simple water-based sol-gel approaches based on the classical Stöber procedure. By systematically modulating reaction parameters, controllable size tuning of particle diameters as low as 10 nm was achieved. Particles morphology and optical response were evaluated showing a possible single-molecule behaviour, without employing microemulsion methods to achieve similar results. Graphical abstractWe report a simple, cheap, reliable protocol for the synthesis and systematic tuning of ultra-small (< 10 nm) dye-doped luminescent silica nanoparticles.
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Dan, Yongbo; Ma, Xingmao; Zhang, Weilan; Liu, Kun; Stephan, Chady; Shi, Honglan
2016-07-01
Cerium dioxide nanoparticles (CeO2NPs) are among the most broadly used engineered nanoparticles that will be increasingly released into the environment. Thus, understanding their uptake, transportation, and transformation in plants, especially food crops, is critical because it represents a potential pathway for human consumption. One of the primary challenges for the endeavor is the inadequacy of current analytical methodologies to characterize and quantify the nanomaterial in complex biological samples at environmentally relevant concentrations. Herein, a method was developed using single particle-inductively coupled plasma-mass spectrometry (SP-ICP-MS) technology to simultaneously detect the size and size distribution of particulate Ce, particle concentration, and dissolved cerium in the shoots of four plant species including cucumber, tomato, soybean, and pumpkin. An enzymatic digestion method with Macerozyme R-10 enzyme previously used for gold nanoparticle extraction from the tomato plant was adapted successfully for CeO2NP extraction from all four plant species. This study is the first to report and demonstrate the presence of dissolved cerium in plant seedling shoots exposed to CeO2NPs hydroponically. The extent of plant uptake and accumulation appears to be dependent on the plant species, requiring further systematic investigation of the mechanisms.
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Sathigari, Sateesh Kumar; Ober, Courtney A; Sanganwar, Ganesh P; Gupta, Ram B; Babu, R Jayachandra
2011-07-01
Itraconazole (ITZ) microflakes were produced by supercritical antisolvent (SAS) method and simultaneously mixed with pharmaceutical excipients in a single step to prevent drug agglomeration. Simultaneous ITZ particle formation and mixing with fast-flo lactose (FFL) was performed in a high-pressure stirred vessel at 116 bar and 40 °C by the SAS-drug excipient mixing (SAS-DEM) method. The effects of stabilizers, such as sodium dodecyl sulfate and poloxamer 407 (PLX), on particle formation and drug dissolution were studied. Drug-excipient formulations were characterized for surface morphology, crystallinity, drug-excipient interactions, drug content uniformity, and drug dissolution rate. Mixture of drug microflakes and FFL formed by the SAS-DEM process shows that the process was successful in overcoming drug-drug agglomeration. PLX produced crystalline drug flakes in loose agglomerates with superior dissolution and flow properties even at higher drug loadings. Characterization studies confirmed the crystallinity of the drug and absence of chemical interactions during the SAS process. The dissolution of ITZ was substantially higher due to SAS and SAS-DEM processes; this improvement can be attributed to the microflake particle structures, effective deagglomeration, and wetting of the drug flakes with the excipients. Copyright © 2011 Wiley-Liss, Inc. and the American Pharmacists Association
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Satellite measurements of large-scale air pollution - Methods
NASA Technical Reports Server (NTRS)
Kaufman, Yoram J.; Ferrare, Richard A.; Fraser, Robert S.
1990-01-01
A technique for deriving large-scale pollution parameters from NIR and visible satellite remote-sensing images obtained over land or water is described and demonstrated on AVHRR images. The method is based on comparison of the upward radiances on clear and hazy days and permits simultaneous determination of aerosol optical thickness with error Delta tau(a) = 0.08-0.15, particle size with error + or - 100-200 nm, and single-scattering albedo with error + or - 0.03 (for albedos near 1), all assuming accurate and stable satellite calibration and stable surface reflectance between the clear and hazy days. In the analysis of AVHRR images of smoke from a forest fire, good agreement was obtained between satellite and ground-based (sun-photometer) measurements of aerosol optical thickness, but the satellite particle sizes were systematically greater than those measured from the ground. The AVHRR single-scattering albedo agreed well with a Landsat albedo for the same smoke.
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Hyperspherical Slater determinant approach to few-body fractional quantum Hall states
DOE Office of Scientific and Technical Information (OSTI.GOV)
Yan, Bin, E-mail: yanbin@purdue.edu; Wooten, Rachel E.; Daily, Kevin M.
2017-05-15
In a recent study (Daily et al., 2015), a hyperspherical approach has been developed to study few-body fractional quantum Hall states. This method has been successfully applied to the exploration of few boson and fermion problems in the quantum Hall region, as well as the study of inter-Landau level collective excitations (Rittenhouse et al., 2016; Wooten et al., 2016). However, the hyperspherical method as it is normally implemented requires a subsidiary (anti-)symmetrization process, which limits its computational effectiveness. The present work overcomes these difficulties and extends the power of this method by implementing a representation of the hyperspherical many-body basismore » space in terms of Slater determinants of single particle eigenfunctions. A clear connection between the hyperspherical representation and the conventional single particle picture is presented, along with a compact operator representation of the theoretical framework. - Highlights: • A hyperspherical method has been implemented to study the quantum Hall effect. • The hyperspherical many-body basis space is represented with Slater determinants. • Example numerical studies of the 4- and 8-electron systems are presented.« less
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NASA Astrophysics Data System (ADS)
Li, Kangwei; Chen, Linghong; White, Stephen J.; Han, Ke; Lv, Biao; Bao, Kaiji; Wu, Xuecheng; Gao, Xiang; Azzi, Merched; Cen, Kefa
2017-08-01
The formation and growth of new particles has recently been shown to have a significant influence on Chinese haze pollution, and sulfuric acid has long been recognized as a major contributor to new particle formation. In this study, four comparison groups of experiments related to SO2 photooxidation, as well as aerosol nucleation and growth, have been conducted in the CAPS-ZJU (Complex Air Pollution Study-Zhejiang University) smog chamber. These were conducted either under SO2/NOx or SO2/toluene gas-phase environments in the absence of seed particles. During aerosol nucleation and growth process, several physical properties such as mass, size and effective density were measured simultaneously by Scanning Mobility Particle Sizer (SMPS) and Differential Mobility Analyzer-Aerosol Particle Mass Analyzer-Condensation Particle Counter (DMA-APM-CPC). The effective density of new particles decreased from 1.8 to 1.35 g/cm3 as the particle size increased from 20 to 65 nm. The single particle mass showed good power-law relationship with mobility diameter, with an average mass-mobility exponent of 2.885. A new algorithm and a reference density of 1.38 g/cm3 based on size-resolved single particle mass (SPM) were proposed to calculate the mass concentration of new particles. Two methods based on Log Normal and Max Concentration were applied to derive particle growth rate (GR), and data merging from both methods was implemented to decrease calculation uncertainty. Meanwhile, both continuous nucleation and inhibition of further growth in sub-20 nm size range were observed in different experiments depending on composition, and possible reasons were analyzed. The presence of NO was found to suppress nucleation and subsequent aerosol growth; while the presence of NO2 or toluene promoted it. It was concluded that decreasing NOx (NO or NO2) or increasing toluene may promote SO2 photooxidation, nucleation and subsequent aerosol growth, all of which is significant for deeper understanding of complex air pollution in China.
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Detection of isolated protein-bound metal ions by single-particle cryo-STEM.
Elad, Nadav; Bellapadrona, Giuliano; Houben, Lothar; Sagi, Irit; Elbaum, Michael
2017-10-17
Metal ions play essential roles in many aspects of biological chemistry. Detecting their presence and location in proteins and cells is important for understanding biological function. Conventional structural methods such as X-ray crystallography and cryo-transmission electron microscopy can identify metal atoms on protein only if the protein structure is solved to atomic resolution. We demonstrate here the detection of isolated atoms of Zn and Fe on ferritin, using cryogenic annular dark-field scanning transmission electron microscopy (cryo-STEM) coupled with single-particle 3D reconstructions. Zn atoms are found in a pattern that matches precisely their location at the ferroxidase sites determined earlier by X-ray crystallography. By contrast, the Fe distribution is smeared along an arc corresponding to the proposed path from the ferroxidase sites to the mineral nucleation sites along the twofold axes. In this case the single-particle reconstruction is interpreted as a probability distribution function based on the average of individual locations. These results establish conditions for detection of isolated metal atoms in the broader context of electron cryo-microscopy and tomography.
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Detection of isolated protein-bound metal ions by single-particle cryo-STEM
Elad, Nadav; Bellapadrona, Giuliano; Houben, Lothar; Sagi, Irit; Elbaum, Michael
2017-01-01
Metal ions play essential roles in many aspects of biological chemistry. Detecting their presence and location in proteins and cells is important for understanding biological function. Conventional structural methods such as X-ray crystallography and cryo-transmission electron microscopy can identify metal atoms on protein only if the protein structure is solved to atomic resolution. We demonstrate here the detection of isolated atoms of Zn and Fe on ferritin, using cryogenic annular dark-field scanning transmission electron microscopy (cryo-STEM) coupled with single-particle 3D reconstructions. Zn atoms are found in a pattern that matches precisely their location at the ferroxidase sites determined earlier by X-ray crystallography. By contrast, the Fe distribution is smeared along an arc corresponding to the proposed path from the ferroxidase sites to the mineral nucleation sites along the twofold axes. In this case the single-particle reconstruction is interpreted as a probability distribution function based on the average of individual locations. These results establish conditions for detection of isolated metal atoms in the broader context of electron cryo-microscopy and tomography. PMID:28973937
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Liquid-liquid transition in the ST2 model of water
NASA Astrophysics Data System (ADS)
Debenedetti, Pablo
2013-03-01
We present clear evidence of the existence of a metastable liquid-liquid phase transition in the ST2 model of water. Using four different techniques (the weighted histogram analysis method with single-particle moves, well-tempered metadynamics with single-particle moves, weighted histograms with parallel tempering and collective particle moves, and conventional molecular dynamics), we calculate the free energy surface over a range of thermodynamic conditions, we perform a finite size scaling analysis for the free energy barrier between the coexisting liquid phases, we demonstrate the attainment of diffusive behavior, and we perform stringent thermodynamic consistency checks. The results provide conclusive evidence of a first-order liquid-liquid transition. We also show that structural equilibration in the sluggish low-density phase is attained over the time scale of our simulations, and that crystallization times are significantly longer than structural equilibration, even under deeply supercooled conditions. We place our results in the context of the theory of metastability.
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Stability of the wobbling motion in the triaxially deformed odd-A nucleus
NASA Astrophysics Data System (ADS)
Tanabe, Kosai; Sugawara-Tanabe, Kazuko
2017-12-01
In order to analyze the content of the exact solutions for particle-rotor models with both the rigid and the hydrodynamical moments of inertia (MoI), as a theoretical probe we apply the Holstein-Primakoff (HP) boson expansion method to the total angular momentum I and the single-particle angular momentum j. We study the competition between Coriolis force and the single-particle potential by employing the different choices of the diagonal HP boson representations for the components of I and j along a common coordinate axis, and along perpendicular axes. We do not find any wobbling level sequence associated with the rotation around the principal axis with the medium MoI. The staggering in the alignments of I about the axis with the medium MoI is found in the limited range of I, while the vector R(=I-j) is confined about the axis with the largest MoI.
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NASA Astrophysics Data System (ADS)
Mandecki, Wlodek; Bharill, Shashank; Borejdo, Julian; Cabral, Diana; Cooperman, Barry S.; Farrell, Ian; Fetter, Linus; Goldman, Emanuel; Gryczynski, Zygmunt; Jakubowski, Hieronim; Liu, Hanqing; Luchowski, Rafal; Matveeva, Evgenia; Pan, Dongli; Qin, Haiou; Tennant, Donald; Gryczynski, Ignacy
2008-02-01
Metallic particles, silver in particular, can significantly enhance the fluorescence of dye molecules in the immediate vicinity (5-20 nm) of the particle. This magnifying effect can be theoretically explained/predicted by considering the change of photonic mode density near the fluorophore due to coupling to the conducting surface. We are using this method to observe fluorescence from a single ribosomal particle in a project aimed at acquiring sequence information from the translating ribosome (NIH's $1000 Genome Initiative). Several quartz slides with silver nanostructures were made using electron beam lithography techniques. The structures were approximately 50 nm high silver tiles measuring 400-700 nm on the side, and were spaced differently over a total area of 1 mm x 1 mm on any given quartz slide. In a preliminary experiment, we coated this surface with the Alexa 647-labeled antibodies and collected single molecule images using the MicroTime 200 (PicoQuant) confocal system. We showed that the fluorescence intensity measured over the silver islands film was more than 100-fold higher than fluorescence from a comparable site on uncoated section of the quartz slide. No noticeable photobleaching was seen. The fluorescence lifetime was very short, about 200 ps or less (this is the resolution limit of the system). The method has great promise for investigations of biologically relevant single molecules.
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Probing the extensive nature of entropy
NASA Astrophysics Data System (ADS)
Salagaram, T.; Chetty, N.
2013-08-01
We have devised a general numerical scheme applied to a system of independent, distinguishable, non-interacting particles, to demonstrate in a direct manner the extensive nature of statistical entropy. Working within the microcanonical ensemble, our methods enable one to directly monitor the approach to the thermodynamic limit (N → ∞) in a manner that has not been known before. We show that (sN - s∞) → N-α where sN is the entropy per particle for N particles and S∞ is the entropy per particle in the thermodynamic limit. We demonstrate universal behaviour by considering a number of different systems each defined by its unique single-particle spectrum. Various thermodynamic quantities as a function of N may be computed using our methods; in this paper, we focus on the entropy, the chemical potential and the temperature. Our results are applicable to systems of finite size, e.g. nano-particle systems. Furthermore, we demonstrate a new phenomenon, referred to as entropic interference, which manifests as a cancellation of terms in the thermodynamic limit and which results in the additive nature of entropy.
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Fast detection of air contaminants using immunobiological methods
NASA Astrophysics Data System (ADS)
Schmitt, Katrin; Bolwien, Carsten; Sulz, Gerd; Koch, Wolfgang; Dunkhorst, Wilhelm; Lödding, Hubert; Schwarz, Katharina; Holländer, Andreas; Klockenbring, Torsten; Barth, Stefan; Seidel, Björn; Hofbauer, Wolfgang; Rennebarth, Torsten; Renzl, Anna
2009-05-01
The fast and direct identification of possibly pathogenic microorganisms in air is gaining increasing interest due to their threat for public health, e.g. in clinical environments or in clean rooms of food or pharmaceutical industries. We present a new detection method allowing the direct recognition of relevant germs or bacteria via fluorescence-labeled antibodies within less than one hour. In detail, an air-sampling unit passes particles in the relevant size range to a substrate which contains antibodies with fluorescence labels for the detection of a specific microorganism. After the removal of the excess antibodies the optical detection unit comprising reflected-light and epifluorescence microscopy can identify the microorganisms by fast image processing on a single-particle level. First measurements with the system to identify various test particles as well as interfering influences have been performed, in particular with respect to autofluorescence of dust particles. Specific antibodies for the detection of Aspergillus fumigatus spores have been established. The biological test system consists of protein A-coated polymer particles which are detected by a fluorescence-labeled IgG. Furthermore the influence of interfering particles such as dust or debris is discussed.
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Modelling the normal bouncing dynamics of spheres in a viscous fluid
NASA Astrophysics Data System (ADS)
Izard, Edouard; Lacaze, Laurent; Bonometti, Thomas
2017-06-01
Bouncing motions of spheres in a viscous fluid are numerically investigated by an immersed boundary method to resolve the fluid flow around solids which is combined to a discrete element method for the particles motion and contact resolution. Two well-known configurations of bouncing are considered: the normal bouncing of a sphere on a wall in a viscous fluid and a normal particle-particle bouncing in a fluid. Previous experiments have shown the effective restitution coefficient to be a function of a single parameter, namely the Stokes number which compares the inertia of the solid particle with the fluid viscous dissipation. The present simulations show a good agreement with experimental observations for the whole range of investigated parameters. However, a new definition of the coefficient of restitution presented here shows a dependence on the Stokes number as in previous works but, in addition, on the fluid to particle density ratio. It allows to identify the viscous, inertial and dry regimes as found in experiments of immersed granular avalanches of Courrech du Pont et al. Phys. Rev. Lett. 90, 044301 (2003), e.g. in a multi-particle configuration.
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El Hadri, Hind; Petersen, Elijah J.; Winchester, Michael R.
2016-01-01
The effect of ICP-MS instrument sensitivity drift on the accuracy of NP size measurements using single particle (sp)ICP-MS is investigated. Theoretical modeling and experimental measurements of the impact of instrument sensitivity drift are in agreement and indicate that drift can impact the measured size of spherical NPs by up to 25 %. Given this substantial bias in the measured size, a method was developed using an internal standard to correct for the impact of drift and was shown to accurately correct for a decrease in instrument sensitivity of up to 50 % for 30 nm and 60 nm gold nanoparticles. PMID:26894759
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Controlling charge on levitating drops.
Hilger, Ryan T; Westphall, Michael S; Smith, Lloyd M
2007-08-01
Levitation technologies are used in containerless processing of materials, as microscale manipulators and reactors, and in the study of single drops and particles. Presented here is a method for controlling the amount and polarity of charge on a levitating drop. The method uses single-axis acoustic levitation to trap and levitate a single, initially neutral drop with a diameter between 400 microm and 2 mm. This drop is then charged in a controllable manner using discrete packets of charge in the form of charged drops produced by a piezoelectric drop-on-demand dispenser equipped with a charging electrode. The magnitude of the charge on the dispensed drops can be adjusted by varying the voltage applied to the charging electrode. The polarity of the charge on the added drops can be changed allowing removal of charge from the trapped drop (by neutralization) and polarity reversal. The maximum amount of added charge is limited by repulsion of like charges between the drops in the trap. This charging scheme can aid in micromanipulation and the study of charged drops and particles using levitation.
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State-of-the-art Nanofabrication in Catalysis.
Karim, Waiz; Tschupp, Simon A; Herranz, Juan; Schmidt, Thomas J; Ekinci, Yasin; van Bokhovenac, Jeroen A
2017-04-26
We present recent developments in top-down nanofabrication that have found application in catalysis research. To unravel the complexity of catalytic systems, the design and use of models with control of size, morphology, shape and inter-particle distances is a necessity. The study of well-defined and ordered nanoparticles on a support contributes to the understanding of complex phenomena that govern reactions in heterogeneous and electro-catalysis. We review the strengths and limitations of different nanolithography methods such as electron beam lithography (EBL), photolithography, extreme ultraviolet (EUV) lithography and colloidal lithography for the creation of such highly tunable catalytic model systems and their applications in catalysis. Innovative strategies have enabled particle sizes reaching dimensions below 10 nm. It is now possible to create pairs of particles with distance controlled with an extremely high precision in the order of one nanometer. We discuss our approach to study these model systems at the single-particle level using X-ray absorption spectroscopy and show new ways to fabricate arrays of single nanoparticles or nanoparticles in pairs over a large area using EBL and EUV-achromatic Talbot lithography. These advancements have provided new insights into the active sites in metal catalysts and enhanced the understanding of the role of inter-particle interactions and catalyst supports, such as in the phenomenon of hydrogen spillover. We present a perspective on future directions for employing top-down nanofabrication in heterogeneous and electrocatalysis. The rapid development in nanofabrication and characterization methods will continue to have an impact on understanding of complex catalytic processes.
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Ribeiro, Rita S. R.; Cunha, João P. S.; Rosa, Carla C.; Jorge, Pedro A. S.
2018-01-01
Recent trends on microbiology point out the urge to develop optical micro-tools with multifunctionalities such as simultaneous manipulation and sensing. Considering that miniaturization has been recognized as one of the most important paradigms of emerging sensing biotechnologies, optical fiber tools, including Optical Fiber Tweezers (OFTs), are suitable candidates for developing multifunctional small sensors for Medicine and Biology. OFTs are flexible and versatile optotools based on fibers with one extremity patterned to form a micro-lens. These are able to focus laser beams and exert forces onto microparticles strong enough (piconewtons) to trap and manipulate them. In this paper, through an exploratory analysis of a 45 features set, including time and frequency-domain parameters of the back-scattered signal of particles trapped by a polymeric lens, we created a novel single feature able to differentiate synthetic particles (PMMA and Polystyrene) from living yeasts cells. This single statistical feature can be useful for the development of label-free hybrid optical fiber sensors with applications in infectious diseases detection or cells sorting. It can also contribute, by revealing the most significant information that can be extracted from the scattered signal, to the development of a simpler method for particles characterization (in terms of composition, heterogeneity degree) than existent technologies. PMID:29495502
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Paiva, Joana S; Ribeiro, Rita S R; Cunha, João P S; Rosa, Carla C; Jorge, Pedro A S
2018-02-27
Recent trends on microbiology point out the urge to develop optical micro-tools with multifunctionalities such as simultaneous manipulation and sensing. Considering that miniaturization has been recognized as one of the most important paradigms of emerging sensing biotechnologies, optical fiber tools, including Optical Fiber Tweezers (OFTs), are suitable candidates for developing multifunctional small sensors for Medicine and Biology. OFTs are flexible and versatile optotools based on fibers with one extremity patterned to form a micro-lens. These are able to focus laser beams and exert forces onto microparticles strong enough (piconewtons) to trap and manipulate them. In this paper, through an exploratory analysis of a 45 features set, including time and frequency-domain parameters of the back-scattered signal of particles trapped by a polymeric lens, we created a novel single feature able to differentiate synthetic particles (PMMA and Polystyrene) from living yeasts cells. This single statistical feature can be useful for the development of label-free hybrid optical fiber sensors with applications in infectious diseases detection or cells sorting. It can also contribute, by revealing the most significant information that can be extracted from the scattered signal, to the development of a simpler method for particles characterization (in terms of composition, heterogeneity degree) than existent technologies.
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Saha equation, single and two particle states
NASA Technical Reports Server (NTRS)
Kraeft, W. D.; Girardeau, M. D.; Strege, B.
1990-01-01
Single- and two-particle properties in a dense plasma are discussed in connection with their role in the mass action law for a partially ionized plasma. The two-particle-bound states are nearly density independent, while the continuum is essentially shifted. The single-particle states are damped, and their energy has a negative shift and a parabolic behavior for small momenta.
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Surface transport and stable trapping of particles and cells by an optical waveguide loop.
