Solution Structure of an Intramembrane Aspartyl Protease via Small Angle Neutron Scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Naing, Swe-Htet; Oliver, Ryan C.; Weiss, Kevin L.

Intramembrane aspartyl proteases (IAPs) comprise one of four families of integral membrane proteases that hydrolyze substrates within the hydrophobic lipid bilayer. IAPs include signal peptide peptidase, which processes remnant signal peptides from nascent polypeptides in the endoplasmic reticulum, and presenilin, the catalytic component of the γ-secretase complex that processes Notch and amyloid precursor protein. Despite their broad biomedical reach, basic structure-function relationships of IAPs remain active areas of research. Characterization of membrane-bound proteins is notoriously challenging due to their inherently hydrophobic character. For IAPs, oligomerization state in solution is one outstanding question, with previous proposals for monomer, dimer, tetramer, andmore » octamer. Here we used small angle neutron scattering (SANS) to characterize n-dodecyl-β-D-maltopyranoside (DDM) detergent solutions containing and absent a microbial IAP ortholog. A unique feature of SANS is the ability to modulate the solvent composition to mask all but the enzyme of interest. The signal from the IAP was enhanced by deuteration and, uniquely, scattering from DDM and buffers were matched by the use of both tail-deuterated DDM and D 2O. The radius of gyration calculated for IAP and the corresponding ab initio consensus model are consistent with a monomer. The model is slightly smaller than the crystallographic IAP monomer, suggesting a more compact protein in solution compared with the crystal lattice. In conclusion, our study provides direct insight into the oligomeric state of purified IAP in surfactant solution, and demonstrates the utility of fully contrast-matching the detergent in SANS to characterize other intramembrane proteases and their membrane-bound substrates.« less

Solution Structure of an Intramembrane Aspartyl Protease via Small Angle Neutron Scattering

DOE PAGES

Naing, Swe-Htet; Oliver, Ryan C.; Weiss, Kevin L.; ...

2018-02-06

Intramembrane aspartyl proteases (IAPs) comprise one of four families of integral membrane proteases that hydrolyze substrates within the hydrophobic lipid bilayer. IAPs include signal peptide peptidase, which processes remnant signal peptides from nascent polypeptides in the endoplasmic reticulum, and presenilin, the catalytic component of the γ-secretase complex that processes Notch and amyloid precursor protein. Despite their broad biomedical reach, basic structure-function relationships of IAPs remain active areas of research. Characterization of membrane-bound proteins is notoriously challenging due to their inherently hydrophobic character. For IAPs, oligomerization state in solution is one outstanding question, with previous proposals for monomer, dimer, tetramer, andmore » octamer. Here we used small angle neutron scattering (SANS) to characterize n-dodecyl-β-D-maltopyranoside (DDM) detergent solutions containing and absent a microbial IAP ortholog. A unique feature of SANS is the ability to modulate the solvent composition to mask all but the enzyme of interest. The signal from the IAP was enhanced by deuteration and, uniquely, scattering from DDM and buffers were matched by the use of both tail-deuterated DDM and D 2O. The radius of gyration calculated for IAP and the corresponding ab initio consensus model are consistent with a monomer. The model is slightly smaller than the crystallographic IAP monomer, suggesting a more compact protein in solution compared with the crystal lattice. In conclusion, our study provides direct insight into the oligomeric state of purified IAP in surfactant solution, and demonstrates the utility of fully contrast-matching the detergent in SANS to characterize other intramembrane proteases and their membrane-bound substrates.« less

New Basis Functions for the Electromagnetic Solution of Arbitrarily-shaped, Three Dimensional Conducting Bodies Using Method of Moments

NASA Technical Reports Server (NTRS)

Mackenzie, Anne I.; Baginski, Michael E.; Rao, Sadasiva M.

2007-01-01

In this work, we present a new set of basis functions, de ned over a pair of planar triangular patches, for the solution of electromagnetic scattering and radiation problems associated with arbitrarily-shaped surfaces using the method of moments solution procedure. The basis functions are constant over the function subdomain and resemble pulse functions for one and two dimensional problems. Further, another set of basis functions, point-wise orthogonal to the first set, is also de ned over the same function space. The primary objective of developing these basis functions is to utilize them for the electromagnetic solution involving conducting, dielectric, and composite bodies. However, in the present work, only the conducting body solution is presented and compared with other data.