Hellesø, Olav Gaute; Løvhaugen, Pål; Subramanian, Ananth Z; Wilkinson, James S; Ahluwalia, Balpreet Singh
2012-09-21
Waveguide trapping has emerged as a useful technique for parallel and planar transport of particles and biological cells and can be integrated with lab-on-a-chip applications. However, particles trapped on waveguides are continuously propelled forward along the surface of the waveguide. This limits the practical usability of the waveguide trapping technique with other functions (e.g. analysis, imaging) that require particles to be stationary during diagnosis. In this paper, an optical waveguide loop with an intentional gap at the centre is proposed to hold propelled particles and cells. The waveguide acts as a conveyor belt to transport and deliver the particles/cells towards the gap. At the gap, the diverging light fields hold the particles at a fixed position. The proposed waveguide design is numerically studied and experimentally implemented. The optical forces on the particle at the gap are calculated using the finite element method. Experimentally, the method is used to transport and trap micro-particles and red blood cells at the gap with varying separations. The waveguides are only 180 nm thick and thus could be integrated with other functions on the chip, e.g. microfluidics or optical detection, to make an on-chip system for single cell analysis and to study the interaction between cells.
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Diagnostics of thermal spraying plasma jets
NASA Astrophysics Data System (ADS)
Fauchais, P.; Coudert, J. F.; Vardelle, M.; Vardelle, A.; Denoirjean, A.
1992-06-01
The development of diagnostic techniques for dc plasma spraying is reviewed with attention given to the need for thick highly reproducible coatings of good quality for aeronautic and other uses. Among the techniques examined are fast cameras, laser-Doppler anemometry (LDA), coherent anti-Stokes Raman spectroscopy (CARS), enthalpy probes, and emission spectroscopy. Particular emphasis is given to the effect of arc fluctuations on the spectroscopic measurements, and a method is introduced for obtaining temperature and species density of vapor clouds traveling with each particle in flight. Coating properties can be deduced from data on single particles, and statistical approaches are often unreliable without added data on surface temperature and particle velocity. Also presented is a method for deriving the temperature evolution of a cooled splat and successive layers and passes. These methods are of interest to the control of adhesion and cohesion in coatings for critical aerospace applications.
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Review of progress in magnetic particle inspection
NASA Astrophysics Data System (ADS)
Eisenmann, David J.; Enyart, Darrel; Lo, Chester; Brasche, Lisa
2014-02-01
Magnetic particle inspection (MPI) has been widely utilized for decades, and sees considerable use in the aerospace industry with a majority of the steel parts being inspected with MPI at some point in the lifecycle. Typical aircraft locations inspected are landing gear, engine components, attachment hardware, and doors. In spite of its numerous applications the method remains poorly understood, and there are many aspects of that method which would benefit from in-depth study. This shortcoming is due to the fact that MPI combines the complicated nature of electromagnetics, metallurgical material effects, fluid-particle motion dynamics, and physiological human factors into a single inspection. To promote understanding of the intricate method issues that affect sensitivity, or to assist with the revision of industry specifications and standards, research studies will be prioritized through the guidance of a panel of industry experts, using an approach which has worked successfully in the past to guide fluorescent penetrant inspection (FPI) research efforts.
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NASA Astrophysics Data System (ADS)
Osán, J.; Kurunczi, S.; Török, S.; Van Grieken, R.
2002-03-01
A serious heavy metal pollution of the Tisza River occurred on March 10, 2000, arising from a mine-dumping site in Romania. Sediment samples were taken from the main riverbed at six sites in Hungary, on March 16, 2000. The objective of this work was to distinguish the anthropogenic and crustal erosion particles in the river sediment. The samples were investigated using both bulk X-ray fluorescence (XRF) and thin-window electron probe microanalysis (EPMA). For EPMA, a reverse Monte Carlo method calculated the quantitative elemental composition of each single sediment particle. A high abundance of pyrite type particles was observed in some of the samples, indicating the influence of the mine dumps. Backscattered electron images proved that the size of particles with a high atomic number matrix was in the range of 2 μm. In other words the pyrites and the heavy elements form either small particles or are fragments of larger agglomerates. The latter are formed during the flotation process of the mines or get trapped to the natural crustal erosion particles. The XRF analysis of pyrite-rich samples always showed much higher Cu, Zn and Pb concentrations than the rest of the samples, supporting the conclusions of the single-particle EPMA results. In the polluted samples, the concentration of Cu, Zn and Pb reached 0.1, 0.3 and 0.2 wt.%, respectively. As a new approach, the abundance of particle classes obtained from single-particle EPMA and the elemental concentration obtained by XRF were merged into one data set. The dimension of the common data set was reduced by principal component analysis. The first component was determined by the abundance of pyrite and zinc sulfide particles and the concentration of Cu, Zn and Pb. The polluted samples formed a distinct group in the principal component space. The same result was supported by powder diffraction data. These analytical data combined with Earth Observation Techniques can be further used to estimate the quantity of particles originating from mine tailings on a defined river section.
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Stabilizing canonical-ensemble calculations in the auxiliary-field Monte Carlo method
NASA Astrophysics Data System (ADS)
Gilbreth, C. N.; Alhassid, Y.
2015-03-01
Quantum Monte Carlo methods are powerful techniques for studying strongly interacting Fermi systems. However, implementing these methods on computers with finite-precision arithmetic requires careful attention to numerical stability. In the auxiliary-field Monte Carlo (AFMC) method, low-temperature or large-model-space calculations require numerically stabilized matrix multiplication. When adapting methods used in the grand-canonical ensemble to the canonical ensemble of fixed particle number, the numerical stabilization increases the number of required floating-point operations for computing observables by a factor of the size of the single-particle model space, and thus can greatly limit the systems that can be studied. We describe an improved method for stabilizing canonical-ensemble calculations in AFMC that exhibits better scaling, and present numerical tests that demonstrate the accuracy and improved performance of the method.
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Raman Spectroscopy of Optically Trapped Single Biological Micro-Particles
Redding, Brandon; Schwab, Mark J.; Pan, Yong-le
2015-01-01
The combination of optical trapping with Raman spectroscopy provides a powerful method for the study, characterization, and identification of biological micro-particles. In essence, optical trapping helps to overcome the limitation imposed by the relative inefficiency of the Raman scattering process. This allows Raman spectroscopy to be applied to individual biological particles in air and in liquid, providing the potential for particle identification with high specificity, longitudinal studies of changes in particle composition, and characterization of the heterogeneity of individual particles in a population. In this review, we introduce the techniques used to integrate Raman spectroscopy with optical trapping in order to study individual biological particles in liquid and air. We then provide an overview of some of the most promising applications of this technique, highlighting the unique types of measurements enabled by the combination of Raman spectroscopy with optical trapping. Finally, we present a brief discussion of future research directions in the field. PMID:26247952
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Fuzzy logic particle tracking velocimetry
NASA Technical Reports Server (NTRS)
Wernet, Mark P.
1993-01-01
Fuzzy logic has proven to be a simple and robust method for process control. Instead of requiring a complex model of the system, a user defined rule base is used to control the process. In this paper the principles of fuzzy logic control are applied to Particle Tracking Velocimetry (PTV). Two frames of digitally recorded, single exposure particle imagery are used as input. The fuzzy processor uses the local particle displacement information to determine the correct particle tracks. Fuzzy PTV is an improvement over traditional PTV techniques which typically require a sequence (greater than 2) of image frames for accurately tracking particles. The fuzzy processor executes in software on a PC without the use of specialized array or fuzzy logic processors. A pair of sample input images with roughly 300 particle images each, results in more than 200 velocity vectors in under 8 seconds of processing time.
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NASA Technical Reports Server (NTRS)
McDowell, Mark
2004-01-01
An integrated algorithm for decomposing overlapping particle images (multi-particle objects) along with determining each object s constituent particle centroid(s) has been developed using image analysis techniques. The centroid finding algorithm uses a modified eight-direction search method for finding the perimeter of any enclosed object. The centroid is calculated using the intensity-weighted center of mass of the object. The overlap decomposition algorithm further analyzes the object data and breaks it down into its constituent particle centroid(s). This is accomplished with an artificial neural network, feature based technique and provides an efficient way of decomposing overlapping particles. Combining the centroid finding and overlap decomposition routines into a single algorithm allows us to accurately predict the error associated with finding the centroid(s) of particles in our experiments. This algorithm has been tested using real, simulated, and synthetic data and the results are presented and discussed.
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General route for the assembly of functional inorganic capsules.
Akartuna, Ilke; Tervoort, Elena; Studart, André R; Gauckler, Ludwig J
2009-11-03
Semipermeable, hollow capsules are attractive materials for the encapsulation and delivery of active agents in food processing, pharmaceutical and agricultural industries, and biomedicine. These capsules can be produced by forming a solid shell of close packed colloidal particles, typically polymeric particles, at the surface of emulsion droplets. However, current methods to prepare such capsules may involve multistep chemical procedures to tailor the surface chemistry of particles or are limited to particles that exhibit inherently the right hydrophobic-hydrophilic balance to adsorb around emulsion droplets. In this work, we describe a general and simple method to fabricate semipermeable, inorganic capsules from emulsion droplets stabilized by a wide variety of colloidal metal oxide particles. The assembly of particles at the oil-water interface is induced by the in situ hydrophobization of the particle surface through the adsorption of short amphiphilic molecules. The adsorption of particles at the interface leads to stable capsules comprising a single layer of particles in the outer shell. Such capsules can be used in the wet state or can be further processed into dry capsules. The permeability of the capsules can be modified by filling the interstices between the shell particles with polymeric or inorganic species. Functional capsules with biocompatible, bioresorbable, heat-resistant, chemical-resistant, and magnetic properties were prepared using alumina, silica, iron oxide, or tricalcium phosphate as particles in the shell.
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Diffraction and Smith-Purcell radiation on the hemispherical bulges in a metal plate
NASA Astrophysics Data System (ADS)
Syshchenko, V. V.; Larikova, E. A.; Gladkih, Yu. P.
2017-12-01
The radiation resulting from the uniform motion of a charged particle near a hemispheric bulge on a metal plane is considered. The description of the radiation process based on the method of images is developed for the case of non-relativistic particle and a perfectly conducting target. The spectral-angular and spectral densities of the diffraction radiation on the single bulge (as well as the Smith-Purcell radiation on the periodic string of bulges) are computed. The possibility of application of the developed approach to the case of relativistic incident particle is discussed.
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Lineage mapper: A versatile cell and particle tracker
NASA Astrophysics Data System (ADS)
Chalfoun, Joe; Majurski, Michael; Dima, Alden; Halter, Michael; Bhadriraju, Kiran; Brady, Mary
2016-11-01
The ability to accurately track cells and particles from images is critical to many biomedical problems. To address this, we developed Lineage Mapper, an open-source tracker for time-lapse images of biological cells, colonies, and particles. Lineage Mapper tracks objects independently of the segmentation method, detects mitosis in confluence, separates cell clumps mistakenly segmented as a single cell, provides accuracy and scalability even on terabyte-sized datasets, and creates division and/or fusion lineages. Lineage Mapper has been tested and validated on multiple biological and simulated problems. The software is available in ImageJ and Matlab at isg.nist.gov.
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Method of self-consistent evaluation of absolute emission probabilities of particles and gamma rays
NASA Astrophysics Data System (ADS)
Badikov, Sergei; Chechev, Valery
2017-09-01
In assumption of well installed decay scheme the method provides a) exact balance relationships, b) lower (compared to the traditional techniques) uncertainties of recommended absolute emission probabilities of particles and gamma rays, c) evaluation of correlations between the recommended emission probabilities (for the same and different decay modes). Application of the method for the decay data evaluation for even curium isotopes led to paradoxical results. The multidimensional confidence regions for the probabilities of the most intensive alpha transitions constructed on the basis of present and the ENDF/B-VII.1, JEFF-3.1, DDEP evaluations are inconsistent whereas the confidence intervals for the evaluated probabilities of single transitions agree with each other.
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Interaction of a supersonic particle with a three-dimensional complex plasma
NASA Astrophysics Data System (ADS)
Zaehringer, E.; Schwabe, M.; Zhdanov, S.; Mohr, D. P.; Knapek, C. A.; Huber, P.; Semenov, I. L.; Thomas, H. M.
2018-03-01
The influence of a supersonic projectile on a three-dimensional complex plasma is studied. Micron sized particles in a low-temperature plasma formed a large undisturbed system in the new "Zyflex" chamber during microgravity conditions. A supersonic probe particle excited a Mach cone with Mach number M ≈ 1.5-2 and double Mach cone structure in the large weakly damped particle cloud. The speed of sound is measured with different methods and particle charge estimations are compared to the calculations from standard theories. The high image resolution enables the study of Mach cones in microgravity on the single particle level of a three-dimensional complex plasma and gives insight to the dynamics. A heating of the microparticles is discovered behind the supersonic projectile but not in the flanks of the Mach cone.
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Monte Carlo simulation of light reflection from cosmetic powders on the skin
NASA Astrophysics Data System (ADS)
Okamoto, Takashi; Motoda, Masafumi; Igarashi, Takanori; Nakao, Keisuke
2011-07-01
The reflection and scattering properties of light incident on skin covered with powder particles have been investigated. A three-layer skin structure with a spot is modeled, and the propagation of light in the skin and the scattering of light by particles on the skin surface are simulated by means of a Monte Carlo method. Under the condition in which only single scattering of light occurs in the powder layer, the reflection spectra of light from the skin change dramatically with the size of powder particles. The color difference between normal skin and spots is found to diminish more when powder particles smaller than the wavelength of light are used. It is shown that particle polydispersity suppresses substantially the extreme spectral change caused by monodisperse particles with a size comparable to the light wavelength.
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A new method for measuring lung deposition efficiency of airborne nanoparticles in a single breath
NASA Astrophysics Data System (ADS)
Jakobsson, Jonas K. F.; Hedlund, Johan; Kumlin, John; Wollmer, Per; Löndahl, Jakob
2016-11-01
Assessment of respiratory tract deposition of nanoparticles is a key link to understanding their health impacts. An instrument was developed to measure respiratory tract deposition of nanoparticles in a single breath. Monodisperse nanoparticles are generated, inhaled and sampled from a determined volumetric lung depth after a controlled residence time in the lung. The instrument was characterized for sensitivity to inter-subject variability, particle size (22, 50, 75 and 100 nm) and breath-holding time (3-20 s) in a group of seven healthy subjects. The measured particle recovery had an inter-subject variability 26-50 times larger than the measurement uncertainty and the results for various particle sizes and breath-holding times were in accordance with the theory for Brownian diffusion and values calculated from the Multiple-Path Particle Dosimetry model. The recovery was found to be determined by residence time and particle size, while respiratory flow-rate had minor importance in the studied range 1-10 L/s. The instrument will be used to investigate deposition of nanoparticles in patients with respiratory disease. The fast and precise measurement allows for both diagnostic applications, where the disease may be identified based on particle recovery, and for studies with controlled delivery of aerosol-based nanomedicine to specific regions of the lungs.
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NASA Astrophysics Data System (ADS)
Brans, Toon; Strubbe, Filip; Schreuer, Caspar; Neyts, Kristiaan; Beunis, Filip
2015-06-01
We present a novel approach for label-free concentration measurement of a specific protein in a solution. The technique combines optical tweezers and microelectrophoresis to establish the electrophoretic mobility of a single microparticle suspended in the solution. From this mobility measurement, the amount of adsorbed protein on the particle is derived. Using this method, we determine the concentration of avidin in a buffer solution. After calibration of the setup, which accounts for electro-osmotic flow in the measurement device, the mobilities of both bare and biotinylated microspheres are measured as a function of the avidin concentration in the mixture. Two types of surface adsorption are identified: the biotinylated particles show specific adsorption, resulting from the binding of avidin molecules with biotin, at low avidin concentrations (below 0.04 μg/ml) while at concentrations of several μg/ml non-specific on both types of particles is observed. These two adsorption mechanisms are incorporated in a theoretical model describing the relation between the measured mobility and the avidin concentration in the mixture. This model describes the electrophoretic mobility of these particles accurately over four orders of magnitude of the avidin concentration.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Nogrette, F.; Chang, R.; Bouton, Q.
We report on the development of a novel FPGA-based time-to-digital converter and its implementation in a detection chain that records the coordinates of single particles along three dimensions. The detector is composed of micro-channel plates mounted on top of a cross delay line and connected to fast electronics. We demonstrate continuous recording of the timing signals from the cross delay line at rates up to 4.1 × 10{sup 6} s{sup −1} and three-dimensional reconstruction of the coordinates up to 3.2 × 10{sup 6} particles per second. From the imaging of a calibrated structure we measure the in-plane resolution of themore » detector to be 140(20) μm at a flux of 3 × 10{sup 5} particles per second. In addition, we analyze a method to estimate the resolution without placing any structure under vacuum, a significant practical improvement. While we use UV photons here, the results of this work apply to the detection of other kinds of particles.« less
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Ex Post Facto Monte Carlo Variance Reduction
DOE Office of Scientific and Technical Information (OSTI.GOV)
Booth, Thomas E.
The variance in Monte Carlo particle transport calculations is often dominated by a few particles whose importance increases manyfold on a single transport step. This paper describes a novel variance reduction method that uses a large importance change as a trigger to resample the offending transport step. That is, the method is employed only after (ex post facto) a random walk attempts a transport step that would otherwise introduce a large variance in the calculation.Improvements in two Monte Carlo transport calculations are demonstrated empirically using an ex post facto method. First, the method is shown to reduce the variance inmore » a penetration problem with a cross-section window. Second, the method empirically appears to modify a point detector estimator from an infinite variance estimator to a finite variance estimator.« less
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Fast Characterization of Magnetic Impurities in Single-Wall Carbon Nanotubes
NASA Technical Reports Server (NTRS)
Chen, Feng; Xue, Y. Y.; Hadijiev, Viktor G.; Chu, C. W.; Nikolaev, Pasha; Arepalli, Sivaram
2003-01-01
We have demonstrated that the magnetic susceptibility measurement is a non-destructive, fast and accurate method to determine the residual metal catalysts in a few microgram single-wall carbon nanotube (SWCNT) sample. We have studied magnetic impurities in raw and purified SWCNT by magnetic susceptibility measurements, transmission electron microscopy, and thermogravimetry. The data suggest that the saturation magnetic moment and the effective field, which is caused by the interparticle interactions, decreases and increases respectively with the decrease of the particle size. Methods are suggested to overcome the uncertainty associated.
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Machine Learning Technique to Find Quantum Many-Body Ground States of Bosons on a Lattice
NASA Astrophysics Data System (ADS)
Saito, Hiroki; Kato, Masaya
2018-01-01
We have developed a variational method to obtain many-body ground states of the Bose-Hubbard model using feedforward artificial neural networks. A fully connected network with a single hidden layer works better than a fully connected network with multiple hidden layers, and a multilayer convolutional network is more efficient than a fully connected network. AdaGrad and Adam are optimization methods that work well. Moreover, we show that many-body ground states with different numbers of particles can be generated by a single network.
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NASA Astrophysics Data System (ADS)
Iwata, Ayumi; Matsuki, Atsushi
2018-02-01
In order to better characterize ice nucleating (IN) aerosol particles in the atmosphere, we investigated the chemical composition, mixing state, and morphology of atmospheric aerosols that nucleate ice under conditions relevant for mixed-phase clouds. Five standard mineral dust samples (quartz, K-feldspar, Na-feldspar, Arizona test dust, and Asian dust source particles) were compared with actual aerosol particles collected from the west coast of Japan (the city of Kanazawa) during Asian dust events in February and April 2016. Following droplet activation by particles deposited on a hydrophobic Si (silicon) wafer substrate under supersaturated air, individual IN particles were located using an optical microscope by gradually cooling the temperature to -30 °C. For the aerosol samples, both the IN active particles and non-active particles were analyzed individually by atomic force microscopy (AFM), micro-Raman spectroscopy, and scanning electron microscopy (SEM) coupled with energy dispersive X-ray spectroscopy (EDX). Heterogeneous ice nucleation in all standard mineral dust samples tested in this study was observed at consistently higher temperatures (e.g., -22.2 to -24.2 °C with K-feldspar) than the homogeneous freezing temperature (-36.5 °C). Meanwhile, most of the IN active atmospheric particles formed ice below -28 °C, i.e., at lower temperatures than the standard mineral dust samples of pure components. The most abundant IN active particles above -30 °C were predominantly irregular solid particles that showed clay mineral characteristics (or mixtures of several mineral components). Other than clay, Ca-rich particles internally mixed with other components, such as sulfate, were also regarded as IN active particle types. Moreover, sea salt particles were predominantly found in the non-active fraction, and internal mixing with sea salt clearly acted as a significant inhibiting agent for the ice nucleation activity of mineral dust particles. Also, relatively pure or fresh calcite, Ca(NO3)2, and (NH4)2SO4 particles were more often found in the non-active fraction. In this study, we demonstrated the capability of the combined single droplet freezing method and thorough individual particle analysis to characterize the ice nucleation activity of atmospheric aerosols. We also found that dramatic changes in the particle mixing states during long-range transport had a complex effect on the ice nucleation activity of the host aerosol particles. A case study in the Asian dust outflow region highlighted the need to consider particle mixing states, which can dramatically influence ice nucleation activity.
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Variational symplectic algorithm for guiding center dynamics in the inner magnetosphere
DOE Office of Scientific and Technical Information (OSTI.GOV)
Li Jinxing; Pu Zuyin; Xie Lun
Charged particle dynamics in magnetosphere has temporal and spatial multiscale; therefore, numerical accuracy over a long integration time is required. A variational symplectic integrator (VSI) [H. Qin and X. Guan, Phys. Rev. Lett. 100, 035006 (2008) and H. Qin, X. Guan, and W. M. Tang, Phys. Plasmas 16, 042510 (2009)] for the guiding-center motion of charged particles in general magnetic field is applied to study the dynamics of charged particles in magnetosphere. Instead of discretizing the differential equations of the guiding-center motion, the action of the guiding-center motion is discretized and minimized to obtain the iteration rules for advancing themore » dynamics. The VSI conserves exactly a discrete Lagrangian symplectic structure and has better numerical properties over a long integration time, compared with standard integrators, such as the standard and adaptive fourth order Runge-Kutta (RK4) methods. Applying the VSI method to guiding-center dynamics in the inner magnetosphere, we can accurately calculate the particles'orbits for an arbitrary long simulating time with good conservation property. When a time-independent convection and corotation electric field is considered, the VSI method can give the accurate single particle orbit, while the RK4 method gives an incorrect orbit due to its intrinsic error accumulation over a long integrating time.« less
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Eichorst, Stephanie A.; Strasser, Florian; Woyke, Tanja; ...