New Basis Functions for the Electromagnetic Solution of Arbitrarily-shaped, Three Dimensional Conducting Bodies using Method of Moments

NASA Technical Reports Server (NTRS)

Mackenzie, Anne I.; Baginski, Michael E.; Rao, Sadasiva M.

2008-01-01

In this work, we present a new set of basis functions, defined over a pair of planar triangular patches, for the solution of electromagnetic scattering and radiation problems associated with arbitrarily-shaped surfaces using the method of moments solution procedure. The basis functions are constant over the function subdomain and resemble pulse functions for one and two dimensional problems. Further, another set of basis functions, point-wise orthogonal to the first set, is also defined over the same function space. The primary objective of developing these basis functions is to utilize them for the electromagnetic solution involving conducting, dielectric, and composite bodies. However, in the present work, only the conducting body solution is presented and compared with other data.

An Alternate Set of Basis Functions for the Electromagnetic Solution of Arbitrarily-Shaped, Three-Dimensional, Closed, Conducting Bodies Using Method of Moments

NASA Technical Reports Server (NTRS)

Mackenzie, Anne I.; Baginski, Michael E.; Rao, Sadasiva M.

2008-01-01

In this work, we present an alternate set of basis functions, each defined over a pair of planar triangular patches, for the method of moments solution of electromagnetic scattering and radiation problems associated with arbitrarily-shaped, closed, conducting surfaces. The present basis functions are point-wise orthogonal to the pulse basis functions previously defined. The prime motivation to develop the present set of basis functions is to utilize them for the electromagnetic solution of dielectric bodies using a surface integral equation formulation which involves both electric and magnetic cur- rents. However, in the present work, only the conducting body solution is presented and compared with other data.

A biophysical study of clathrin utilizing light scattering, neutron scattering and structure based computer modeling

NASA Astrophysics Data System (ADS)

Ferguson, Matthew Lee

A principal component in the protein coats of certain post-golgi and endocytic vesicles is clathrin, which appears as a three-legged heteropolymer (known as a triskelion) that assembles into polyhedral baskets principally made up of pentagonal and hexagonal faces. In vitro, this assembly depends on the pH, with baskets forming more readily at low pH and less readily at high pH. We have developed procedures, based on static and dynamic light scattering, to determine the radius of gyration, Rg, and hydrodynamic radius, RH, of isolated triskelia under conditions where basket assembly occurs. Calculations based on rigid molecular bead models of a triskelion show that the measured values can be accounted for by bending of the legs and a puckering at the vertex. We also show that the values of Rg and R H measured for clathrin triskelia in solution are qualitatively consistent with the conformation of an individual triskelion that is part of a "D6 barrel" basket assembly measured by cryo-EM tomography. We extended this study by performing small angle neutron scattering (SANS) experiments on isolated triskelia in solution under conditions where baskets do not assemble. SANS experiments were consistent with previous static light scattering experiments but showed a shoulder in the scattering function at intermediate q-values just beyond the central diffraction peak (the Guinier regime). Theoretical calculations based on rigid bead models of a triskelion showed well-defined features in this region different from the experiment. A flexible bead-spring model of a triskelion and Brownian dynamics simulations were used to generate a time averaged scattering function. This model adequately described the experimental data for flexibilities close to previous estimates from the analysis of electron micrographs.

Modeling Structure and Dynamics of Protein Complexes with SAXS Profiles

PubMed Central

Schneidman-Duhovny, Dina; Hammel, Michal

2018-01-01

Small-angle X-ray scattering (SAXS) is an increasingly common and useful technique for structural characterization of molecules in solution. A SAXS experiment determines the scattering intensity of a molecule as a function of spatial frequency, termed SAXS profile. SAXS profiles can be utilized in a variety of molecular modeling applications, such as comparing solution and crystal structures, structural characterization of flexible proteins, assembly of multi-protein complexes, and modeling of missing regions in the high-resolution structure. Here, we describe protocols for modeling atomic structures based on SAXS profiles. The first protocol is for comparing solution and crystal structures including modeling of missing regions and determination of the oligomeric state. The second protocol performs multi-state modeling by finding a set of conformations and their weights that fit the SAXS profile starting from a single-input structure. The third protocol is for protein-protein docking based on the SAXS profile of the complex. We describe the underlying software, followed by demonstrating their application on interleukin 33 (IL33) with its primary receptor ST2 and DNA ligase IV-XRCC4 complex. PMID:29605933

Hanging drop crystal growth apparatus

NASA Technical Reports Server (NTRS)