2015-08-31
The combined approach of incubating environmental samples with stable isotope-labeled substrates followed by single-cell analyses through high-resolution secondary ion mass spectrometry (NanoSIMS) or Raman microspectroscopy provides insights into the in situ function of microorganisms. This approach has found limited application in soils presumably due to the dispersal of microbial cells in a large background of particles. We developed a pipeline for the efficient preparation of cell extracts from soils for subsequent single-cell methods by combining cell detachment with separation of cells and soil particles followed by cell concentration. The procedure was evaluated by examining its influence on cell recoveries andmore » microbial community composition across two soils. This approach generated a cell fraction with considerably reduced soil particle load and of sufficient small size to allow single-cell analysis by NanoSIMS, as shown when detecting active N2-fixing and cellulose-responsive microorganisms via 15N2 and 13C-UL-cellulose incubations, respectively. The same procedure was also applicable for Raman microspectroscopic analyses of soil microorganisms, assessed via microcosm incubations with a 13C-labeled carbon source and deuterium oxide (D2O, a general activity marker). Lastly, the described sample preparation procedure enables single-cell analysis of soil microorganisms using NanoSIMS and Raman microspectroscopy, but should also facilitate single-cell sorting and sequencing.« less
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Direct writing of metal nanostructures: lithographic tools for nanoplasmonics research.
Leggett, Graham J
2011-03-22
Continued progress in the fast-growing field of nanoplasmonics will require the development of new methods for the fabrication of metal nanostructures. Optical lithography provides a continually expanding tool box. Two-photon processes, as demonstrated by Shukla et al. (doi: 10.1021/nn103015g), enable the fabrication of gold nanostructures encapsulated in dielectric material in a simple, direct process and offer the prospect of three-dimensional fabrication. At higher resolution, scanning probe techniques enable nanoparticle particle placement by localized oxidation, and near-field sintering of nanoparticulate films enables direct writing of nanowires. Direct laser "printing" of single gold nanoparticles offers a remarkable capability for the controlled fabrication of model structures for fundamental studies, particle-by-particle. Optical methods continue to provide a powerful support for research into metamaterials.
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NASA Astrophysics Data System (ADS)
Spencer, Matthew Todd
Aerosols affect the lives of people every day. They can decrease visibility, alter cloud formation and cloud lifetimes, change the energy balance of the earth and are implicated in causing numerous health problems. Measuring the physical and chemical properties of aerosols is essential to understand and mitigate any negative impacts that aerosols might have on climate and human health. Aerosol time-of-flight mass spectrometry (ATOFMS) is a technique that measures the size and chemical composition of individual particles in real time. The goal of this dissertation is to develop new and useful approaches for measuring the physical and/or chemical properties of particles using ATOFMS. This has been accomplished using laboratory experiments, ambient field measurements and sometimes comparisons between them. A comparison of mass spectra generated from petrochemical particles was made to light duty vehicle (LDV) and heavy duty diesel vehicle (HDDV) particle mass spectra. This comparison has given us new insight into how to differentiate between particles from these two sources. A method for coating elemental carbon (EC) particles with organic carbon (OC) was used to generate a calibration curve for quantifying the fraction of organic carbon and elemental carbon on particles using ATOFMS. This work demonstrates that it is possible to obtain quantitative chemical information with regards to EC and OC using ATOFMS. The relationship between electrical mobility diameter and aerodynamic diameter is used to develop a tandem differential mobility analyzer-ATOFMS technique to measure the effective density, size and chemical composition of particles. The method is applied in the field and gives new insight into the physical/chemical properties of particles. The size resolved chemical composition of aerosols was measured in the Indian Ocean during the monsoonal transition period. This field work shows that a significant fraction of aerosol transported from India was from biomass burning and appeared to be internally mixed with sulfate which suggests it was cloud processed during transport. Lastly, noble metal nanoparticles are explored as potential matrices for visible wavelength single particle matrix assisted laser desorption/ionization mass spectrometry (VIS-MALDI). This work demonstrates that noble metal nanoparticle matrices can be used for VIS-MALDI analysis.
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NASA Astrophysics Data System (ADS)
Afanasjev, A. V.; Abusara, H.
2018-02-01
The nodal structure of the density distributions of the single-particle states occupied in rod-shaped, hyper- and megadeformed structures of nonrotating and rotating N ˜Z nuclei has been investigated in detail. The single-particle states with the Nilsson quantum numbers of the [N N 0 ]1 /2 (with N from 0 to 5) and [N ,N -1 ,1 ]Ω (with N from 1 to 3 and Ω =1 /2 , 3/2) types are considered. These states are building blocks of extremely deformed shapes in the nuclei with mass numbers A ≤50 . Because of (near) axial symmetry and large elongation of such structures, the wave functions of the single-particle states occupied are dominated by a single basis state in cylindrical basis. This basis state defines the nodal structure of the single-particle density distribution. The nodal structure of the single-particle density distributions allows us to understand in a relatively simple way the necessary conditions for α clusterization and the suppression of the α clusterization with the increase of mass number. It also explains in a natural way the coexistence of ellipsoidal mean-field-type structures and nuclear molecules at similar excitation energies and the features of particle-hole excitations connecting these two types of the structures. Our analysis of the nodal structure of the single-particle density distributions does not support the existence of quantum liquid phase for the deformations and nuclei under study.
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Genotyping by alkaline dehybridization using graphically encoded particles.
Zhang, Huaibin; DeConinck, Adam J; Slimmer, Scott C; Doyle, Patrick S; Lewis, Jennifer A; Nuzzo, Ralph G
2011-03-01
This work describes a nonenzymatic, isothermal genotyping method based on the kinetic differences exhibited in the dehybridization of perfectly matched (PM) and single-base mismatched (MM) DNA duplexes in an alkaline solution. Multifunctional encoded hydrogel particles incorporating allele-specific oligonucleotide (ASO) probes in two distinct regions were fabricated by using microfluidic-based stop-flow lithography. Each particle contained two distinct ASO probe sequences differing at a single base position, and thus each particle was capable of simultaneously probing two distinct target alleles. Fluorescently labeled target alleles were annealed to both probe regions of a particle, and the rate of duplex dehybridization was monitored by using fluorescence microscopy. Duplex dehybridization was achieved through an alkaline stimulus using either a pH step function or a temporal pH gradient. When a single target probe sequence was used, the rate of mismatch duplex dehybridization could be discriminated from the rate of perfect match duplex dehybridization. In a more demanding application in which two distinct probe sequences were used, we found that the rate profiles provided a means to discriminate probe dehybridizations from both of the two mismatched duplexes as well as to distinguish at high certainty the dehybridization of the two perfectly matched duplexes. These results demonstrate an ability of alkaline dehybridization to correctly discriminate the rank hierarchy of thermodynamic stability among four sets of perfect match and single-base mismatch duplexes. We further demonstrate that these rate profiles are strongly temperature dependent and illustrate how the sensitivity can be compensated beneficially by the use of an actuating gradient pH field. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
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Farash, Katherine; Hanson, Erin K; Ballantyne, Jack
2015-03-09
DNA profiles can be obtained from 'touch DNA' evidence, which comprises microscopic traces of human biological material. Current methods for the recovery of trace DNA employ cotton swabs or adhesive tape to sample an area of interest. However, such a 'blind-swabbing' approach will co-sample cellular material from the different individuals, even if the individuals' cells are located in geographically distinct locations on the item. Thus, some of the DNA mixtures encountered in touch DNA samples are artificially created by the swabbing itself. In some instances, a victim's DNA may be found in significant excess thus masking any potential perpetrator's DNA. In order to circumvent the challenges with standard recovery and analysis methods, we have developed a lower cost, 'smart analysis' method that results in enhanced genetic analysis of touch DNA evidence. We describe an optimized and efficient micromanipulation recovery strategy for the collection of bio-particles present in touch DNA samples, as well as an enhanced amplification strategy involving a one-step 5 µl microvolume lysis/STR amplification to permit the recovery of STR profiles from the bio-particle donor(s). The use of individual or few (i.e., "clumps") bioparticles results in the ability to obtain single source profiles. These procedures represent alternative enhanced techniques for the isolation and analysis of single bioparticles from forensic touch DNA evidence. While not necessary in every forensic investigation, the method could be highly beneficial for the recovery of a single source perpetrator DNA profile in cases involving physical assault (e.g., strangulation) that may not be possible using standard analysis techniques. Additionally, the strategies developed here offer an opportunity to obtain genetic information at the single cell level from a variety of other non-forensic trace biological material.
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MEASURING COLLISIONLESS DAMPING IN HELIOSPHERIC PLASMAS USING FIELD–PARTICLE CORRELATIONS
DOE Office of Scientific and Technical Information (OSTI.GOV)
Klein, K. G.; Howes, G. G.
2016-08-01
An innovative field–particle correlation technique is proposed that uses single-point measurements of the electromagnetic fields and particle velocity distribution functions to investigate the net transfer of energy from fields to particles associated with the collisionless damping of turbulent fluctuations in weakly collisional plasmas, such as the solar wind. In addition to providing a direct estimate of the local rate of energy transfer between fields and particles, it provides vital new information about the distribution of that energy transfer in velocity space. This velocity-space signature can potentially be used to identify the dominant collisionless mechanism responsible for the damping of turbulentmore » fluctuations in the solar wind. The application of this novel field–particle correlation technique is illustrated using the simplified case of the Landau damping of Langmuir waves in an electrostatic 1D-1V Vlasov–Poisson plasma, showing that the procedure both estimates the local rate of energy transfer from the electrostatic field to the electrons and indicates the resonant nature of this interaction. Modifications of the technique to enable single-point spacecraft measurements of fields and particles to diagnose the collisionless damping of turbulent fluctuations in the solar wind are discussed, yielding a method with the potential to transform our ability to maximize the scientific return from current and upcoming spacecraft missions, such as the Magnetospheric Multiscale ( MMS ) and Solar Probe Plus missions.« less
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NASA Astrophysics Data System (ADS)
Gaston, C.; Pratt, K.; Suski, K. J.; May, N.; Gill, T. E.; Prather, K. A.
2016-12-01
Saline playas (dried lake beds) emit large quantities of dust that can facilitate the activation of cloud droplets. Despite the potential importance of playa dust for cloud formation, several models assume that dust is non-hygroscopic highlighting the need for measurements to clarify the role of dust from multiple sources in aerosol-cloud-climate interactions. Here we present water uptake measurements onto playa dust represented by the hygroscopicity parameter κ, which ranged from 0.002 ± 0.001 to 0.818 ± 0.094. Single-particle measurements made using an aircraft-aerosol time-of-flight mass spectrometer (A-ATOFMS) revealed the presence of halite, sodium sulfates, and sodium carbonates that were strongly correlated with κ underscoring the role that dust composition plays in water uptake. Predictions of κ made using bulk chemical techniques generally showed good agreement with measured values; however, several samples were poorly predicted using bulk particle composition. The lack of measurements/model agreement using this method and the strong correlations between κ and single-particle data are suggestive of chemical heterogeneities as a function of particle size and/or chemically distinct particle surfaces that dictate the water uptake properties of playa dust particles. Overall, our results highlight the ability of playa dust particles to act as cloud condensation nuclei that should be accounted for in models.
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NASA Technical Reports Server (NTRS)
Cornell, Stephen R.; Leser, William P.; Hochhalter, Jacob D.; Newman, John A.; Hartl, Darren J.
2014-01-01
A method for detecting fatigue cracks has been explored at NASA Langley Research Center. Microscopic NiTi shape memory alloy (sensory) particles were embedded in a 7050 aluminum alloy matrix to detect the presence of fatigue cracks. Cracks exhibit an elevated stress field near their tip inducing a martensitic phase transformation in nearby sensory particles. Detectable levels of acoustic energy are emitted upon particle phase transformation such that the existence and location of fatigue cracks can be detected. To test this concept, a fatigue crack was grown in a mode-I single-edge notch fatigue crack growth specimen containing sensory particles. As the crack approached the sensory particles, measurements of particle strain, matrix-particle debonding, and phase transformation behavior of the sensory particles were performed. Full-field deformation measurements were performed using a novel multi-scale optical 3D digital image correlation (DIC) system. This information will be used in a finite element-based study to determine optimal sensory material behavior and density.
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NASA Astrophysics Data System (ADS)
Kozynchenko, Alexander I.; Kozynchenko, Sergey A.
2017-03-01
In the paper, a problem of improving efficiency of the particle-particle- particle-mesh (P3M) algorithm in computing the inter-particle electrostatic forces is considered. The particle-mesh (PM) part of the algorithm is modified in such a way that the space field equation is solved by the direct method of summation of potentials over the ensemble of particles lying not too close to a reference particle. For this purpose, a specific matrix "pattern" is introduced to describe the spatial field distribution of a single point charge, so the "pattern" contains pre-calculated potential values. This approach allows to reduce a set of arithmetic operations performed at the innermost of nested loops down to an addition and assignment operators and, therefore, to decrease the running time substantially. The simulation model developed in C++ substantiates this view, showing the descent accuracy acceptable in particle beam calculations together with the improved speed performance.
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Van den Heuvel, Frank
2014-01-01
Purpose To present a closed formalism calculating charged particle radiation damage induced in DNA. The formalism is valid for all types of charged particles and due to its closed nature is suited to provide fast conversion of dose to DNA-damage. Methods The induction of double strand breaks in DNA–strings residing in irradiated cells is quantified using a single particle model. This leads to a proposal to use the cumulative Cauchy distribution to express the mix of high and low LET type damage probability generated by a single particle. A microscopic phenomenological Monte Carlo code is used to fit the parameters of the model as a function of kinetic energy related to the damage to a DNA molecule embedded in a cell. The model is applied for four particles: electrons, protons, alpha–particles, and carbon ions. A geometric interpretation of this observation using the impact ionization mean free path as a quantifier, allows extension of the model to very low energies. Results The mathematical expression describes the model adequately using a chi–square test (). This applies to all particle types with an almost perfect fit for protons, while the other particles seem to result in some discrepancies at very low energies. The implementation calculating a strict version of the RBE based on complex damage alone is corroborated by experimental data from the measured RBE. The geometric interpretation generates a unique dimensionless parameter for each type of charged particle. In addition, it predicts a distribution of DNA damage which is different from the current models. PMID:25340636
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NASA Astrophysics Data System (ADS)
Liao, J.; Middlebrook, A. M.; Welti, A.; Sueper, D.; Murphy, D. M.
2014-12-01
Single particles in the eastern US were characterized by a light scattering module coupled to a time-of-flight aerosol mass spectrometer (LS-ToF-AMS) onboard the NOAA P-3 aircraft during the Southeastern Nexus (SENEX) campaign. Single particle data were collected for 30 seconds every 5 minutes. Aerosols larger than 200-300 nm in vacuum aerodynamic diameter can be optically detected by the 405 nm crystal laser and trigger the saving of single particle mass spectra. The measured single particles are internally-mixed as expected. The single particles were classified as prompt, delayed, and null based on the chemical ion signal arrival time difference between prediction from the light scattering signal and measurement by mass spectrometer and the presence or absence of a mass spectrum. On average the number fraction of particles detected as prompt, delayed, and null (no spectrum) is about 30%, 10%, and 60%. The number fraction of these three particle types varied with aerosol size, chemical composition and the investigation region and will be discussed in detail. For example, the number fraction of prompt particles was significantly higher for the flight to the Pennsylvania natural gas shale region on July 6, 2013, which is probably related to the chemical composition (more acidic) and phase of the ambient particles. These particle types and detection efficiency are related to the bouncing effect on the vaporizer and may provide insight into the non-unit AMS collection efficiency. Moreover, most of the particles larger than 800 nm in vacuum aerodynamic diameter sized with the traditional AMS PToF mode are delayed particles and their mass spectral signals appear to be affected by this process.
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Quantum cryptography using single-particle entanglement
DOE Office of Scientific and Technical Information (OSTI.GOV)
Lee, Jae-Weon; Lee, Eok Kyun; Chung, Yong Wook
2003-07-01
A quantum cryptography scheme based on entanglement between a single-particle state and a vacuum state is proposed. The scheme utilizes linear optics devices to detect the superposition of the vacuum and single-particle states. Existence of an eavesdropper can be detected by using a variant of Bell's inequality.
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Specific findings on ice crystal microphysical properties from in-situ observation
NASA Astrophysics Data System (ADS)
Coutris, Pierre; Leroy, Delphine; Fontaine, Emmanuel; Schwarzenboeck, Alfons; Strapp, J. Walter
2017-04-01
This study focuses on microphysical properties of ice particles populating high ice water content areas in Mesoscale Convective Systems (MCS). These clouds have been extensively sampled during the High Altitude Ice Crystal - High Ice Water Content international projects (HAIC-HIWC, Dezitter et al. 2013, Strapp et al. 2015) with the objective of characterizing ice particle properties such as size distribution, radar reflectivity and ice water content. The in-situ data collected during these campaigns at different temperature levels and in different type of MCS (oceanic, continental) make the HAIC-HIWC data set a unique opportunity to study ice particle microphysical properties. Recently, a new approach to retrieve ice particle mass from in-situ measurements has been developed: a forward model that relates ice particles' mass to Particle Size Distribution (PSD) and Ice Water Content (IWC) is formulated as a linear system of equations and the retrieval process consists in solving the inverse problem with numerical optimization tools (Coutris et al. 2016). In this study, this new method is applied to HAIC-HIWC data set and main outcomes are discussed. First, the method is compared to a classical power-law based method using data from one single flight performed in Darwin area on February, 7th 2014. The observed differences in retrieved quantities such as ice particle mass, ice water content or median mass diameter, highlight the potential benefit of abandoning the power law simplistic assumption. The method is then applied to data measured at different cloud temperatures ranging from -40°C to -10°C during several flights of both Darwin 2014 and Cayenne 2015 campaigns. Specific findings about ice microphysical properties such as variations of effective density with particle size and the influence of cloud temperature on particle effective density are presented.
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NASA Astrophysics Data System (ADS)
Shefer, O. V.; Shefer, V. A.; Sinyukova, E. A.
2014-12-01
Studies of the role of atmospheric formations and cosmic dust clouds in the transmission of radiation is one of the most uncertain and difficult problems in astrophysics and climatology. One of the main tasks of practical astrophysics is the interpretation of the results of observations of space objects. There is a necessity of describing the propagation of electromagnetic waves in the environment. In this paper, applying the numerical methods, we study the optical characteristics of polydisperse media consisting of randomly oriented and preferentially oriented crystals, taking into account the distribution function of particle sizes. Particles of spherical shape and ensembles preferentially oriented plate crystals are considered as models. Mie theory and method of physical optics are used to calculate the scattering characteristics. Numerical study of the effects of extinction, scattering and absorption on the single scattering albedo of radiation allowed us to establish the basic patterns of the passage of radiant energy through a translucent medium. At the visible range of wavelengths, both for small and large particles, the single scattering albedo is almost equal to 1. The spectral course of this optical performance is mainly determined by the refractive index of the particles. Features of wave dependence of single scattering albedo are associated with microphysical parameters of the environment, which are more pronounced when the attenuation of the radiation is determined mainly by the scattering. Higher values of the absorption index and optical thickness of the crystal reduce the value of the single scattering albedo, smoothing the features of its spectral course. Values of the absorption index of substance, as value of the order of 0.1, do not lead to a decrease of the single scattering albedo as it is less than 0.5. This allows us to conclude that we should not neglect the microphysical characteristics of the crystals even by strong absorption of radiant energy in the IR wavelength range. The presence of particles in the environment affects the passage of electromagnetic radiation that carries information about the radiation source. Study of factors affecting on the transformation of the radiation is of great importance. Study of the optical characteristics of polydisperse formations in the atmosphere and space allows to obtain useful data about the composition of the medium and to take them into account of the observational data. The work was supported by the Ministry of Education and Science of the Russian Federation, projects no. 645(4.1349.2014) and 2014/223(1567).
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The effect of bean origin and temperature on grinding roasted coffee
NASA Astrophysics Data System (ADS)
Uman, Erol; Colonna-Dashwood, Maxwell; Colonna-Dashwood, Lesley; Perger, Matthew; Klatt, Christian; Leighton, Stephen; Miller, Brian; Butler, Keith T.; Melot, Brent C.; Speirs, Rory W.; Hendon, Christopher H.
2016-04-01
Coffee is prepared by the extraction of a complex array of organic molecules from the roasted bean, which has been ground into fine particulates. The extraction depends on temperature, water chemistry and also the accessible surface area of the coffee. Here we investigate whether variations in the production processes of single origin coffee beans affects the particle size distribution upon grinding. We find that the particle size distribution is independent of the bean origin and processing method. Furthermore, we elucidate the influence of bean temperature on particle size distribution, concluding that grinding cold results in a narrower particle size distribution, and reduced mean particle size. We anticipate these results will influence the production of coffee industrially, as well as contribute to how we store and use coffee daily.
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The effect of bean origin and temperature on grinding roasted coffee.
Uman, Erol; Colonna-Dashwood, Maxwell; Colonna-Dashwood, Lesley; Perger, Matthew; Klatt, Christian; Leighton, Stephen; Miller, Brian; Butler, Keith T; Melot, Brent C; Speirs, Rory W; Hendon, Christopher H
2016-04-18
Coffee is prepared by the extraction of a complex array of organic molecules from the roasted bean, which has been ground into fine particulates. The extraction depends on temperature, water chemistry and also the accessible surface area of the coffee. Here we investigate whether variations in the production processes of single origin coffee beans affects the particle size distribution upon grinding. We find that the particle size distribution is independent of the bean origin and processing method. Furthermore, we elucidate the influence of bean temperature on particle size distribution, concluding that grinding cold results in a narrower particle size distribution, and reduced mean particle size. We anticipate these results will influence the production of coffee industrially, as well as contribute to how we store and use coffee daily.
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The effect of bean origin and temperature on grinding roasted coffee
Uman, Erol; Colonna-Dashwood, Maxwell; Colonna-Dashwood, Lesley; Perger, Matthew; Klatt, Christian; Leighton, Stephen; Miller, Brian; Butler, Keith T.; Melot, Brent C.; Speirs, Rory W.; Hendon, Christopher H.
2016-01-01
Coffee is prepared by the extraction of a complex array of organic molecules from the roasted bean, which has been ground into fine particulates. The extraction depends on temperature, water chemistry and also the accessible surface area of the coffee. Here we investigate whether variations in the production processes of single origin coffee beans affects the particle size distribution upon grinding. We find that the particle size distribution is independent of the bean origin and processing method. Furthermore, we elucidate the influence of bean temperature on particle size distribution, concluding that grinding cold results in a narrower particle size distribution, and reduced mean particle size. We anticipate these results will influence the production of coffee industrially, as well as contribute to how we store and use coffee daily. PMID:27086837
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Xu, Jiao; Li, Mei; Shi, Guoliang; Wang, Haiting; Ma, Xian; Wu, Jianhui; Shi, Xurong; Feng, Yinchang
2017-11-15
In this study, single particle mass spectra signatures of both coal burning boiler and biomass burning boiler emitted particles were studied. Particle samples were suspended in clean Resuspension Chamber, and analyzed by ELPI and SPAMS simultaneously. The size distribution of BBB (biomass burning boiler sample) and CBB (coal burning boiler sample) are different, as BBB peaks at smaller size, and CBB peaks at larger size. Mass spectra signatures of two samples were studied by analyzing the average mass spectrum of each particle cluster extracted by ART-2a in different size ranges. In conclusion, BBB sample mostly consists of OC and EC containing particles, and a small fraction of K-rich particles in the size range of 0.2-0.5μm. In 0.5-1.0μm, BBB sample consists of EC, OC, K-rich and Al_Silicate containing particles; CBB sample consists of EC, ECOC containing particles, while Al_Silicate (including Al_Ca_Ti_Silicate, Al_Ti_Silicate, Al_Silicate) containing particles got higher fractions as size increase. The similarity of single particle mass spectrum signatures between two samples were studied by analyzing the dot product, results indicated that part of the single particle mass spectra of two samples in the same size range are similar, which bring challenge to the future source apportionment activity by using single particle aerosol mass spectrometer. Results of this study will provide physicochemical information of important sources which contribute to particle pollution, and will support source apportionment activities. Copyright © 2017. Published by Elsevier B.V.
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Kroll, Alexandra; Haramagatti, Chandrashekara R.; Lipinski, Hans-Gerd; Wiemann, Martin
2017-01-01
Darkfield and confocal laser scanning microscopy both allow for a simultaneous observation of live cells and single nanoparticles. Accordingly, a characterization of nanoparticle uptake and intracellular mobility appears possible within living cells. Single particle tracking allows to measure the size of a diffusing particle close to a cell. However, within the more complex system of a cell’s cytoplasm normal, confined or anomalous diffusion together with directed motion may occur. In this work we present a method to automatically classify and segment single trajectories into their respective motion types. Single trajectories were found to contain more than one motion type. We have trained a random forest with 9 different features. The average error over all motion types for synthetic trajectories was 7.2%. The software was successfully applied to trajectories of positive controls for normal- and constrained diffusion. Trajectories captured by nanoparticle tracking analysis served as positive control for normal diffusion. Nanoparticles inserted into a diblock copolymer membrane was used to generate constrained diffusion. Finally we segmented trajectories of diffusing (nano-)particles in V79 cells captured with both darkfield- and confocal laser scanning microscopy. The software called “TraJClassifier” is freely available as ImageJ/Fiji plugin via https://git.io/v6uz2. PMID:28107406
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A method for grindability testing using the Scirocco disperser.
Bonakdar, Tina; Ali, Muzammil; Dogbe, Selasi; Ghadiri, Mojtaba; Tinke, Arjen
2016-03-30
In the early stages of development of a new Active Pharmaceutical Ingredient (API), insufficient material quantity is available for addressing processing issues, and it is highly desirable to be able to assess processability issues using the smallest possible powder sample quantity. A good example is milling of new active pharmaceutical ingredients. For particle breakage that is sensitive to strain rate, impact testing is the most appropriate method. However, there is no commercially available single particle impact tester for fine particulate solids. In contrast, dry powder dispersers, such as the Scirocco disperser of the Malvern Mastersizer 2000, are widely available, and can be used for this purpose, provided particle impact velocity is known. However, the distance within which the particles can accelerate before impacting on the bend is very short and different particle sizes accelerate to different velocities before impact. As the breakage is proportional to the square of impact velocity, the interpretation of breakage data is not straightforward and requires an analysis of particle velocity as a function of size, density and shape. We report our work using an integrated experimental and CFD modelling approach to evaluate the suitability of this device as a grindability testing device, with the particle sizing being done immediately following dispersion by laser diffraction. Aspirin, sucrose and α-lactose monohydrate are tested using narrow sieve cuts in order to minimise variations in impact velocity. The tests are carried out at eight different air nozzle pressures. As intuitively expected, smaller particles accelerate faster and impact the wall at a higher velocity compared to the larger particles. However, for a given velocity the extent of breakage of larger particles is larger. Using a numerical simulation based on CFD, the relationship between impact velocity and particle size and density has been established assuming a spherical shape, and using one-way coupling, as the particle concentration is very low. Taking account of these dependencies, a clear unification of the change in the specific surface area as a function of particle size, density and impact velocity is observed, and the slope of the fitted line gives a measure of grindability for each material. The trend of data obtained here matches the one obtained by single particle impact testing. Hence aerodynamic dispersion of solids by the Scirocco disperser can be used to evaluate the ease of grindability of different materials. Copyright © 2016 Elsevier B.V. All rights reserved.
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Monte Carlo calculation of large and small-angle electron scattering in air
NASA Astrophysics Data System (ADS)
Cohen, B. I.; Higginson, D. P.; Eng, C. D.; Farmer, W. A.; Friedman, A.; Grote, D. P.; Larson, D. J.
2017-11-01
A Monte Carlo method for angle scattering of electrons in air that accommodates the small-angle multiple scattering and larger-angle single scattering limits is introduced. The algorithm is designed for use in a particle-in-cell simulation of electron transport and electromagnetic wave effects in air. The method is illustrated in example calculations.
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Three-dimensional manipulation of single cells using surface acoustic waves
Guo, Feng; Mao, Zhangming; Chen, Yuchao; Xie, Zhiwei; Lata, James P.; Li, Peng; Ren, Liqiang; Liu, Jiayang; Yang, Jian; Dao, Ming; Suresh, Subra; Huang, Tony Jun
2016-01-01
The ability of surface acoustic waves to trap and manipulate micrometer-scale particles and biological cells has led to many applications involving “acoustic tweezers” in biology, chemistry, engineering, and medicine. Here, we present 3D acoustic tweezers, which use surface acoustic waves to create 3D trapping nodes for the capture and manipulation of microparticles and cells along three mutually orthogonal axes. In this method, we use standing-wave phase shifts to move particles or cells in-plane, whereas the amplitude of acoustic vibrations is used to control particle motion along an orthogonal plane. We demonstrate, through controlled experiments guided by simulations, how acoustic vibrations result in micromanipulations in a microfluidic chamber by invoking physical principles that underlie the formation and regulation of complex, volumetric trapping nodes of particles and biological cells. We further show how 3D acoustic tweezers can be used to pick up, translate, and print single cells and cell assemblies to create 2D and 3D structures in a precise, noninvasive, label-free, and contact-free manner. PMID:26811444
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Optimal estimation of diffusion coefficients from single-particle trajectories
NASA Astrophysics Data System (ADS)
Vestergaard, Christian L.; Blainey, Paul C.; Flyvbjerg, Henrik
2014-02-01
How does one optimally determine the diffusion coefficient of a diffusing particle from a single-time-lapse recorded trajectory of the particle? We answer this question with an explicit, unbiased, and practically optimal covariance-based estimator (CVE). This estimator is regression-free and is far superior to commonly used methods based on measured mean squared displacements. In experimentally relevant parameter ranges, it also outperforms the analytically intractable and computationally more demanding maximum likelihood estimator (MLE). For the case of diffusion on a flexible and fluctuating substrate, the CVE is biased by substrate motion. However, given some long time series and a substrate under some tension, an extended MLE can separate particle diffusion on the substrate from substrate motion in the laboratory frame. This provides benchmarks that allow removal of bias caused by substrate fluctuations in CVE. The resulting unbiased CVE is optimal also for short time series on a fluctuating substrate. We have applied our estimators to human 8-oxoguanine DNA glycolase proteins diffusing on flow-stretched DNA, a fluctuating substrate, and found that diffusion coefficients are severely overestimated if substrate fluctuations are not accounted for.
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Basic problems and new potentials in monitoring sediment transport using Japanese pipe type geophone
NASA Astrophysics Data System (ADS)
Sakajo, Saiichi
2016-04-01
The authors have conducted a lot of series of monitoring of sediment transport by pipe type geophone in a model hydrological channel with various gradients and water discharge, using the various size of particles from 2 to 21 mm in the diameter. In the case of casting soils particle by particle into the water channel, 1,000 test cases were conducted. In the case of casting all soils at a breath into the water channel, 100 test cases were conducted. The all test results were totally analyzed by the conventional method, with visible judgement by video pictures. Then several important basic problems were found in estimating the volume and particle distributions by the conventional method, which was not found in the past similar studies. It was because the past studies did not consider the types of collisions between sediment particle and pipe. Based on these experiments, the authors have firstly implemented this idea into the old formula to estimate the amount of sediment transport. In the formula, two factors of 1) the rate of sensing in a single collision and 2) the rate of collided particles to a cast all soil particles were concretely considered. The parameters of these factors could be determined from the experimental results and it was found that the obtained formula could estimate grain size distribution. In this paper, they explain the prototype formula to estimate a set of volume and distribution of sediment transport. Another finding in this study is to propose a single collision as a river index to recognize its characteristics of sediment transport. This result could characterize the risk ranking of sediment transport in the rivers and mudflow in the mountainous rivers. Furthermore, in this paper the authors explain how the preciseness of the pipe geophone to sense the smaller sediment particles shall be improved, which has never been able to be sensed.
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String limit of the isotropic Heisenberg chain in the four-particle sector
DOE Office of Scientific and Technical Information (OSTI.GOV)
Antipov, A. G., E-mail: aga2@csa.ru; Komarov, I. V., E-mail: ivkoma@rambler.r
2008-05-15
The quantum method of variable separation is applied to the spectral problem of the isotropic Heisenberg model. The Baxter difference equation is resolved by means of a special quasiclassical asymptotic expansion. States are identified by multiplicities of limiting values of the Bethe parameters. The string limit of the four-particle sector is investigated. String solutions are singled out and classified. It is shown that only a minor fraction of solutions demonstrate string behavior.
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Multi-party quantum summation without a trusted third party based on single particles
NASA Astrophysics Data System (ADS)
Zhang, Cai; Situ, Haozhen; Huang, Qiong; Yang, Pingle
We propose multi-party quantum summation protocols based on single particles, in which participants are allowed to compute the summation of their inputs without the help of a trusted third party and preserve the privacy of their inputs. Only one participant who generates the source particles needs to perform unitary operations and only single particles are needed in the beginning of the protocols.
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Wavefront correction using machine learning methods for single molecule localization microscopy
NASA Astrophysics Data System (ADS)
Tehrani, Kayvan F.; Xu, Jianquan; Kner, Peter
2015-03-01
Optical Aberrations are a major challenge in imaging biological samples. In particular, in single molecule localization (SML) microscopy techniques (STORM, PALM, etc.) a high Strehl ratio point spread function (PSF) is necessary to achieve sub-diffraction resolution. Distortions in the PSF shape directly reduce the resolution of SML microscopy. The system aberrations caused by the imperfections in the optics and instruments can be compensated using Adaptive Optics (AO) techniques prior to imaging. However, aberrations caused by the biological sample, both static and dynamic, have to be dealt with in real time. A challenge for wavefront correction in SML microscopy is a robust optimization approach in the presence of noise because of the naturally high fluctuations in photon emission from single molecules. Here we demonstrate particle swarm optimization for real time correction of the wavefront using an intensity independent metric. We show that the particle swarm algorithm converges faster than the genetic algorithm for bright fluorophores.
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Liu, Dandan; Pan, Hao; He, Fengwei; Wang, Xiaoyu; Li, Jinyu; Yang, Xinggang; Pan, Weisan
2015-01-01
The purpose of this work was to explore the particle size reduction effect of carvedilol on dissolution and absorption. Three suspensions containing different sized particles were prepared by antisolvent precipitation method or in combination with an ultrasonication process. The suspensions were characterized for particle size, surface morphology, and crystalline state. The crystalline form of carvedilol was changed into amorphous form after antisolvent precipitation. The dissolution rate of carvedilol was significantly accelerated by a reduction in particle size. The intestinal absorption of carvedilol nanosuspensions was greatly improved in comparison with microsuspensions and solution in the in situ single-pass perfusion experiment. The in vivo evaluation demonstrated that carvedilol nanosuspensions and microsuspensions exhibited markedly increased Cmax (2.09- and 1.48-fold) and AUC0−t (2.11- and 1.51-fold), and decreased Tmax (0.34- and 0.48-fold) in contrast with carvedilol coarse suspensions. Moreover, carvedilol nanosuspensions showed good biocompatibility with the rat gastric mucosa in in vivo gastrointestinal irritation test. The entire results implicated that the dissolution rate and the oral absorption of carvedilol were significantly affected by the particle size. Particle size reduction to form nanosized particles was found to be an efficient method for improving the oral bioavailability of carvedilol. PMID:26508852
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Single-particle dispersion in compressible turbulence
NASA Astrophysics Data System (ADS)
Zhang, Qingqing; Xiao, Zuoli
2018-04-01
Single-particle dispersion statistics in compressible box turbulence are studied using direct numerical simulation. Focus is placed on the detailed discussion of effects of the particle Stokes number and turbulent Mach number, as well as the forcing type. When solenoidal forcing is adopted, it is found that the single-particle dispersion undergoes a transition from the ballistic regime at short times to the diffusive regime at long times, in agreement with Taylor's particle dispersion argument. The strongest dispersion of heavy particles is announced when the Stokes number is of order 1, which is similar to the scenario in incompressible turbulence. The dispersion tends to be suppressed as the Mach number increases. When hybrid solenoidal and compressive forcing at a ratio of 1/2 is employed, the flow field shows apparent anisotropic property, characterized by the appearance of large shock wave structures. Accordingly, the single-particle dispersion shows extremely different behavior from the solenoidal forcing case.
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NASA Astrophysics Data System (ADS)
Muggiolu, Giovanna; Pomorski, Michal; Claverie, Gérard; Berthet, Guillaume; Mer-Calfati, Christine; Saada, Samuel; Devès, Guillaume; Simon, Marina; Seznec, Hervé; Barberet, Philippe
2017-01-01
As well as being a significant source of environmental radiation exposure, α-particles are increasingly considered for use in targeted radiation therapy. A better understanding of α-particle induced damage at the DNA scale can be achieved by following their tracks in real-time in targeted living cells. Focused α-particle microbeams can facilitate this but, due to their low energy (up to a few MeV) and limited range, α-particles detection, delivery, and follow-up observations of radiation-induced damage remain difficult. In this study, we developed a thin Boron-doped Nano-Crystalline Diamond membrane that allows reliable single α-particles detection and single cell irradiation with negligible beam scattering. The radiation-induced responses of single 3 MeV α-particles delivered with focused microbeam are visualized in situ over thirty minutes after irradiation by the accumulation of the GFP-tagged RNF8 protein at DNA damaged sites.
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NASA Astrophysics Data System (ADS)
Chia, Nicholas; Bundschuh, Ralf
2005-11-01
In the universality class of the one-dimensional Kardar-Parisi-Zhang (KPZ) surface growth, Derrida and Lebowitz conjectured the universality of not only the scaling exponents, but of an entire scaling function. Since and Derrida and Lebowitz’s original publication [Phys. Rev. Lett. 80, 209 (1998)] this universality has been verified for a variety of continuous-time, periodic-boundary systems in the KPZ universality class. Here, we present a numerical method for directly examining the entire particle flux of the asymmetric exclusion process (ASEP), thus providing an alternative to more difficult cumulant ratios studies. Using this method, we find that the Derrida-Lebowitz scaling function (DLSF) properly characterizes the large-system-size limit (N→∞) of a single-particle discrete time system, even in the case of very small system sizes (N⩽22) . This fact allows us to not only verify that the DLSF properly characterizes multiple-particle discrete-time asymmetric exclusion processes, but also provides a way to numerically solve for quantities of interest, such as the particle hopping flux. This method can thus serve to further increase the ease and accessibility of studies involving even more challenging dynamics, such as the open-boundary ASEP.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Abbas, M., E-mail: micheline.abbas@ensiacet.fr; CNRS, Fédération de recherche FERMaT, CNRS, 31400, Toulouse; Magaud, P.
2014-12-15
The migration of neutrally buoyant finite sized particles in a Newtonian square channel flow is investigated in the limit of very low solid volumetric concentration, within a wide range of channel Reynolds numbers Re = [0.07-120]. In situ microscope measurements of particle distributions, taken far from the channel inlet (at a distance several thousand times the channel height), revealed that particles are preferentially located near the channel walls at Re > 10 and near the channel center at Re < 1. Whereas the cross-streamline particle motion is governed by inertia-induced lift forces at high inertia, it seems to be controlledmore » by shear-induced particle interactions at low (but finite) Reynolds numbers, despite the low solid volume fraction (<1%). The transition between both regimes is observed in the range Re = [1-10]. In order to exclude the effect of multi-body interactions, the trajectories of single freely moving particles are calculated thanks to numerical simulations based on the force coupling method. With the deployed numerical tool, the complete particle trajectories are accessible within a reasonable computational time only in the inertial regime (Re > 10). In this regime, we show that (i) the particle undergoes cross-streamline migration followed by a cross-lateral migration (parallel to the wall) in agreement with previous observations, and (ii) the stable equilibrium positions are located at the midline of the channel faces while the diagonal equilibrium positions are unstable. At low flow inertia, the first instants of the numerical simulations (carried at Re = O(1)) reveal that the cross-streamline migration of a single particle is oriented towards the channel wall, suggesting that the particle preferential positions around the channel center, observed in the experiments, are rather due to multi-body interactions.« less
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Xu, Zuwei; Zhao, Haibo, E-mail: klinsmannzhb@163.com; Zheng, Chuguang
2015-01-15
This paper proposes a comprehensive framework for accelerating population balance-Monte Carlo (PBMC) simulation of particle coagulation dynamics. By combining Markov jump model, weighted majorant kernel and GPU (graphics processing unit) parallel computing, a significant gain in computational efficiency is achieved. The Markov jump model constructs a coagulation-rule matrix of differentially-weighted simulation particles, so as to capture the time evolution of particle size distribution with low statistical noise over the full size range and as far as possible to reduce the number of time loopings. Here three coagulation rules are highlighted and it is found that constructing appropriate coagulation rule providesmore » a route to attain the compromise between accuracy and cost of PBMC methods. Further, in order to avoid double looping over all simulation particles when considering the two-particle events (typically, particle coagulation), the weighted majorant kernel is introduced to estimate the maximum coagulation rates being used for acceptance–rejection processes by single-looping over all particles, and meanwhile the mean time-step of coagulation event is estimated by summing the coagulation kernels of rejected and accepted particle pairs. The computational load of these fast differentially-weighted PBMC simulations (based on the Markov jump model) is reduced greatly to be proportional to the number of simulation particles in a zero-dimensional system (single cell). Finally, for a spatially inhomogeneous multi-dimensional (multi-cell) simulation, the proposed fast PBMC is performed in each cell, and multiple cells are parallel processed by multi-cores on a GPU that can implement the massively threaded data-parallel tasks to obtain remarkable speedup ratio (comparing with CPU computation, the speedup ratio of GPU parallel computing is as high as 200 in a case of 100 cells with 10 000 simulation particles per cell). These accelerating approaches of PBMC are demonstrated in a physically realistic Brownian coagulation case. The computational accuracy is validated with benchmark solution of discrete-sectional method. The simulation results show that the comprehensive approach can attain very favorable improvement in cost without sacrificing computational accuracy.« less
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Nanostructure Neutron Converter Layer Development
NASA Technical Reports Server (NTRS)
Park, Cheol (Inventor); Lowther, Sharon E. (Inventor); Kang, Jin Ho (Inventor); Thibeault, Sheila A. (Inventor); Sauti, Godfrey (Inventor); Bryant, Robert G. (Inventor)
2016-01-01
Methods for making a neutron converter layer are provided. The various embodiment methods enable the formation of a single layer neutron converter material. The single layer neutron converter material formed according to the various embodiments may have a high neutron absorption cross section, tailored resistivity providing a good electric field penetration with submicron particles, and a high secondary electron emission coefficient. In an embodiment method a neutron converter layer may be formed by sequential supercritical fluid metallization of a porous nanostructure aerogel or polyimide film. In another embodiment method a neutron converter layer may be formed by simultaneous supercritical fluid metallization of a porous nanostructure aerogel or polyimide film. In a further embodiment method a neutron converter layer may be formed by in-situ metalized aerogel nanostructure development.
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Single-particle mapping of nonequilibrium nanocrystal transformations
Ye, Xingchen; Jones, Matthew R.; Frechette, Layne B.; ...
2016-11-18
Chemists have developed mechanistic insight into numerous chemical reactions by thoroughly characterizing nonequilibrium species. Although methods to probe these processes are well established for molecules, analogous techniques for understanding intermediate structures in nanomaterials have been lacking. For this study, we monitor the shape evolution of individual anisotropic gold nanostructures as they are oxidatively etched in a graphene liquid cell with a controlled redox environment. Short-lived, nonequilibrium nanocrystals are observed, structurally analyzed, and rationalized through Monte Carlo simulations. Understanding these reaction trajectories provides important fundamental insight connecting high-energy nanocrystal morphologies to the development of kinetically stabilized surface features and demonstrates themore » importance of developing tools capable of probing short-lived nanoscale species at the single-particle level.« less
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NASA Astrophysics Data System (ADS)
Tselyaev, V.; Lyutorovich, N.; Speth, J.; Krewald, S.; Reinhard, P.-G.
2016-09-01
We present results of the time blocking approximation (TBA) for giant resonances in light-, medium-, and heavy-mass nuclei. The TBA is an extension of the widely used random-phase approximation (RPA) adding complex configurations by coupling to phonon excitations. A new method for handling the single-particle continuum is developed and applied in the present calculations. We investigate in detail the dependence of the numerical results on the size of the single-particle space and the number of phonons as well as on nuclear matter properties. Our approach is self-consistent, based on an energy-density functional of Skyrme type where we used seven different parameter sets. The numerical results are compared with experimental data.
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Probing the type of anomalous diffusion with single-particle tracking.
Ernst, Dominique; Köhler, Jürgen; Weiss, Matthias
2014-05-07
Many reactions in complex fluids, e.g. signaling cascades in the cytoplasm of living cells, are governed by a diffusion-driven encounter of reactants. Yet, diffusion in complex fluids often exhibits an anomalous characteristic ('subdiffusion'). Since different types of subdiffusion have distinct effects on timing and equilibria of chemical reactions, a thorough determination of the reactants' type of random walk is key to a quantitative understanding of reactions in complex fluids. Here we introduce a straightforward and simple approach for determining the type of subdiffusion from single-particle tracking data. Unlike previous approaches, our method also is sensitive to transient subdiffusion phenomena, e.g. obstructed diffusion below the percolation threshold. We validate our strategy with data from experiment and simulation.
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Patchy Particles of Block Copolymers from Interface-Engineered Emulsions
NASA Astrophysics Data System (ADS)
Ku, Kang Hee; Kim, Yongjoo; Yi, Gi-Ra; Jung, Yeon Sik; Kim, Bumjoon
A simple method for creating soft patchy particles with a variety of three-dimensional shapes has been developed through the evaporation-induced assembly of polystyrene-b-poly(4-vinylpyridine) (PS-b-P4VP) block copolymer (BCP) in an oil-in-water emulsion. Depending on the particle volume, a series of patchy particles in the shapes of snowmen, dumbbells, triangles, tetrahedra, and raspberry can be prepared, which are then precisely tuned by modulating the interfacial interaction at the particle/water interface using a mixture of two different surfactants. Moreover, for a given interfacial interaction, the stretching penalty of the BCPs in the patchy particles can be systematically controlled by adding P4VP homopolymers, which decreases the number of patches of soft particles from multiple patches to a single patch but increases the size of the patch. Calculations based on the strong segregation theory supported the experimental observation of various soft patchy particles and identified the underlying principles of their formation with tunable 3D structures.
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NASA Astrophysics Data System (ADS)
Stockwell, Chelsea E.; Kupc, Agnieszka; Witkowski, Bartłomiej; Talukdar, Ranajit K.; Liu, Yong; Selimovic, Vanessa; Zarzana, Kyle J.; Sekimoto, Kanako; Warneke, Carsten; Washenfelder, Rebecca A.; Yokelson, Robert J.; Middlebrook, Ann M.; Roberts, James M.
2018-05-01
The chemical composition of aerosol particles is a key aspect in determining their impact on the environment. For example, nitrogen-containing particles impact atmospheric chemistry, air quality, and ecological N deposition. Instruments that measure total reactive nitrogen (Nr = all nitrogen compounds except for N2 and N2O) focus on gas-phase nitrogen and very few studies directly discuss the instrument capacity to measure the mass of Nr-containing particles. Here, we investigate the mass quantification of particle-bound nitrogen using a custom Nr system that involves total conversion to nitric oxide (NO) across platinum and molybdenum catalysts followed by NO-O3 chemiluminescence detection. We evaluate the particle conversion of the Nr instrument by comparing to mass-derived concentrations of size-selected and counted ammonium sulfate ((NH4)2SO4), ammonium nitrate (NH4NO3), ammonium chloride (NH4Cl), sodium nitrate (NaNO3), and ammonium oxalate ((NH4)2C2O4) particles determined using instruments that measure particle number and size. These measurements demonstrate Nr-particle conversion across the Nr catalysts that is independent of particle size with 98 ± 10 % efficiency for 100-600 nm particle diameters. We also show efficient conversion of particle-phase organic carbon species to CO2 across the instrument's platinum catalyst followed by a nondispersive infrared (NDIR) CO2 detector. However, the application of this method to the atmosphere presents a challenge due to the small signal above background at high ambient levels of common gas-phase carbon compounds (e.g., CO2). We show the Nr system is an accurate particle mass measurement method and demonstrate its ability to calibrate particle mass measurement instrumentation using single-component, laboratory-generated, Nr-containing particles below 2.5 µm in size. In addition we show agreement with mass measurements of an independently calibrated online particle-into-liquid sampler directly coupled to the electrospray ionization source of a quadrupole mass spectrometer (PILS-ESI/MS) sampling in the negative-ion mode. We obtain excellent correlations (R2 = 0.99) of particle mass measured as Nr with PILS-ESI/MS measurements converted to the corresponding particle anion mass (e.g., nitrate, sulfate, and chloride). The Nr and PILS-ESI/MS are shown to agree to within ˜ 6 % for particle mass loadings of up to 120 µg m-3. Consideration of all the sources of error in the PILS-ESI/MS technique yields an overall uncertainty of ±20 % for these single-component particle streams. These results demonstrate the Nr system is a reliable direct particle mass measurement technique that differs from other particle instrument calibration techniques that rely on knowledge of particle size, shape, density, and refractive index.
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NASA Astrophysics Data System (ADS)
Marsden, Nicholas A.; Flynn, Michael J.; Allan, James D.; Coe, Hugh
2018-01-01
Mineralogy of silicate mineral dust has a strong influence on climate and ecosystems due to variation in physiochemical properties that result from differences in composition and crystal structure (mineral phase). Traditional offline methods of analysing mineral phase are labour intensive and the temporal resolution of the data is much longer than many atmospheric processes. Single-particle mass spectrometry (SPMS) is an established technique for the online size-resolved measurement of particle composition by laser desorption ionisation (LDI) followed by time-of-flight mass spectrometry (TOF-MS). Although non-quantitative, the technique is able to identify the presence of silicate minerals in airborne dust particles from markers of alkali metals and silicate molecular ions in the mass spectra. However, the differentiation of mineral phase in silicate particles by traditional mass spectral peak area measurements is not possible. This is because instrument function and matrix effects in the ionisation process result in variations in instrument response that are greater than the differences in composition between common mineral phases.In this study, we introduce a novel technique that enables the differentiation of mineral phase in silicate mineral particles by ion formation mechanism measured from subtle changes in ion arrival times at the TOF-MS detector. Using a combination of peak area and peak centroid measurements, we show that the arrangement of the interstitial alkali metals in the crystal structure, an important property in silicate mineralogy, influences the ion arrival times of elemental and molecular ion species in the negative ion mass spectra. A classification scheme is presented that allowed for the differentiation of illite-smectite, kaolinite and feldspar minerals on a single-particle basis. Online analysis of mineral dust aerosol generated from clay mineral standards produced mineral fractions that are in agreement with bulk measurements reported by traditional XRD (X-ray diffraction) analysis.
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NASA Astrophysics Data System (ADS)
Buyuk, Ersin; Karaman, Abdullah
2017-04-01
We estimated transmissivity and storage coefficient values from the single well water-level measurements positioned ahead of the mining face by using particle swarm optimization (PSO) technique. The water-level response to the advancing mining face contains an semi-analytical function that is not suitable for conventional inversion shemes because the partial derivative is difficult to calculate . Morever, the logaritmic behaviour of the model create difficulty for obtaining an initial model that may lead to a stable convergence. The PSO appears to obtain a reliable solution that produce a reasonable fit between water-level data and model function response. Optimization methods have been used to find optimum conditions consisting either minimum or maximum of a given objective function with regard to some criteria. Unlike PSO, traditional non-linear optimization methods have been used for many hydrogeologic and geophysical engineering problems. These methods indicate some difficulties such as dependencies to initial model, evolution of the partial derivatives that is required while linearizing the model and trapping at local optimum. Recently, Particle swarm optimization (PSO) became the focus of modern global optimization method that is inspired from the social behaviour of birds of swarms, and appears to be a reliable and powerful algorithms for complex engineering applications. PSO that is not dependent on an initial model, and non-derivative stochastic process appears to be capable of searching all possible solutions in the model space either around local or global optimum points.
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The infrared spectral transmittance of Aspergillus niger spore aggregated particle swarm
NASA Astrophysics Data System (ADS)
Zhao, Xinying; Hu, Yihua; Gu, Youlin; Li, Le
2015-10-01
Microorganism aggregated particle swarm, which is quite an important composition of complex media environment, can be developed as a new kind of infrared functional materials. Current researches mainly focus on the optical properties of single microorganism particle. As for the swarm, especially the microorganism aggregated particle swarm, a more accurate simulation model should be proposed to calculate its extinction effect. At the same time, certain parameters deserve to be discussed, which helps to better develop the microorganism aggregated particle swarm as a new kind of infrared functional materials. In this paper, take Aspergillus Niger spore as an example. On the one hand, a new calculation model is established. Firstly, the cluster-cluster aggregation (CCA) model is used to simulate the structure of Aspergillus Niger spore aggregated particle. Secondly, the single scattering extinction parameters for Aspergillus Niger spore aggregated particle are calculated by using the discrete dipole approximation (DDA) method. Thirdly, the transmittance of Aspergillus Niger spore aggregated particle swarm is simulated by using Monte Carlo method. On the other hand, based on the model proposed above, what influences can wavelength causes has been studied, including the spectral distribution of scattering intensity of Aspergillus Niger spore aggregated particle and the infrared spectral transmittance of the aggregated particle swarm within the range of 8-14μm incident infrared wavelengths. Numerical results indicate that the scattering intensity of Aspergillus Niger spore aggregated particle reduces with the increase of incident wavelengths at each scattering angle. Scattering energy mainly concentrates on the scattering angle between 0-40°, forward scattering has an obvious effect. In addition, the infrared transmittance of Aspergillus Niger spore aggregated particle swarm goes up with the increase of incident wavelengths. However, some turning points of the trend are associated with the absorption capacity of the swarm. When parameters of the swarm are set as follows: each Aspergillus Niger spore aggregated particle contains 40 original particles, the radius of original particle is 1.5μm, the density of aggregated particles is around 200/cm3, the measurement area is 4 meters thick, under conditions mentioned above, the infrared transmittance can be less than 10% between the incident wavelengths of 9.5-13μm. In the end, all the results provide the basis for better developing the microorganism aggregated particle swarm as a new kind of infrared functional materials and precisely choosing the effective defiladed infrared band.
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Modeling of single film bubble and numerical study of the plateau structure in foam system
NASA Astrophysics Data System (ADS)
Sun, Zhong-guo; Ni, Ni; Sun, Yi-jie; Xi, Guang
2018-02-01
The single-film bubble has a special geometry with a certain amount of gas shrouded by a thin layer of liquid film under the surface tension force both on the inside and outside surfaces of the bubble. Based on the mesh-less moving particle semi-implicit (MPS) method, a single-film double-gas-liquid-interface surface tension (SDST) model is established for the single-film bubble, which characteristically has totally two gas-liquid interfaces on both sides of the film. Within this framework, the conventional surface free energy surface tension model is improved by using a higher order potential energy equation between particles, and the modification results in higher accuracy and better symmetry properties. The complex interface movement in the oscillation process of the single-film bubble is numerically captured, as well as typical flow phenomena and deformation characteristics of the liquid film. In addition, the basic behaviors of the coalescence and connection process between two and even three single-film bubbles are studied, and the cases with bubbles of different sizes are also included. Furthermore, the classic plateau structure in the foam system is reproduced and numerically proved to be in the steady state for multi-bubble connections.
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Nearly Blinking-Free, High-Purity Single-Photon Emission by Colloidal InP/ZnSe Quantum Dots.
Chandrasekaran, Vigneshwaran; Tessier, Mickaël D; Dupont, Dorian; Geiregat, Pieter; Hens, Zeger; Brainis, Edouard
2017-10-11
Colloidal core/shell InP/ZnSe quantum dots (QDs), recently produced using an improved synthesis method, have a great potential in life-science applications as well as in integrated quantum photonics and quantum information processing as single-photon emitters. Single-particle spectroscopy of 10 nm QDs with 3.2 nm cores reveals strong photon antibunching attributed to fast (70 ps) Auger recombination of multiple excitons. The QDs exhibit very good photostability under strong optical excitation. We demonstrate that the antibunching is preserved when the QDs are excited above the saturation intensity of the fundamental-exciton transition. This result paves the way toward their usage as high-purity on-demand single-photon emitters at room temperature. Unconventionally, despite the strong Auger blockade mechanism, InP/ZnSe QDs also display very little luminescence intermittency ("blinking"), with a simple on/off blinking pattern. The analysis of single-particle luminescence statistics places these InP/ZnSe QDs in the class of nearly blinking-free QDs, with emission stability comparable to state-of-the-art thick-shell and alloyed-interface CdSe/CdS, but with improved single-photon purity.
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Nano-structured surface plasmon resonance sensor for sensitivity enhancement
NASA Astrophysics Data System (ADS)
Kim, Jae-Ho; Kim, Hyo-Sop; Kim, Jin-Ho; Choi, Sung-Wook; Cho, Yong-Jin
2008-08-01
A new nano-structured SPR sensor was devised to improve its sensitivity. Nano-scaled silica particles were used as the template to fabricate nano-structure. The surface of the silica particles was modified with thiol group and a single layer of the modified silica particles was attached on the gold or silver thin film using Langmuir-Blodgett (LB) method. Thereafter, gold or silver was coated on the template by an e-beam evaporator. Finally, the nano-structured surface with basin-like shape was obtained after removing the silica particles by sonication. Applying the new developed SPR sensor to a model food of alcoholic beverage, the sensitivities for the gold and silver nano-structured sensors, respectively, had 95% and 126% higher than the conventional one.
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Modeling a Single SEP Event from Multiple Vantage Points Using the iPATH Model
NASA Astrophysics Data System (ADS)
Hu, Junxiang; Li, Gang; Fu, Shuai; Zank, Gary; Ao, Xianzhi
2018-02-01
Using the recently extended 2D improved Particle Acceleration and Transport in the Heliosphere (iPATH) model, we model an example gradual solar energetic particle event as observed at multiple locations. Protons and ions that are energized via the diffusive shock acceleration mechanism are followed at a 2D coronal mass ejection-driven shock where the shock geometry varies across the shock front. The subsequent transport of energetic particles, including cross-field diffusion, is modeled by a Monte Carlo code that is based on a stochastic differential equation method. Time intensity profiles and particle spectra at multiple locations and different radial distances, separated in longitudes, are presented. The results shown here are relevant to the upcoming Parker Solar Probe mission.
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Li, Yi; Xu, Ben; Hu, Shenyang; ...
2015-07-01
The magnetic hysteresis loops and Barkhausen noise of a single α-iron with nonmagnetic particles are simulated to investigate into the magnetic hardening due to Cu-rich precipitates in irradiated reactor pressure vessel (RPV) steels. Phase field method basing Landau-Lifshitz-Gilbert (LLG) equation is used for this simulation. The results show that the presence of the nonmagnetic particle could result in magnetic hardening by making the nucleation of reversed domains difficult. The coercive field is found to increase, while the intensity of Barkhausen noise voltage is decreased when the nonmagnetic particle is introduced. Simulations demonstrate the impact of nucleation field of reversed domainsmore » on the magnetization reversal behavior and the magnetic properties.« less
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Bocca, Beatrice; Caimi, Stefano; Senofonte, Oreste; Alimonti, Alessandro; Petrucci, Francesco
2018-07-15
This study sought to develop analytical methods to characterize titanium dioxide (TiO 2 ) and zinc oxide (ZnO) nanoparticles (NPs), including the particle size distribution and concentration, in cream and spray sunscreens with different sun protection factor (SPF). The Single Particle Inductively Coupled Plasma-Mass Spectrometry (SP ICP-MS) was used as screening and fast method to determine particles size and number. The Asymmetric Flow-Field Flow Fractionation (AF4-FFF) as a pre-separation technique was on-line coupled to the Multi-Angle Light Scattering (MALS) and ICP-MS to determine particle size distributions and size dependent multi-elemental concentration. Both methods were optimized in sunscreens in terms of recovery, repeatability, limit of detection and linear dynamic range. Results showed that sunscreens contained TiO 2 particles with an average size of ≤107 nm and also a minor number of ZnO particles sized ≤98 nm. The higher fraction of particles <100 nm was observed in sunscreens with SPF 50+ (ca. 80%); the lower percentage (12-35%) in sunscreens with lower SPF values. Also the higher TiO 2 (up to 24% weight) and ZnO (ca. 0.25% weight) concentrations were found in formulations of SPF 50+. Creamy sunscreens could be considered safe containing TiO 2 and ZnO NPs less than the maximum allowable concentration of 25% weight as set by the European legislation. On the contrary, spray products required additional considerations with regard to the potential inhalation of NPs. The developed methods can contribute to the actual demand for regulatory control and safety assessment of metallic NPs in consumers' products. Copyright © 2018 Elsevier B.V. All rights reserved.
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Alignment algorithms and per-particle CTF correction for single particle cryo-electron tomography.
Galaz-Montoya, Jesús G; Hecksel, Corey W; Baldwin, Philip R; Wang, Eryu; Weaver, Scott C; Schmid, Michael F; Ludtke, Steven J; Chiu, Wah
2016-06-01
Single particle cryo-electron tomography (cryoSPT) extracts features from cryo-electron tomograms, followed by 3D classification, alignment and averaging to generate improved 3D density maps of such features. Robust methods to correct for the contrast transfer function (CTF) of the electron microscope are necessary for cryoSPT to reach its resolution potential. Many factors can make CTF correction for cryoSPT challenging, such as lack of eucentricity of the specimen stage, inherent low dose per image, specimen charging, beam-induced specimen motions, and defocus gradients resulting both from specimen tilting and from unpredictable ice thickness variations. Current CTF correction methods for cryoET make at least one of the following assumptions: that the defocus at the center of the image is the same across the images of a tiltseries, that the particles all lie at the same Z-height in the embedding ice, and/or that the specimen, the cryo-electron microscopy (cryoEM) grid and/or the carbon support are flat. These experimental conditions are not always met. We have developed a CTF correction algorithm for cryoSPT without making any of the aforementioned assumptions. We also introduce speed and accuracy improvements and a higher degree of automation to the subtomogram averaging algorithms available in EMAN2. Using motion-corrected images of isolated virus particles as a benchmark specimen, recorded with a DE20 direct detection camera, we show that our CTF correction and subtomogram alignment routines can yield subtomogram averages close to 4/5 Nyquist frequency of the detector under our experimental conditions. Copyright © 2016 Elsevier Inc. All rights reserved.
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Gray, Evan P; Coleman, Jessica G; Bednar, Anthony J; Kennedy, Alan J; Ranville, James F; Higgins, Christopher P
2013-12-17
Expanded use of engineered nanoparticles (ENPs) in consumer products increases the potential for environmental release and unintended biological exposures. As a result, measurement techniques are needed to accurately quantify ENP size, mass, and particle number distributions in biological matrices. This work combines single particle inductively coupled plasma mass spectrometry (spICPMS) with tissue extraction to quantify and characterize metallic ENPs in environmentally relevant biological tissues for the first time. ENPs were extracted from tissues via alkaline digestion using tetramethylammonium hydroxide (TMAH). Method development was performed using ground beef and was verified in Daphnia magna and Lumbriculus variegatus . ENPs investigated include 100 and 60 nm Au and Ag stabilized by polyvynylpyrrolidone (PVP). Mass- and number-based recovery of spiked Au and Ag ENPs was high (83-121%) from all tissues tested. Additional experiments suggested ENP mixtures (60 and 100 nm Ag ENPs) could be extracted and quantitatively analyzed. Biological exposures were also conducted to verify the applicability of the method for aquatic organisms. Size distributions and particle number concentrations were determined for ENPs extracted from D. magna exposed to 98 μg/L 100 nm Au and 4.8 μg/L 100 nm Ag ENPs. The D. magna nanoparticulate body burden for Au ENP uptake was 613 ± 230 μg/kgww, while the measured nanoparticulate body burden for D. magna exposed to Ag ENPs was 59 ± 52 μg/kgww. Notably, the particle size distributions determined from D. magna tissues suggested minimal shifts in the size distributions of ENPs accumulated, as compared to the exposure media.
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Alignment Algorithms and Per-Particle CTF Correction for Single Particle Cryo-Electron Tomography
Galaz-Montoya, Jesús G.; Hecksel, Corey W.; Baldwin, Philip R.; Wang, Eryu; Weaver, Scott C.; Schmid, Michael F.; Ludtke, Steven J.; Chiu, Wah
2016-01-01
Single particle cryo-electron tomography (cryoSPT) extracts features from cryo-electron tomograms, followed by 3D classification, alignment and averaging to generate improved 3D density maps of such features. Robust methods to correct for the contrast transfer function (CTF) of the electron microscope are necessary for cryoSPT to reach its resolution potential. Many factors can make CTF correction for cryoSPT challenging, such as lack of eucentricity of the specimen stage, inherent low dose per image, specimen charging, beam-induced specimen motions, and defocus gradients resulting both from specimen tilting and from unpredictable ice thickness variations. Current CTF correction methods for cryoET make at least one of the following assumptions: that the defocus at the center of the image is the same across the images of a tiltseries, that the particles all lie at the same Z-height in the embedding ice, and/or that the specimen grid and carbon support are flat. These experimental conditions are not always met. We have developed a CTF correction algorithm for cryoSPT without making any of the aforementioned assumptions. We also introduce speed and accuracy improvements and a higher degree of automation to the subtomogram averaging algorithms available in EMAN2. Using motion-corrected images of isolated virus particles as a benchmark specimen, recorded with a DE20 direct detection camera, we show that our CTF correction and subtomogram alignment routines can yield subtomogram averages close to 4/5 Nyquist frequency of the detector under our experimental conditions. PMID:27016284
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NASA Astrophysics Data System (ADS)
Van Liedekerke, P.; Ghysels, P.; Tijskens, E.; Samaey, G.; Smeedts, B.; Roose, D.; Ramon, H.
2010-06-01
This paper is concerned with addressing how plant tissue mechanics is related to the micromechanics of cells. To this end, we propose a mesh-free particle method to simulate the mechanics of both individual plant cells (parenchyma) and cell aggregates in response to external stresses. The model considers two important features in the plant cell: (1) the cell protoplasm, the interior liquid phase inducing hydrodynamic phenomena, and (2) the cell wall material, a viscoelastic solid material that contains the protoplasm. In this particle framework, the cell fluid is modeled by smoothed particle hydrodynamics (SPH), a mesh-free method typically used to address problems with gas and fluid dynamics. In the solid phase (cell wall) on the other hand, the particles are connected by pairwise interactions holding them together and preventing the fluid to penetrate the cell wall. The cell wall hydraulic conductivity (permeability) is built in as well through the SPH formulation. Although this model is also meant to be able to deal with dynamic and even violent situations (leading to cell wall rupture or cell-cell debonding), we have concentrated on quasi-static conditions. The results of single-cell compression simulations show that the conclusions found by analytical models and experiments can be reproduced at least qualitatively. Relaxation tests revealed that plant cells have short relaxation times (1 µs-10 µs) compared to mammalian cells. Simulations performed on cell aggregates indicated an influence of the cellular organization to the tissue response, as was also observed in experiments done on tissues with a similar structure.
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Programmable colloidal molecules from sequential capillarity-assisted particle assembly
Ni, Songbo; Leemann, Jessica; Buttinoni, Ivo; Isa, Lucio; Wolf, Heiko
2016-01-01
The assembly of artificial nanostructured and microstructured materials which display structures and functionalities that mimic nature’s complexity requires building blocks with specific and directional interactions, analogous to those displayed at the molecular level. Despite remarkable progress in synthesizing “patchy” particles encoding anisotropic interactions, most current methods are restricted to integrating up to two compositional patches on a single “molecule” and to objects with simple shapes. Currently, decoupling functionality and shape to achieve full compositional and geometrical programmability remains an elusive task. We use sequential capillarity-assisted particle assembly which uniquely fulfills the demands described above. This is a new method based on simple, yet essential, adaptations to the well-known capillary assembly of particles over topographical templates. Tuning the depth of the assembly sites (traps) and the surface tension of moving droplets of colloidal suspensions enables controlled stepwise filling of traps to “synthesize” colloidal molecules. After deposition and mechanical linkage, the colloidal molecules can be dispersed in a solvent. The template’s shape solely controls the molecule’s geometry, whereas the filling sequence independently determines its composition. No specific surface chemistry is required, and multifunctional molecules with organic and inorganic moieties can be fabricated. We demonstrate the “synthesis” of a library of structures, ranging from dumbbells and triangles to units resembling bar codes, block copolymers, surfactants, and three-dimensional chiral objects. The full programmability of our approach opens up new directions not only for assembling and studying complex materials with single-particle-level control but also for fabricating new microscale devices for sensing, patterning, and delivery applications. PMID:27051882
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Anti-Brownian ELectrokinetic (ABEL) Trapping of Single High Density Lipoprotein (HDL) Particles
NASA Astrophysics Data System (ADS)
Bockenhauer, Samuel; Furstenberg, Alexandre; Wang, Quan; Devree, Brian; Jie Yao, Xiao; Bokoch, Michael; Kobilka, Brian; Sunahara, Roger; Moerner, W. E.
2010-03-01
The ABEL trap is a novel device for trapping single biomolecules in solution for extended observation. The trap estimates the position of a fluorescently-labeled object as small as ˜10 nm in solution and then applies a feedback electrokinetic drift every 20 us to trap the object by canceling its Brownian motion. We use the ABEL trap to study HDL particles at the single-copy level. HDL particles, essential in regulation of ``good'' cholesterol in humans, comprise a small (˜10 nm) lipid bilayer disc bounded by a belt of apolipoproteins. By engineering HDL particles with single fluorescent donor/acceptor probes and varying lipid compositions, we are working to study lipid diffusion on small length scales. We also use HDL particles as hosts for single transmembrane receptors, which should enable study of receptor conformational dynamics on long timescales.
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Kocbach, Anette; Li, Yanjun; Yttri, Karl E; Cassee, Flemming R; Schwarze, Per E; Namork, Ellen
2006-01-01
Background Exposure to ambient particulate matter has been associated with a number of adverse health effects. Particle characteristics such as size, surface area and chemistry seem to influence the negative effects of particles. In this study, combustion particles from vehicle exhaust and wood smoke, currently used in biological experiments, were analysed with respect to microstructure and chemistry. Methods Vehicle exhaust particles were collected in a road tunnel during two seasons, with and without use of studded tires, whereas wood smoke was collected from a stove with single-stage combustion. Additionally, a reference diesel sample (SRM 2975) was analysed. The samples were characterised using transmission electron microscopy techniques (TEM/HRTEM, EELS and SAED). Furthermore, the elemental and organic carbon fractions were quantified using thermal optical transmission analysis and the content of selected PAHs was determined by gas chromatography-mass spectrometry. Results Carbon aggregates, consisting of tens to thousands of spherical primary particles, were the only combustion particles identified in all samples using TEM. The tunnel samples also contained mineral particles originating from road abrasion. The geometric diameters of primary carbon particles from vehicle exhaust were found to be significantly smaller (24 ± 6 nm) than for wood smoke (31 ± 7 nm). Furthermore, HRTEM showed that primary particles from both sources exhibited a turbostratic microstructure, consisting of concentric carbon layers surrounding several nuclei in vehicle exhaust or a single nucleus in wood smoke. However, no differences were detected in the graphitic character of primary particles from the two sources using SAED and EELS. The total PAH content was higher for combustion particles from wood smoke as compared to vehicle exhaust, whereas no source difference was found for the ratio of organic to total carbon. Conclusion Combustion particles from vehicle exhaust and residential wood smoke differ in primary particle diameter, microstructure, and PAH content. Furthermore, the analysed samples seem suitable for assessing the influence of physicochemical characteristics of particles on biological responses. PMID:16390554
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Intensification of the Process of Flame Combustion of a Pulverized Coal Fuel
NASA Astrophysics Data System (ADS)
Popov, V. I.
2017-11-01
Consideration is given to a method of mechanoactivation intensification of the flame combustion of a pulverized coal fuel through the formation of a stressed state for the microstructure of its particles; the method is based on the use of the regularities of their external (diffusion) and internal (relaxation) kinetics. A study has been made of mechanoactivation nonequilibrium processes that occur in fuel particles during the induced relaxation of their stressed state with a resumed mobility of the microstructure of the particles and intensify diffusion-controlled chemical reactions in them under the assumption that the time of these reactions is much shorter than the times of mechanical action on a particle and of stress relaxation in it. The influence of the diffusion and relaxation factors on the burnup time of a fuel particle and on the flame distance has been analyzed. Ranges of variation in the parameters of flame combustion have been singled out in which the flame distance is determined by the mechanisms of combustion of the fuel and of mixing of combustion products.
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Chuang, Li-Yeh; Moi, Sin-Hua; Lin, Yu-Da; Yang, Cheng-Hong
2016-10-01
Evolutionary algorithms could overcome the computational limitations for the statistical evaluation of large datasets for high-order single nucleotide polymorphism (SNP) barcodes. Previous studies have proposed several chaotic particle swarm optimization (CPSO) methods to detect SNP barcodes for disease analysis (e.g., for breast cancer and chronic diseases). This work evaluated additional chaotic maps combined with the particle swarm optimization (PSO) method to detect SNP barcodes using a high-dimensional dataset. Nine chaotic maps were used to improve PSO method results and compared the searching ability amongst all CPSO methods. The XOR and ZZ disease models were used to compare all chaotic maps combined with PSO method. Efficacy evaluations of CPSO methods were based on statistical values from the chi-square test (χ 2 ). The results showed that chaotic maps could improve the searching ability of PSO method when population are trapped in the local optimum. The minor allele frequency (MAF) indicated that, amongst all CPSO methods, the numbers of SNPs, sample size, and the highest χ 2 value in all datasets were found in the Sinai chaotic map combined with PSO method. We used the simple linear regression results of the gbest values in all generations to compare the all methods. Sinai chaotic map combined with PSO method provided the highest β values (β≥0.32 in XOR disease model and β≥0.04 in ZZ disease model) and the significant p-value (p-value<0.001 in both the XOR and ZZ disease models). The Sinai chaotic map was found to effectively enhance the fitness values (χ 2 ) of PSO method, indicating that the Sinai chaotic map combined with PSO method is more effective at detecting potential SNP barcodes in both the XOR and ZZ disease models. Copyright © 2016 Elsevier B.V. All rights reserved.
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Pan, Wenxiao; Daily, Michael; Baker, Nathan A.
2015-05-07
Background: The calculation of diffusion-controlled ligand binding rates is important for understanding enzyme mechanisms as well as designing enzyme inhibitors. Methods: We demonstrate the accuracy and effectiveness of a Lagrangian particle-based method, smoothed particle hydrodynamics (SPH), to study diffusion in biomolecular systems by numerically solving the time-dependent Smoluchowski equation for continuum diffusion. Unlike previous studies, a reactive Robin boundary condition (BC), rather than the absolute absorbing (Dirichlet) BC, is considered on the reactive boundaries. This new BC treatment allows for the analysis of enzymes with “imperfect” reaction rates. Results: The numerical method is first verified in simple systems and thenmore » applied to the calculation of ligand binding to a mouse acetylcholinesterase (mAChE) monomer. Rates for inhibitor binding to mAChE are calculated at various ionic strengths and compared with experiment and other numerical methods. We find that imposition of the Robin BC improves agreement between calculated and experimental reaction rates. Conclusions: Although this initial application focuses on a single monomer system, our new method provides a framework to explore broader applications of SPH in larger-scale biomolecular complexes by taking advantage of its Lagrangian particle-based nature.« less
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Ground-state energies of simple metals
NASA Technical Reports Server (NTRS)
Hammerberg, J.; Ashcroft, N. W.
1974-01-01
A structural expansion for the static ground-state energy of a simple metal is derived. Two methods are presented, one an approach based on single-particle band structure which treats the electron gas as a nonlinear dielectric, the other a more general many-particle analysis using finite-temperature perturbation theory. The two methods are compared, and it is shown in detail how band-structure effects, Fermi-surface distortions, and chemical-potential shifts affect the total energy. These are of special interest in corrections to the total energy beyond third order in the electron-ion interaction and hence to systems where differences in energies for various crystal structures are exceptionally small. Preliminary calculations using these methods for the zero-temperature thermodynamic functions of atomic hydrogen are reported.
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NASA Astrophysics Data System (ADS)
Anjana, V.; John, Sara; Prakash, Pooja; Nair, Amritha M.; Nair, Aravind R.; Sambhudevan, Sreedha; Shankar, Balakrishnan
2018-02-01
Nickel ferrite nanoparticles with copper atoms as dopant have been prepared using co-precipitation method with general formula Ni1-xCuxFe2O4 (x=0.2, 0.4, 0.6, 0.8 and 1) and are sintered at quite ambient temperature. Structural and magnetic properties were examined using Fourier Transform Infrared Spectroscopy (FTIR), X-ray Diffraction method (XRD) and Vibrating Sample Magnetometer (VSM) to study the influence of copper doping in nickel ferrite magnetic nanoparticles. X-ray studies proves that the particles are possessing single phase spinel structure with an average particle size calculated using Debye Scherer formula. Magnetic measurements reveal that saturation magnetization value (Ms) decreases while magnetic coercivity (Hc) increases upon doping.
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Opto-electrochemical In Situ Monitoring of the Cathodic Formation of Single Cobalt Nanoparticles.
Brasiliense, Vitor; Clausmeyer, Jan; Dauphin, Alice L; Noël, Jean-Marc; Berto, Pascal; Tessier, Gilles; Schuhmann, Wolfgang; Kanoufi, Fréderic
2017-08-21
Single-particle electrochemistry at a nanoelectrode is explored by dark-field optical microscopy. The analysis of the scattered light allows in situ dynamic monitoring of the electrodeposition of single cobalt nanoparticles down to a radius of 65 nm. Larger sub-micrometer particles are directly sized optically by super-localization of the edges and the scattered light contains complementary information concerning the particle redox chemistry. This opto-electrochemical approach is used to derive mechanistic insights about electrocatalysis that are not accessible from single-particle electrochemistry. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
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Inverse Scattering and Local Observable Algebras in Integrable Quantum Field Theories
NASA Astrophysics Data System (ADS)
Alazzawi, Sabina; Lechner, Gandalf
2017-09-01
We present a solution method for the inverse scattering problem for integrable two-dimensional relativistic quantum field theories, specified in terms of a given massive single particle spectrum and a factorizing S-matrix. An arbitrary number of massive particles transforming under an arbitrary compact global gauge group is allowed, thereby generalizing previous constructions of scalar theories. The two-particle S-matrix S is assumed to be an analytic solution of the Yang-Baxter equation with standard properties, including unitarity, TCP invariance, and crossing symmetry. Using methods from operator algebras and complex analysis, we identify sufficient criteria on S that imply the solution of the inverse scattering problem. These conditions are shown to be satisfied in particular by so-called diagonal S-matrices, but presumably also in other cases such as the O( N)-invariant nonlinear {σ}-models.
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Particle acceleration at a reconnecting magnetic separator
NASA Astrophysics Data System (ADS)
Threlfall, J.; Neukirch, T.; Parnell, C. E.; Eradat Oskoui, S.
2015-02-01
Context. While the exact acceleration mechanism of energetic particles during solar flares is (as yet) unknown, magnetic reconnection plays a key role both in the release of stored magnetic energy of the solar corona and the magnetic restructuring during a flare. Recent work has shown that special field lines, called separators, are common sites of reconnection in 3D numerical experiments. To date, 3D separator reconnection sites have received little attention as particle accelerators. Aims: We investigate the effectiveness of separator reconnection as a particle acceleration mechanism for electrons and protons. Methods: We study the particle acceleration using a relativistic guiding-centre particle code in a time-dependent kinematic model of magnetic reconnection at a separator. Results: The effect upon particle behaviour of initial position, pitch angle, and initial kinetic energy are examined in detail, both for specific (single) particle examples and for large distributions of initial conditions. The separator reconnection model contains several free parameters, and we study the effect of changing these parameters upon particle acceleration, in particular in view of the final particle energy ranges that agree with observed energy spectra.
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Numerical investigation of compaction of deformable particles with bonded-particle model
NASA Astrophysics Data System (ADS)
Dosta, Maksym; Costa, Clara; Al-Qureshi, Hazim
2017-06-01
In this contribution, a novel approach developed for the microscale modelling of particles which undergo large deformations is presented. The proposed method is based on the bonded-particle model (BPM) and multi-stage strategy to adjust material and model parameters. By the BPM, modelled objects are represented as agglomerates which consist of smaller ideally spherical particles and are connected with cylindrical solid bonds. Each bond is considered as a separate object and in each time step the forces and moments acting in them are calculated. The developed approach has been applied to simulate the compaction of elastomeric rubber particles as single particles or in a random packing. To describe the complex mechanical behaviour of the particles, the solid bonds were modelled as ideally elastic beams. The functional parameters of solid bonds as well as material parameters of bonds and primary particles were estimated based on the experimental data for rubber spheres. Obtained results for acting force and for particle deformations during uniaxial compression are in good agreement with experimental data at higher strains.
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Zhu, Yu-Min; Zhang, Hua; Fan, Shi-Suo; Wang, Si-Jia; Xia, Yi; Shao, Li-Ming; He, Pin-Jing
2014-07-15
Due to the heterogeneity of metal distribution, it is challenging to identify the speciation, source and fate of metals in solid samples at micro scales. To overcome these challenges single particles of air pollution control residues were detected in situ by synchrotron microprobe after each step of chemical extraction and analyzed by multivariate statistical analysis. Results showed that Pb, Cu and Zn co-existed as acid soluble fractions during chemical extraction, regardless of their individual distribution as chlorides or oxides in the raw particles. Besides the forms of Fe2O3, MnO2 and FeCr2O4, Fe, Mn, Cr and Ni were closely associated with each other, mainly as reducible fractions. In addition, the two groups of metals had interrelations with the Si-containing insoluble matrix. The binding could not be directly detected by micro-X-ray diffraction (μ-XRD) and XRD, suggesting their partial existence as amorphous forms or in the solid solution. The combined method on single particles can effectively determine metallic multi-associations and various extraction behaviors that could not be identified by XRD, μ-XRD or X-ray absorption spectroscopy. The results are useful for further source identification and migration tracing of heavy metals. Copyright © 2014 Elsevier B.V. All rights reserved.
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Hall, Elise M; Thurow, Brian S; Guildenbecher, Daniel R
2016-08-10
Digital in-line holography (DIH) and plenoptic photography are two techniques for single-shot, volumetric measurement of 3D particle fields. Here we present a comparison of the two methods by applying plenoptic imaging to experimental configurations that have been previously investigated with DIH. These experiments include the tracking of secondary droplets from the impact of a water drop on a thin film of water and tracking of pellets from a shotgun. Both plenoptic imaging and DIH successfully quantify the 3D nature of these particle fields. This includes measurement of the 3D particle position, individual particle sizes, and three-component velocity vectors. For the initial processing methods presented here, both techniques give out-of-plane positional accuracy of approximately 1-2 particle diameters. For a fixed image sensor, digital holography achieves higher effective in-plane spatial resolutions. However, collimated and coherent illumination makes holography susceptible to image distortion through index of refraction gradients, as demonstrated in the shotgun experiments. In contrast, plenoptic imaging allows for a simpler experimental configuration and, due to the use of diffuse, white-light illumination, plenoptic imaging is less susceptible to image distortion in the shotgun experiments.
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Forest, E.; Hirata, Kohji
A methodological discussion is given for single particle beam dynamics in circular machines. The discussions are introductory, but (or, even therefore) we avoid to rely on too much simplified concepts. We treat things from a very general and fundamental point of view, because this is the easiest and rightest way to teach how to simulate particle motion and how to analyze its results. We give some principles of particle tracking free from theoretical prejudices. We also introduce some transparent methods to deduce the necessary information from the tracking: many of the traditional beam-dynamics concepts can be abstracted from them asmore » approximate quantities which are valid in certain limiting cases.« less
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Preparation of Ultraviolet Curing Type Silicone Rubbers Containing Mesoporous Silica Fillers.
Abdullah, Nawfel; Hossain, Md Shahriar A; Fatehmulla, Amanullah; Farooq, Wazirzada Aslam; Islam, Md Tofazzal; Miyamoto, Nobuyoshi; Bando, Yoshio; Kamachi, Yuichiro; Malgras, Victor; Yamauchi, Yusuke; Suzuki, Norihiro
2018-01-01
Here we have been focusing on mesoporous silica (MPS) as inorganic filler material to improve the mechanical strength of silicone rubbers. The MPS particles are more effective in reducing the coefficient of thermal expansion (CTE) and hardening silicone rubber composites when compared to commercially available nonporous silica particles. In this study, we utilize ultraviolet curing type silicone rubbers and prepare MPS composites according to a simple single-step method. From an industrial viewpoint, simplifying the fabrication processes is critical. The thermal stability and mechanical strength are examined in detail in order to showcase the effectiveness of MPS particles as filler materials.
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Enhancing the understanding of entropy through computation
NASA Astrophysics Data System (ADS)
Salagaram, Trisha; Chetty, Nithaya
2011-11-01
We devise an algorithm to enumerate the microstates of a system comprising N independent, distinguishable particles. The algorithm is applicable to a wide class of systems such as harmonic oscillators, free particles, spins, and other models for which there are no analytical solutions, for example, a system with single particle energy spectrum given by ɛ(p,q) = ɛ0(p2 + q4), where p and q are non-negative integers. Our algorithm enables us to determine the approach to the limit N → ∞ within the microcanonical ensemble, and makes manifest the equivalence with the canonical ensemble. Various thermodynamic quantities as a function of N can be computed using our methods.
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Simulation of collisional transport processes and the stability of planetary rings
NASA Technical Reports Server (NTRS)
Brophy, Thomas G.; Esposito, Larry W.
1989-01-01
The utility of the phase-space fluid method for the study of planetary ring dynamics is presently demonstrated through the numerical solution of a model kinetic equation for a flattened Keplerian disk. Attention is given to ringlets composed of single-sized particles, as well as to ringlets composed of two different-sized particles; in the latter case, the ringlets evolve in such a way that the lighter particles are confined by the heavier ones. The results obtained indicate that some natural process may sharpen the optical depth profile of edges even without an external forcing mechanism, and that intermediate optical depths are dynamically preferred in some cases.
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2004-06-01
sensitive to the effects of radiation, but are arranged in unique circuits that make their system sensitivity to the ef- fects of radiation less apparent...earth with particle radia- tion. The earth is protected from this particle radiation by its magnetosphere. [Refs. 9, 14] The core of the Earth is...en.wikipedia.org/wiki/Radiation], last accessed 06 April 04. 8. Messenger, G. S. and Ash, M. S., The Effects of Radiation on Electronic Systems , Van
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Comprehensive T-matrix Reference Database: A 2009-2011 Update
NASA Technical Reports Server (NTRS)
Zakharova, Nadezhda T.; Videen, G.; Khlebtsov, Nikolai G.
2012-01-01
The T-matrix method is one of the most versatile and efficient theoretical techniques widely used for the computation of electromagnetic scattering by single and composite particles, discrete random media, and particles in the vicinity of an interface separating two half-spaces with different refractive indices. This paper presents an update to the comprehensive database of peer-reviewed T-matrix publications compiled by us previously and includes the publications that appeared since 2009. It also lists several earlier publications not included in the original database.
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High throughput analysis of samples in flowing liquid
Ambrose, W. Patrick; Grace, W. Kevin; Goodwin, Peter M.; Jett, James H.; Orden, Alan Van; Keller, Richard A.
2001-01-01
Apparatus and method enable imaging multiple fluorescent sample particles in a single flow channel. A flow channel defines a flow direction for samples in a flow stream and has a viewing plane perpendicular to the flow direction. A laser beam is formed as a ribbon having a width effective to cover the viewing plane. Imaging optics are arranged to view the viewing plane to form an image of the fluorescent sample particles in the flow stream, and a camera records the image formed by the imaging optics.
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Yang, C; Jiang, W; Chen, D-H; Adiga, U; Ng, E G; Chiu, W
2009-03-01
The three-dimensional reconstruction of macromolecules from two-dimensional single-particle electron images requires determination and correction of the contrast transfer function (CTF) and envelope function. A computational algorithm based on constrained non-linear optimization is developed to estimate the essential parameters in the CTF and envelope function model simultaneously and automatically. The application of this estimation method is demonstrated with focal series images of amorphous carbon film as well as images of ice-embedded icosahedral virus particles suspended across holes.
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Yokohama, Noriya
2013-07-01
This report was aimed at structuring the design of architectures and studying performance measurement of a parallel computing environment using a Monte Carlo simulation for particle therapy using a high performance computing (HPC) instance within a public cloud-computing infrastructure. Performance measurements showed an approximately 28 times faster speed than seen with single-thread architecture, combined with improved stability. A study of methods of optimizing the system operations also indicated lower cost.
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Current Status of Single Particle Imaging with X-ray Lasers
Sun, Zhibin; Fan, Jiadong; Li, Haoyuan; ...
2018-01-22
The advent of ultrafast X-ray free-electron lasers (XFELs) opens the tantalizing possibility of the atomic-resolution imaging of reproducible objects such as viruses, nanoparticles, single molecules, clusters, and perhaps biological cells, achieving a resolution for single particle imaging better than a few tens of nanometers. Improving upon this is a significant challenge which has been the focus of a global single particle imaging (SPI) initiative launched in December 2014 at the Linac Coherent Light Source (LCLS), SLAC National Accelerator Laboratory, USA. A roadmap was outlined, and significant multi-disciplinary effort has since been devoted to work on the technical challenges of SPImore » such as radiation damage, beam characterization, beamline instrumentation and optics, sample preparation and delivery and algorithm development at multiple institutions involved in the SPI initiative. Currently, the SPI initiative has achieved 3D imaging of rice dwarf virus (RDV) and coliphage PR772 viruses at ~10 nm resolution by using soft X-ray FEL pulses at the Atomic Molecular and Optical (AMO) instrument of LCLS. Meanwhile, diffraction patterns with signal above noise up to the corner of the detector with a resolution of ~6 Ångström (Å) were also recorded with hard X-rays at the Coherent X-ray Imaging (CXI) instrument, also at LCLS. Achieving atomic resolution is truly a grand challenge and there is still a long way to go in light of recent developments in electron microscopy. However, the potential for studying dynamics at physiological conditions and capturing ultrafast biological, chemical and physical processes represents a tremendous potential application, attracting continued interest in pursuing further method development. In this paper, we give a brief introduction of SPI developments and look ahead to further method development.« less
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Current Status of Single Particle Imaging with X-ray Lasers
DOE Office of Scientific and Technical Information (OSTI.GOV)
Sun, Zhibin; Fan, Jiadong; Li, Haoyuan
The advent of ultrafast X-ray free-electron lasers (XFELs) opens the tantalizing possibility of the atomic-resolution imaging of reproducible objects such as viruses, nanoparticles, single molecules, clusters, and perhaps biological cells, achieving a resolution for single particle imaging better than a few tens of nanometers. Improving upon this is a significant challenge which has been the focus of a global single particle imaging (SPI) initiative launched in December 2014 at the Linac Coherent Light Source (LCLS), SLAC National Accelerator Laboratory, USA. A roadmap was outlined, and significant multi-disciplinary effort has since been devoted to work on the technical challenges of SPImore » such as radiation damage, beam characterization, beamline instrumentation and optics, sample preparation and delivery and algorithm development at multiple institutions involved in the SPI initiative. Currently, the SPI initiative has achieved 3D imaging of rice dwarf virus (RDV) and coliphage PR772 viruses at ~10 nm resolution by using soft X-ray FEL pulses at the Atomic Molecular and Optical (AMO) instrument of LCLS. Meanwhile, diffraction patterns with signal above noise up to the corner of the detector with a resolution of ~6 Ångström (Å) were also recorded with hard X-rays at the Coherent X-ray Imaging (CXI) instrument, also at LCLS. Achieving atomic resolution is truly a grand challenge and there is still a long way to go in light of recent developments in electron microscopy. However, the potential for studying dynamics at physiological conditions and capturing ultrafast biological, chemical and physical processes represents a tremendous potential application, attracting continued interest in pursuing further method development. In this paper, we give a brief introduction of SPI developments and look ahead to further method development.« less
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Aerosol hygroscopic growth parameterization based on a solute specific coefficient
NASA Astrophysics Data System (ADS)
Metzger, S.; Steil, B.; Xu, L.; Penner, J. E.; Lelieveld, J.
2011-09-01
Water is a main component of atmospheric aerosols and its amount depends on the particle chemical composition. We introduce a new parameterization for the aerosol hygroscopic growth factor (HGF), based on an empirical relation between water activity (aw) and solute molality (μs) through a single solute specific coefficient νi. Three main advantages are: (1) wide applicability, (2) simplicity and (3) analytical nature. (1) Our approach considers the Kelvin effect and covers ideal solutions at large relative humidity (RH), including CCN activation, as well as concentrated solutions with high ionic strength at low RH such as the relative humidity of deliquescence (RHD). (2) A single νi coefficient suffices to parameterize the HGF for a wide range of particle sizes, from nanometer nucleation mode to micrometer coarse mode particles. (3) In contrast to previous methods, our analytical aw parameterization depends not only on a linear correction factor for the solute molality, instead νi also appears in the exponent in form x · ax. According to our findings, νi can be assumed constant for the entire aw range (0-1). Thus, the νi based method is computationally efficient. In this work we focus on single solute solutions, where νi is pre-determined with the bisection method from our analytical equations using RHD measurements and the saturation molality μssat. The computed aerosol HGF and supersaturation (Köhler-theory) compare well with the results of the thermodynamic reference model E-AIM for the key compounds NaCl and (NH4)2SO4 relevant for CCN modeling and calibration studies. The equations introduced here provide the basis of our revised gas-liquid-solid partitioning model, i.e. version 4 of the EQuilibrium Simplified Aerosol Model (EQSAM4), described in a companion paper.
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Monte Carlo calculation of large and small-angle electron scattering in air
Cohen, B. I.; Higginson, D. P.; Eng, C. D.; ...
2017-08-12
A Monte Carlo method for angle scattering of electrons in air that accommodates the small-angle multiple scattering and larger-angle single scattering limits is introduced. In this work, the algorithm is designed for use in a particle-in-cell simulation of electron transport and electromagnetic wave effects in air. The method is illustrated in example calculations.
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Metal oxide-polymer composites
NASA Technical Reports Server (NTRS)
Wellinghoff, Stephen T. (Inventor)
1997-01-01
A method of making metal oxide clusters in a single stage by reacting a metal oxide with a substoichiometric amount of an acid in the presence of an oxide particle growth terminator and solubilizer. A method of making a ceramer is also disclosed in which the metal oxide clusters are reacted with a functionalized polymer. The resultant metal oxide clusters and ceramers are also disclosed.
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Metal oxide-polymer composites
NASA Technical Reports Server (NTRS)
Wellinghoff, Stephen T. (Inventor)
1994-01-01
A method of making metal oxide clusters in a single stage by reacting a metal oxide with a substoichiometric amount of an acid in the presence of an oxide particle growth terminator and solubilizer. A method of making a ceramer is also disclosed in which the metal oxide clusters are reacted with a functionalized polymer. The resultant metal oxide clusters and ceramers are also disclosed.
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Volumetric particle image velocimetry with a single plenoptic camera
NASA Astrophysics Data System (ADS)
Fahringer, Timothy W.; Lynch, Kyle P.; Thurow, Brian S.
2015-11-01
A novel three-dimensional (3D), three-component (3C) particle image velocimetry (PIV) technique based on volume illumination and light field imaging with a single plenoptic camera is described. A plenoptic camera uses a densely packed microlens array mounted near a high resolution image sensor to sample the spatial and angular distribution of light collected by the camera. The multiplicative algebraic reconstruction technique (MART) computed tomography algorithm is used to reconstruct a volumetric intensity field from individual snapshots and a cross-correlation algorithm is used to estimate the velocity field from a pair of reconstructed particle volumes. This work provides an introduction to the basic concepts of light field imaging with a plenoptic camera and describes the unique implementation of MART in the context of plenoptic image data for 3D/3C PIV measurements. Simulations of a plenoptic camera using geometric optics are used to generate synthetic plenoptic particle images, which are subsequently used to estimate the quality of particle volume reconstructions at various particle number densities. 3D reconstructions using this method produce reconstructed particles that are elongated by a factor of approximately 4 along the optical axis of the camera. A simulated 3D Gaussian vortex is used to test the capability of single camera plenoptic PIV to produce a 3D/3C vector field, where it was found that lateral displacements could be measured to approximately 0.2 voxel accuracy in the lateral direction and 1 voxel in the depth direction over a 300× 200× 200 voxel volume. The feasibility of the technique is demonstrated experimentally using a home-built plenoptic camera based on a 16-megapixel interline CCD camera and a 289× 193 array of microlenses and a pulsed Nd:YAG laser. 3D/3C measurements were performed in the wake of a low Reynolds number circular cylinder and compared with measurements made using a conventional 2D/2C PIV system. Overall, single camera plenoptic PIV is shown to be a viable 3D/3C velocimetry technique.
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Predicting performance of polymer-bonded Terfenol-D composites under different magnetic fields
NASA Astrophysics Data System (ADS)
Guan, Xinchun; Dong, Xufeng; Ou, Jinping
2009-09-01
Considering demagnetization effect, the model used to calculate the magnetostriction of the single particle under the applied field is first created. Based on Eshelby equivalent inclusion and Mori-Tanaka method, the approach to calculate the average magnetostriction of the composites under any applied field, as well as the saturation, is studied by treating the magnetostriction particulate as an eigenstrain. The results calculated by the approach indicate that saturation magnetostriction of magnetostrictive composites increases with an increase of particle aspect and particle volume fraction, and a decrease of Young's modulus of the matrix. The influence of an applied field on magnetostriction of the composites becomes more significant with larger particle volume fraction or particle aspect. Experiments were done to verify the effectiveness of the model, the results of which indicate that the model only can provide approximate results.
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Vectorization of a particle code used in the simulation of rarefied hypersonic flow
NASA Technical Reports Server (NTRS)
Baganoff, D.
1990-01-01
A limitation of the direct simulation Monte Carlo (DSMC) method is that it does not allow efficient use of vector architectures that predominate in current supercomputers. Consequently, the problems that can be handled are limited to those of one- and two-dimensional flows. This work focuses on a reformulation of the DSMC method with the objective of designing a procedure that is optimized to the vector architectures found on machines such as the Cray-2. In addition, it focuses on finding a better balance between algorithmic complexity and the total number of particles employed in a simulation so that the overall performance of a particle simulation scheme can be greatly improved. Simulations of the flow about a 3D blunt body are performed with 10 to the 7th particles and 4 x 10 to the 5th mesh cells. Good statistics are obtained with time averaging over 800 time steps using 4.5 h of Cray-2 single-processor CPU time.
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Dry-growth of silver single-crystal nanowires from porous Ag structure
DOE Office of Scientific and Technical Information (OSTI.GOV)
Chen, Chuantong, E-mail: chenchuantong@sanken.osaka-u.ac.jp; Nagao, Shijo; Jiu, Jinting
A fabrication method of single crystal Ag nanowires in large scale is introduced without any chemical synthesis in wet processes, which usually generates fivefold twinned nanowires of fcc metals. Dense single-crystal nanowires grow on a mechanically polished surface of micro-porous Ag structure, which is created from Ag micro-particles. The diameter and the length of the nanowires can be controlled simply by changing the temperature and the time of the heating during the nanowire growth in air. Unique growth mechanism is described in detail, based on stress-induced migration accelerated by the micro-porous structure where the origin of Ag nanowires growth ismore » incubated. Transmission electron microscopy analysis on the single crystal nanowires is also presented. This simple method offered an alternative preparation for metallic nanowires, especially with the single crystal structure in numerous applications.« less
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Zhang, Lei; Ren, Gang
2012-01-01
The dynamic personalities and structural heterogeneity of proteins are essential for proper functioning. Structural determination of dynamic/heterogeneous proteins is limited by conventional approaches of X-ray and electron microscopy (EM) of single-particle reconstruction that require an average from thousands to millions different molecules. Cryo-electron tomography (cryoET) is an approach to determine three-dimensional (3D) reconstruction of a single and unique biological object such as bacteria and cells, by imaging the object from a series of tilting angles. However, cconventional reconstruction methods use large-size whole-micrographs that are limited by reconstruction resolution (lower than 20 Å), especially for small and low-symmetric molecule (<400 kDa). In this study, we demonstrated the adverse effects from image distortion and the measuring tilt-errors (including tilt-axis and tilt-angle errors) both play a major role in limiting the reconstruction resolution. Therefore, we developed a “focused electron tomography reconstruction” (FETR) algorithm to improve the resolution by decreasing the reconstructing image size so that it contains only a single-instance protein. FETR can tolerate certain levels of image-distortion and measuring tilt-errors, and can also precisely determine the translational parameters via an iterative refinement process that contains a series of automatically generated dynamic filters and masks. To describe this method, a set of simulated cryoET images was employed; to validate this approach, the real experimental images from negative-staining and cryoET were used. Since this approach can obtain the structure of a single-instance molecule/particle, we named it individual-particle electron tomography (IPET) as a new robust strategy/approach that does not require a pre-given initial model, class averaging of multiple molecules or an extended ordered lattice, but can tolerate small tilt-errors for high-resolution single “snapshot” molecule structure determination. Thus, FETR/IPET provides a completely new opportunity for a single-molecule structure determination, and could be used to study the dynamic character and equilibrium fluctuation of macromolecules. PMID:22291925
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A new method for measuring lung deposition efficiency of airborne nanoparticles in a single breath
Jakobsson, Jonas K. F.; Hedlund, Johan; Kumlin, John; Wollmer, Per; Löndahl, Jakob
2016-01-01
Assessment of respiratory tract deposition of nanoparticles is a key link to understanding their health impacts. An instrument was developed to measure respiratory tract deposition of nanoparticles in a single breath. Monodisperse nanoparticles are generated, inhaled and sampled from a determined volumetric lung depth after a controlled residence time in the lung. The instrument was characterized for sensitivity to inter-subject variability, particle size (22, 50, 75 and 100 nm) and breath-holding time (3–20 s) in a group of seven healthy subjects. The measured particle recovery had an inter-subject variability 26–50 times larger than the measurement uncertainty and the results for various particle sizes and breath-holding times were in accordance with the theory for Brownian diffusion and values calculated from the Multiple-Path Particle Dosimetry model. The recovery was found to be determined by residence time and particle size, while respiratory flow-rate had minor importance in the studied range 1–10 L/s. The instrument will be used to investigate deposition of nanoparticles in patients with respiratory disease. The fast and precise measurement allows for both diagnostic applications, where the disease may be identified based on particle recovery, and for studies with controlled delivery of aerosol-based nanomedicine to specific regions of the lungs. PMID:27819335
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Zhou, Jingyu; Tian, Shulin; Yang, Chenglin
2014-01-01
Few researches pay attention to prediction about analog circuits. The few methods lack the correlation with circuit analysis during extracting and calculating features so that FI (fault indicator) calculation often lack rationality, thus affecting prognostic performance. To solve the above problem, this paper proposes a novel prediction method about single components of analog circuits based on complex field modeling. Aiming at the feature that faults of single components hold the largest number in analog circuits, the method starts with circuit structure, analyzes transfer function of circuits, and implements complex field modeling. Then, by an established parameter scanning model related to complex field, it analyzes the relationship between parameter variation and degeneration of single components in the model in order to obtain a more reasonable FI feature set via calculation. According to the obtained FI feature set, it establishes a novel model about degeneration trend of analog circuits' single components. At last, it uses particle filter (PF) to update parameters for the model and predicts remaining useful performance (RUP) of analog circuits' single components. Since calculation about the FI feature set is more reasonable, accuracy of prediction is improved to some extent. Finally, the foregoing conclusions are verified by experiments.
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Multiple Method Analysis of TiO2 Nanoparticle Uptake in Rice (Oryza sativa L.) Plants.
Deng, Yingqing; Petersen, Elijah J; Challis, Katie E; Rabb, Savelas A; Holbrook, R David; Ranville, James F; Nelson, Bryant C; Xing, Baoshan
2017-09-19
Understanding the translocation of nanoparticles (NPs) into plants is challenging because qualitative and quantitative methods are still being developed and the comparability of results among different methods is unclear. In this study, uptake of titanium dioxide NPs and larger bulk particles (BPs) in rice plant (Oryza sativa L.) tissues was evaluated using three orthogonal techniques: electron microscopy, single-particle inductively coupled plasma mass spectroscopy (spICP-MS) with two different plant digestion approaches, and total elemental analysis using ICP optical emission spectroscopy. In agreement with electron microscopy results, total elemental analysis of plants exposed to TiO 2 NPs and BPs at 5 and 50 mg/L concentrations revealed that TiO 2 NPs penetrated into the plant root and resulted in Ti accumulation in above ground tissues at a higher level compared to BPs. spICP-MS analyses revealed that the size distributions of internalized particles differed between the NPs and BPs with the NPs showing a distribution with smaller particles. Acid digestion resulted in higher particle numbers and the detection of a broader range of particle sizes than the enzymatic digestion approach, highlighting the need for development of robust plant digestion procedures for NP analysis. Overall, there was agreement among the three techniques regarding NP and BP penetration into rice plant roots and spICP-MS showed its unique contribution to provide size distribution information.
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Stochastic four-way coupling of gas-solid flows for Large Eddy Simulations
NASA Astrophysics Data System (ADS)
Curran, Thomas; Denner, Fabian; van Wachem, Berend
2017-11-01
The interaction of solid particles with turbulence has for long been a topic of interest for predicting the behavior of industrially relevant flows. For the turbulent fluid phase, Large Eddy Simulation (LES) methods are widely used for their low computational cost, leaving only the sub-grid scales (SGS) of turbulence to be modelled. Although LES has seen great success in predicting the behavior of turbulent single-phase flows, the development of LES for turbulent gas-solid flows is still in its infancy. This contribution aims at constructing a model to describe the four-way coupling of particles in an LES framework, by considering the role particles play in the transport of turbulent kinetic energy across the scales. Firstly, a stochastic model reconstructing the sub-grid velocities for the particle tracking is presented. Secondly, to solve particle-particle interaction, most models involve a deterministic treatment of the collisions. We finally introduce a stochastic model for estimating the collision probability. All results are validated against fully resolved DNS-DPS simulations. The final goal of this contribution is to propose a global stochastic method adapted to two-phase LES simulation where the number of particles considered can be significantly increased. Financial support from PetroBras is gratefully acknowledged.
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NASA Astrophysics Data System (ADS)
Al-Tabbakh, A. A. A.; Al-Zubaidi, A. B.; Kamarulzaman, N.
2016-03-01
A lithiated transition-metal oxide material was successfully synthesized by a combustion method for Li-ion battery. The material was characterized using thermogravimetric and particle size analyzers, scanning electron microscope and X-ray diffractometer. The calcined powders of the material exhibited a finite size distribution and a single phase of pure layered structure of space group Roverline{3} m . An innovative method was developed to calculate the material electrochemical capacity based on considerations of the crystal structure and contributions of Li ions from specified unit cells at the surfaces and in the interiors of the material particles. Results suggested that most of the Li ions contributing to the electrochemical current originated from the surface region of the material particles. It was possible to estimate the thickness of the most delithiated region near the particle surfaces at any delithiation depth accurately. Furthermore, results suggested that the core region of the particles remained electrochemically inaccessible in the conventional applied voltages. This result was justified by direct quantitative comparison of specific capacity values calculated from the particle size distribution with those measured experimentally. The present analysis is believed to be of some value for estimation of the failure mechanism in cathode compounds, thus assisting the development of Li-ion batteries.
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Custom-designed nanomaterial libraries for testing metal oxide toxicity
Pokhrel, Suman; Nel, André E.; Mädler, Lutz
2014-01-01
Conspectus Advances in aerosol technology over the past 10 years have provided methods that enable the generation and design of ultrafine nanoscale materials for different applications. The particles are produced combusting a precursor solution and its chemical reaction in the in the gas phase. Flame spray pyrolysis (FSP) is a highly versatile technique for single step and scalable synthesis of nanoscale materials. New innovations in particle synthesis using FSP technology and its precursor chemistry have enabled flexible dry synthesis of loosely-agglomerated highly crystalline ultrafine powders (porosity ≥ 90%) of binary, ternary and mixed binary or ternary oxides. The flame spray pyrolysis lies at the intersection of combustion science, aerosols technology and materials chemistry. The interdisciplinary research is not only inevitable but is becoming increasingly crucial in the design of nanoparticles (NPs) made in the gas phase. The increasing demand especially in the bio-applications for particles with specific material composition, high purity and crystallinity can be often fulfilled with the fast, single step FSP technique. PMID:23194152
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Liu, Yijin; Meirer, Florian; Krest, Courtney M.; ...
2016-08-30
To understand how hierarchically structured functional materials operate, analytical tools are needed that can reveal small structural and chemical details in large sample volumes. Often, a single method alone is not sufficient to get a complete picture of processes happening at multiple length scales. Here we present a correlative approach combining three-dimensional X-ray imaging techniques at different length scales for the analysis of metal poisoning of an individual catalyst particle. The correlative nature of the data allowed establishing a macro-pore network model that interprets metal accumulations as a resistance to mass transport and can, by tuning the effect of metalmore » deposition, simulate the response of the network to a virtual ageing of the catalyst particle. In conclusion, the developed approach is generally applicable and provides an unprecedented view on dynamic changes in a material’s pore space, which is an essential factor in the rational design of functional porous materials.« less
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On Characterizing Particle Shape
NASA Technical Reports Server (NTRS)
Ennis, Bryan J.; Rickman, Douglas; Rollins, A. Brent; Ennis, Brandon
2014-01-01
It is well known that particle shape affects flow characteristics of granular materials, as well as a variety of other solids processing issues such as compaction, rheology, filtration and other two-phase flow problems. The impact of shape crosses many diverse and commercially important applications, including pharmaceuticals, civil engineering, metallurgy, health, and food processing. Two applications studied here include the dry solids flow of lunar simulants (e.g. JSC-1, NU-LHT-2M, OB-1), and the flow properties of wet concrete, including final compressive strength. A multi-dimensional generalized, engineering method to quantitatively characterize particle shapes has been developed, applicable to both single particle orientation and multi-particle assemblies. The two-dimension, three dimension inversion problem is also treated, and the application of these methods to DEM model particles will be discussed. In the case of lunar simulants, flow properties of six lunar simulants have been measured, and the impact of particle shape on flowability - as characterized by the shape method developed here -- is discussed, especially in the context of three simulants of similar size range. In the context of concrete processing, concrete construction is a major contributor to greenhouse gas production, of which the major contributor is cement binding loading. Any optimization in concrete rheology and packing that can reduce cement loading and improve strength loading can also reduce currently required construction safety factors. The characterization approach here is also demonstrated for the impact of rock aggregate shape on concrete slump rheology and dry compressive strength.
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GraDeR: Membrane Protein Complex Preparation for Single-Particle Cryo-EM.
Hauer, Florian; Gerle, Christoph; Fischer, Niels; Oshima, Atsunori; Shinzawa-Itoh, Kyoko; Shimada, Satoru; Yokoyama, Ken; Fujiyoshi, Yoshinori; Stark, Holger
2015-09-01
We developed a method, named GraDeR, which substantially improves the preparation of membrane protein complexes for structure determination by single-particle cryo-electron microscopy (cryo-EM). In GraDeR, glycerol gradient centrifugation is used for the mild removal of free detergent monomers and micelles from lauryl maltose-neopentyl glycol detergent stabilized membrane complexes, resulting in monodisperse and stable complexes to which standard processes for water-soluble complexes can be applied. We demonstrate the applicability of the method on three different membrane complexes, including the mammalian FoF1 ATP synthase. For this highly dynamic and fragile rotary motor, we show that GraDeR allows visualizing the asymmetry of the F1 domain, which matches the ground state structure of the isolated domain. Therefore, the present cryo-EM structure of FoF1 ATP synthase provides direct structural evidence for Boyer's binding change mechanism in the context of the intact enzyme. Copyright © 2015 Elsevier Ltd. All rights reserved.
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Magnetic, hyperthermic and structural properties of zn substituted CaFe2O4 powders
NASA Astrophysics Data System (ADS)
Kheradmand, Abbas; Vahidi, Omid; Masoudpanah, S. M.
2018-03-01
In the present study, we have synthesized single phase Ca1 - x Zn x Fe2O4 powders by hydrothermal method. The cation distribution between the tetrahedral and octahedral sites in the spinel structure and the magnetic properties as a function of the zinc substitution have been investigated by X-ray diffraction (XRD), infrared spectroscopy and vibrating sample magnetometer methods. The obtained XRD pattern indicated that the synthesized particles had single phase cubic spinel structure with no impurity. The magnetic measurements showed that the saturation magnetization increased from 83 to 98 emu/g with the addition of zinc due to the decrease of inversity. The particle size observed by electron microscopy decreased from 1.38 to 0.97 µm with the increase of zinc addition. The Ca0.7Zn0.3Fe2O4 powders exhibited appropriate heating capability for hyperthermia applications with the maximum AC heating temperature of 20 °C and specific loss power of 9.29 W/g.
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Microchannel plate cross-talk mitigation for spatial autocorrelation measurements
NASA Astrophysics Data System (ADS)
Lipka, Michał; Parniak, Michał; Wasilewski, Wojciech
2018-05-01
Microchannel plates (MCP) are the basis for many spatially resolved single-particle detectors such as ICCD or I-sCMOS cameras employing image intensifiers (II), MCPs with delay-line anodes for the detection of cold gas particles or Cherenkov radiation detectors. However, the spatial characterization provided by an MCP is severely limited by cross-talk between its microchannels, rendering MCP and II ill-suited for autocorrelation measurements. Here, we present a cross-talk subtraction method experimentally exemplified for an I-sCMOS based measurement of pseudo-thermal light second-order intensity autocorrelation function at the single-photon level. The method merely requires a dark counts measurement for calibration. A reference cross-correlation measurement certifies the cross-talk subtraction. While remaining universal for MCP applications, the presented cross-talk subtraction, in particular, simplifies quantum optical setups. With the possibility of autocorrelation measurements, the signal needs no longer to be divided into two camera regions for a cross-correlation measurement, reducing the experimental setup complexity and increasing at least twofold the simultaneously employable camera sensor region.
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Structure of free radicals in irradiated acetyl-L-leucine single crystals at 77 K
DOE Office of Scientific and Technical Information (OSTI.GOV)
Almanov, G.A.; Bogdanchikov, G.A.; Usov, O.M.
1988-09-01
By using the EPR method, two types of radicals are observed, which are formed in acetyl-L-leucine single crystals irradiated at 77K. These are alkyl type radicals (CH/sub 3/)/sub 2/CCH/sub 2/CH(NHCOCH/sub 3/)COOH and peptide group radicals. When the crystals are defrozen to room temperatures, the radicals of the second type disappear without formation of paramagnetic particles. Two possible structures of the peptide group radicals were studied by the INDO method. On defreezing to room temperature, the alkyl group radical is retained, while the peptide radical disappears without formation of paramagnetic particles. For the protonated form of the anion-radical, a better agreementmore » is observed between the theoretically calculated and the experimentally obtained HFI constants. The quantum chemical analysis of the possible structures of the peptide group radicals indicates that the formation of the protonated form of the anion-radical is energetically favorable.« less
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Online single particle measurement of fireworks pollution during Chinese New Year in Nanning.
Li, Jingyan; Xu, Tingting; Lu, Xiaohui; Chen, Hong; Nizkorodov, Sergey A; Chen, Jianmin; Yang, Xin; Mo, Zhaoyu; Chen, Zhiming; Liu, Huilin; Mao, Jingying; Liang, Guiyun
2017-03-01
Time-resolved single-particle measurements were conducted during Chinese New Year in Nanning, China. Firework displays resulted in a burst of SO 2 , coarse mode, and accumulation mode (100-500nm) particles. Through single particle mass spectrometry analysis, five different types of particles (fireworks-metal, ash, dust, organic carbon-sulfate (OC-sulfate), biomass burning) with different size distributions were identified as primary emissions from firework displays. The fireworks-related particles accounted for more than 70% of the total analyzed particles during severe firework detonations. The formation of secondary particulate sulfate and nitrate during firework events was investigated on single particle level. An increase of sulfite peak (80SO 3 - ) followed by an increase of sulfate peaks (97HSO 4 - +96SO 4 - ) in the mass spectra during firework displays indicated the aqueous uptake and oxidation of SO 2 on particles. High concentration of gaseous SO 2 , high relative humidity and high particle loading likely promoted SO 2 oxidation. Secondary nitrate formed through gas-phase oxidation of NO 2 to nitric acid, followed by the condensation into particles as ammonium nitrate. This study shows that under worm, humid conditions, both primary and secondary aerosols contribute to the particulate air pollution during firework displays. Copyright © 2016. Published by Elsevier B.V.
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Zhang, Yaping; Wang, Xiaofei; Chen, Hong; Yang, Xin; Chen, Jianmin; Allen, Jonathan O
2009-01-01
Lead (Pb) in individual aerosol particles was measured using single particle aerosol mass spectrometer (ATOFMS) in the summer of 2007 in Shanghai, China. Pb was found in 3% of particles with diameters in the range 0.1-2.0 microm. Single particle data were analyzed focusing on the particles with high Pb content which were mostly submicron. Using the ART-2a neural network algorithm, these fine Pb-rich particles were classified into eight main classes by their mass spectral patterns. Based on the size distribution, temporal variation of number density, chemical composition and the correlation between different chemical species for each class, three major emission sources were identified. About 45% of the Pb-rich particles contained organic or elemental carbon and were attributed to the emission from coal combustion; particles with good correlation between Cl and Pb content were mostly attributed to waste incineration. One unique class of particles was identified by strong phosphate and Pb signals, which were assigned to emissions from phosphate industry. Other Pb-rich particles included aged sea salt and particles from metallurgical processes.
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Universality of Schmidt decomposition and particle identity
NASA Astrophysics Data System (ADS)
Sciara, Stefania; Lo Franco, Rosario; Compagno, Giuseppe
2017-03-01
Schmidt decomposition is a widely employed tool of quantum theory which plays a key role for distinguishable particles in scenarios such as entanglement characterization, theory of measurement and state purification. Yet, its formulation for identical particles remains controversial, jeopardizing its application to analyze general many-body quantum systems. Here we prove, using a newly developed approach, a universal Schmidt decomposition which allows faithful quantification of the physical entanglement due to the identity of particles. We find that it is affected by single-particle measurement localization and state overlap. We study paradigmatic two-particle systems where identical qubits and qutrits are located in the same place or in separated places. For the case of two qutrits in the same place, we show that their entanglement behavior, whose physical interpretation is given, differs from that obtained before by different methods. Our results are generalizable to multiparticle systems and open the way for further developments in quantum information processing exploiting particle identity as a resource.
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Universality of Schmidt decomposition and particle identity
Sciara, Stefania; Lo Franco, Rosario; Compagno, Giuseppe
2017-01-01
Schmidt decomposition is a widely employed tool of quantum theory which plays a key role for distinguishable particles in scenarios such as entanglement characterization, theory of measurement and state purification. Yet, its formulation for identical particles remains controversial, jeopardizing its application to analyze general many-body quantum systems. Here we prove, using a newly developed approach, a universal Schmidt decomposition which allows faithful quantification of the physical entanglement due to the identity of particles. We find that it is affected by single-particle measurement localization and state overlap. We study paradigmatic two-particle systems where identical qubits and qutrits are located in the same place or in separated places. For the case of two qutrits in the same place, we show that their entanglement behavior, whose physical interpretation is given, differs from that obtained before by different methods. Our results are generalizable to multiparticle systems and open the way for further developments in quantum information processing exploiting particle identity as a resource. PMID:28333163
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Universality of Schmidt decomposition and particle identity.
Sciara, Stefania; Lo Franco, Rosario; Compagno, Giuseppe
2017-03-23
Schmidt decomposition is a widely employed tool of quantum theory which plays a key role for distinguishable particles in scenarios such as entanglement characterization, theory of measurement and state purification. Yet, its formulation for identical particles remains controversial, jeopardizing its application to analyze general many-body quantum systems. Here we prove, using a newly developed approach, a universal Schmidt decomposition which allows faithful quantification of the physical entanglement due to the identity of particles. We find that it is affected by single-particle measurement localization and state overlap. We study paradigmatic two-particle systems where identical qubits and qutrits are located in the same place or in separated places. For the case of two qutrits in the same place, we show that their entanglement behavior, whose physical interpretation is given, differs from that obtained before by different methods. Our results are generalizable to multiparticle systems and open the way for further developments in quantum information processing exploiting particle identity as a resource.
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NASA Astrophysics Data System (ADS)
Roth, Steven; Oakes, Jessica; Shadden, Shawn
2015-11-01
Particle deposition in the human lungs can occur with every breathe. Airbourne particles can range from toxic constituents (e.g. tobacco smoke and air pollution) to aerosolized particles designed for drug treatment (e.g. insulin to treat diabetes). The effect of various realistic airway geometries on complex flow structures, and thus particle deposition sites, has yet to be extensively investigated using computational fluid dynamics (CFD). In this work, we created an image-based geometric airway model of the human lung and performed CFD simulations by employing multi-domain methods. Following the flow simulations, Lagrangian particle tracking was used to study the effect of cross-sectional shape on deposition sites in the conducting airways. From a single human lung model, the cross-sectional ellipticity (the ratio of major and minor diameters) of the left and right main bronchi was varied systematically from 2:1 to 1:1. The influence of the airway ellipticity on the surrounding flow field and particle deposition was determined.
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Novel Biobased Sodium Shellac for Wrapping Disperse Multiscale Emulsion Particles.
Luo, Qingming; Li, Kai; Xu, Juan; Li, Kun; Zheng, Hua; Liu, Lanxiang; Zhang, Hong; Sun, Yanlin
2016-12-14
As a result of amphipathic oligomers driven by different forces including hydrophobic interaction, electrostatic interaction, H-bond, and heat, multiscale emulsion particles can be wrapped. In this paper we attempted to use sodium shellac as a novel biobased wrapping material. The H + , Ca + , and spray-drying methods were employed to solidify the complex vitamin E (VE) emulsion with sodium shellac to fabricate the beads. The VE loading and encapsulation efficiency were used to evaluate the wrapping process. The results show that the microscale VE emulsion particles could easily be wrapped by these three means. However, due to the high solid content of the nanoscale emulsion particles, it was difficult to wrap them by spray-drying method. The beads solidified by H + had higher VE loading and encapsulation efficiency than those solidified by other methods and even grabbed the hydrophobic molecule VE from the emulsion micelles. At an R VS of 1:4, these two parameters, which are obtained by the nanoscale emulsion particle wrapping process, could reach 18.9 and 64.3% supported by the single driving force of hydrophobic interaction. Above all, this research introduced a novel wrapping material driven by different forces that can aggregate and wrap the emulsion micelles. It can be widely used in the medical, food, and cosmetics industries.
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NASA Astrophysics Data System (ADS)
Ma, Xiaoyu; Liu, Yongjia; Zhu, Bangshang
2018-02-01
Strontium shows an increasing interest on bone formation and bone resorption prevention. Here, pure apatite strontium (Ap-SrOH) [Sr5(PO4)3(OH), strontium hydroxyapatite] particles were prepared by the precipitation method using Sr(NO3)2 · 6H2O and (NH4)2HPO4 as reagents. Scanning electron microscope, transmission electron microscope combined with electron diffraction, X-ray diffraction, Fourier transform infrared spectra (FTIR), variable temperature FTIR and thermo gravimetric analysis were employed to evaluate the crystalline structure, chemical composition, and thermal stability of the Ap-SrOH particles. The results show that phase pure Ap-SrOH particles were prepared by wet precipitation. The obtained Ap-SrOH particles are single crystal in phase structure, they have hexagonal fusiform shape, and their size is about 30-180 nm in diameter, and 0.4-2.5 μm in length. The cell MTT assay evaluations indicate that Ap-SrOH particles have very low cytotoxicity. Furthermore, nanoporous Ap-SrOH scaffolds were synthesized by anhydrous dextrose template method. After mixed 5-10 wt% of anhydrous dextrose with Ap-SrOH particles, pressed into discs, and sintered in microwave muffle furnace at 600 °C, the scaffolds with both nanoporous and nanotopography were formed. Cell culture of MC3T3-E1 osteoblasts in vitro show cells grow well on nanoporous Ap-SrOH scaffold. Therefore, Ap-SrOH particles and their nanoporous scaffolds are promising biomaterials for bone repairing and bone disease (e.g. osteoporosis) healing.
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A New Method to Obtain the Black Carbon Mixing State of Biomass and Combustion Aerosols
NASA Astrophysics Data System (ADS)
Irwin, M.; Liu, D.; Joshi, R.; Allan, J. D.; Coe, H.; Flynn, M.; Olfert, J. S.; Broda, K.; Fu, P.; Sun, Y.; Ge, X.; Wang, J.
2017-12-01
Black carbon particles (BC) significantly contribute to warming effects in the atmosphere, altering weather systems, and pose significant health risks. These impacts are especially efficient at regional hotspots with high emissions of pollutants, such as in fast-developing megacities. These urban environments have the most population exposure, and improving the understanding of the sources and the processing of pollutants in these environments is critical in guiding policy making. Here we present the results of BC characterization in Beijing during the winter of 2016 (10th Nov-10th Dec), as part of a large joint UK-China field experiment. During this experiment, we successfully gathered 4 weeks of continuous measurements, including several severe pollution events in Beijing. MethodologyThe mixing state of BC, which is how BC is associated with non-BC material (its coating) within a particle, is crucial to determine its lifetime in the atmosphere and also its optical properties. However precisely quantifying the BC mixing state has posed a challenge, in part due to complex particle morphology. We have applied morphology-independent measurements of BC mixing state on a single-particle basis throughout this experiment: mono-dispersed particle mass (MP) is selected using a Centrifugal Particle Mass Analyser (CPMA, Cambustion Ltd) and a single particle soot photometer (SP2, DMT inc.) was used downstream of the CPMA to measure the refractory BC mass (MrBC). The full scan of CPMA masses (21 mass bins covering most of MP) are performed every half hour, following polydispersed particles measured without running CPMA.
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Complete particle-pair annihilation as a dynamical signature of the spectral singularity
DOE Office of Scientific and Technical Information (OSTI.GOV)
Li, G.R.; Zhang, X.Z.; Song, Z., E-mail: nkquantum@gmail.com
2014-10-15
Motivated by the physical relevance of a spectral singularity of interacting many-particle system, we explore the dynamics of two bosons as well as fermions in one-dimensional system with imaginary delta interaction strength. Based on the exact solution, it shows that the two-particle collision leads to amplitude-reduction of the wave function. For fermion pair, the amplitude-reduction depends on the spin configuration of two particles. In both cases, the residual amplitude can vanish when the relative group velocity of two single-particle Gaussian wave packets with equal width reaches the magnitude of the interaction strength, exhibiting complete particle-pair annihilation at the spectral singularity.more » - Highlights: • We investigate the physical relevance of a spectral singularity. • The two-particle collision leads to amplitude-reduction of the wave function. • There is a singularity spectrum which leads to complete particle-pair annihilation. • Complete particle-pair annihilation can only occur for two distinguishable bosons and singlet fermions. • Pair annihilation provides a detection method of the spectral singularity in the experiment.« less
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Vutukuri, Hanumantha Rao; Imhof, Arnout; van Blaaderen, Alfons
2014-01-01
Particle shape is a critical parameter that plays an important role in self-assembly, for example, in designing targeted complex structures with desired properties. Over the last decades, an unprecedented range of monodisperse nanoparticle systems with control over the shape of the particles have become available. In contrast, the choice of micrometer-sized colloidal building blocks of particles with flat facets, that is, particles with polygonal shapes, is significantly more limited. This can be attributed to the fact that in contrast to nanoparticles, the larger colloids are significantly harder to synthesize as single crystals. It is now shown that a very simple building block, such as a micrometer-sized polymeric spherical colloidal particle, is already enough to fabricate particles with regularly placed flat facets, including completely polygonal shapes with sharp edges. As an illustration that the yields are high enough for further self-assembly studies, the formation of three-dimensional rotator phases of fluorescently labelled, micrometer-sized, and charged rhombic dodecahedron particles was demonstrated. This method for fabricating polyhedral particles opens a new avenue for designing new materials. PMID:25366869
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An automatic, stagnation point based algorithm for the delineation of Wellhead Protection Areas
NASA Astrophysics Data System (ADS)
Tosco, Tiziana; Sethi, Rajandrea; di Molfetta, Antonio
2008-07-01
Time-related capture areas are usually delineated using the backward particle tracking method, releasing circles of equally spaced particles around each well. In this way, an accurate delineation often requires both a very high number of particles and a manual capture zone encirclement. The aim of this work was to propose an Automatic Protection Area (APA) delineation algorithm, which can be coupled with any model of flow and particle tracking. The computational time is here reduced, thanks to the use of a limited number of nonequally spaced particles. The particle starting positions are determined coupling forward particle tracking from the stagnation point, and backward particle tracking from the pumping well. The pathlines are postprocessed for a completely automatic delineation of closed perimeters of time-related capture zones. The APA algorithm was tested for a two-dimensional geometry, in homogeneous and nonhomogeneous aquifers, steady state flow conditions, single and multiple wells. Results show that the APA algorithm is robust and able to automatically and accurately reconstruct protection areas with a very small number of particles, also in complex scenarios.
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Impact of agglomeration state of nano- and submicron sized gold particles on pulmonary inflammation
2010-01-01
Background Nanoparticle (NP) toxicity testing comes with many challenges. Characterization of the test substance is of crucial importance and in the case of NPs, agglomeration/aggregation state in physiological media needs to be considered. In this study, we have addressed the effect of agglomerated versus single particle suspensions of nano- and submicron sized gold on the inflammatory response in the lung. Rats were exposed to a single dose of 1.6 mg/kg body weight (bw) of spherical gold particles with geometric diameters of 50 nm or 250 nm diluted either by ultrapure water or by adding phosphate buffered saline (PBS). A single dose of 1.6 mg/kg bw DQ12 quartz was used as a positive control for pulmonary inflammation. Extensive characterization of the particle suspensions has been performed by determining the zetapotential, pH, gold concentration and particle size distribution. Primary particle size and particle purity has been verified using transmission electron microscopy (TEM) techniques. Pulmonary inflammation (total cell number, differential cell count and pro-inflammatory cytokines), cell damage (total protein and albumin) and cytotoxicity (alkaline phosphatase and lactate dehydrogenase) were determined in bronchoalveolar lavage fluid (BALF) and acute systemic effects in blood (total cell number, differential cell counts, fibrinogen and C-reactive protein) 3 and 24 hours post exposure. Uptake of gold particles in alveolar macrophages has been determined by TEM. Results Particles diluted in ultrapure water are well dispersed, while agglomerates are formed when diluting in PBS. The particle size of the 50 nm particles was confirmed, while the 250 nm particles appear to be 200 nm using tracking analysis and 210 nm using TEM. No major differences in pulmonary and systemic toxicity markers were observed after instillation of agglomerated versus single gold particles of different sizes. Both agglomerated as well as single nanoparticles were taken up by macrophages. Conclusion Primary particle size, gold concentration and particle purity are important features to check, since these characteristics may deviate from the manufacturer's description. Suspensions of well dispersed 50 nm and 250 nm particles as well as their agglomerates produced very mild pulmonary inflammation at the same mass based dose. We conclude that single 50 nm gold particles do not pose a greater acute hazard than their agglomerates or slightly larger gold particles when using pulmonary inflammation as a marker for toxicity. PMID:21126342
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Interferometric Scattering Microscopy for the Study of Molecular Motors
Andrecka, J.; Takagi, Y.; Mickolajczyk, K.J.; Lippert, L.G.; Sellers, J.R.; Hancock, W.O.; Goldman, Y.E.; Kukura, P.
2016-01-01
Our understanding of molecular motor function has been greatly improved by the development of imaging modalities, which enable real-time observation of their motion at the single-molecule level. Here, we describe the use of a new method, interferometric scattering microscopy, for the investigation of motor protein dynamics by attaching and tracking the motion of metallic nanoparticle labels as small as 20 nm diameter. Using myosin-5, kinesin-1, and dynein as examples, we describe the basic assays, labeling strategies, and principles of data analysis. Our approach is relevant not only for motor protein dynamics but also provides a general tool for single-particle tracking with high spatiotemporal precision, which overcomes the limitations of single-molecule fluorescence methods. PMID:27793291
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DOE Office of Scientific and Technical Information (OSTI.GOV)
Khodaei, Azin, E-mail: Azin.Khodaei@gmail.com; Hasannasab, Malihe; Amousoltani, Narges
2016-02-15
Highlights: • Ni ultrafine/nanoparticles were produced using the single-step ELGC method. • Ar and He–20%Ar gas mixtures were used as the condensing gas under 1 atm. • Effects of gas type and flow rate on particle size distribution were investigated. • The nanoparticles showed both high saturation magnetization and low coercivity. - Abstract: In this work, Ni ultrafine/nanoparticles were directly produced using the one-step, relatively large-scale electromagnetic levitational gas condensation method. In this process, Ni vapors ascending from the levitated droplet were condensed by Ar and He–20%Ar gas mixtures under atmospheric pressure. Effects of type and flow rate of themore » condensing gas on the size, size distribution and crystallinity of Ni particles were investigated. The particles were characterized by scanning electron microscopy, X-ray diffraction and vibrating sample magnetometer (VSM). The process parameters for the synthesis of the crystalline Ni ultrafine/nanoparticles were determined.« less
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Fumière, O; Marien, A; Fernández Pierna, J A; Baeten, V; Berben, G
2010-08-01
At present, European legislation prohibits totally the use of processed animal proteins in feed for all farmed animals (Commission Regulation (EC) No. 1234/2003-extended feed ban). A softening of the feed ban for non-ruminants would nevertheless be considered if alternative methods could be used to gain more information concerning the species origin of processed animal proteins than that which can be provided by classical optical microscopy. This would allow control provisions such as the ban of feeding animals with proteins from the same species or intra-species recycling (Regulation (EC) No. 1774/2002). Two promising alternative methods, near-infrared microscopy (NIRM) and real-time polymerase chain reaction (PCR), were combined to authenticate, at the species level, the presence of animal particles. The paper describes the improvements of the real-time PCR method made to the DNA extraction protocol, allowing five PCR analyses to be performed with the DNA extracted from a single particle.