Naumann, Robert J. (Inventor); Witherow, William K. (Inventor); Carter, Daniel C. (Inventor); Bugg, Charles E. (Inventor); Suddath, Fred L. (Inventor)

1990-01-01

This invention relates generally to control systems for controlling crystal growth, and more particularly to such a system which uses a beam of light refracted by the fluid in which crystals are growing to detect concentration of solutes in the liquid. In a hanging drop apparatus, a laser beam is directed onto drop which refracts the laser light into primary and secondary bows, respectively, which in turn fall upon linear diode detector arrays. As concentration of solutes in drop increases due to solvent removal, these bows move farther apart on the arrays, with the relative separation being detected by arrays and used by a computer to adjust solvent vapor transport from the drop. A forward scattering detector is used to detect crystal nucleation in drop, and a humidity detector is used, in one embodiment, to detect relative humidity in the enclosure wherein drop is suspended. The novelty of this invention lies in utilizing angular variance of light refracted from drop to infer, by a computer algorithm, concentration of solutes therein. Additional novelty is believed to lie in using a forward scattering detector to detect nucleating crystallites in drop.

Development of new techniques for the characterization of crystals and their growth solutions: Center director's discretionary fund

NASA Technical Reports Server (NTRS)

Kroes, Roger L.; Reiss, Donald A.

1989-01-01

The solubility measurement system and the laser scattering microscope system were designed, built, and utilized for the study of crystal growth solutions and crystal characterization measurements. Solubility measurements and crystal defect maps were made with this equipment for a number of new materials. In some cases, where there have been published solubility data (i.e., TGS), more accurate measurements were made and discrepancies in the published data were resolved. The design of these instruments is presented along with a description of their use and some typical data generated using them.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hegde, Raghurama P.; Fedorov, Alexander A.; Sauder, J. Michael

Single-wavelength anomalous dispersion (SAD) utilizing anomalous signal from native S atoms, or other atoms withZ≤ 20, generally requires highly redundant data collected using relatively long-wavelength X-rays. Here, the results from two proteins are presented where the anomalous signal from serendipitously acquired surface-bound Ca atoms with an anomalous data multiplicity of around 10 was utilized to drivede novostructure determination. In both cases, the Ca atoms were acquired from the crystallization solution, and the data-collection strategy was not optimized to exploit the anomalous signal from these scatterers. The X-ray data were collected at 0.98 Å wavelength in one case and at 1.74more » Å in the other (the wavelength was optimized for sulfur, but the anomalous signal from calcium was exploited for structure solution). Similarly, using a test case, it is shown that data collected at ~1.0 Å wavelength, where thef'' value for sulfur is 0.28 e, are sufficient for structure determination using intrinsic S atoms from a strongly diffracting crystal. Interestingly, it was also observed thatSHELXDwas capable of generating a substructure solution from high-exposure data with a completeness of 70% for low-resolution reflections extending to 3.5 Å resolution with relatively low anomalous multiplicity. Considering the fact that many crystallization conditions contain anomalous scatterers such as Cl, Ca, Mnetc., checking for the presence of fortuitous anomalous signal in data from well diffracting crystals could prove useful in either determining the structurede novoor in accurately assigning surface-bound atoms.« less

Comparison of finite source and plane wave scattering from corrugated surfaces

NASA Technical Reports Server (NTRS)

Levine, D. M.

1977-01-01

The choice of a plane wave to represent incident radiation in the analysis of scatter from corrugated surfaces was examined. The physical optics solution obtained for the scattered fields due to an incident plane wave was compared with the solution obtained when the incident radiation is produced by a source of finite size and finite distance from the surface. The two solutions are equivalent if the observer is in the far field of the scatterer and the distance from observer to scatterer is large compared to the radius of curvature at the scatter points, condition not easily satisfied with extended scatterers such as rough surfaces. In general, the two solutions have essential differences such as in the location of the scatter points and the dependence of the scattered fields on the surface properties. The implication of these differences to the definition of a meaningful radar cross section was examined.

Rational synthesis of low-polydispersity block copolymer vesicles in concentrated solution via polymerization-induced self-assembly.

PubMed

Gonzato, Carlo; Semsarilar, Mona; Jones, Elizabeth R; Li, Feng; Krooshof, Gerard J P; Wyman, Paul; Mykhaylyk, Oleksandr O; Tuinier, Remco; Armes, Steven P

2014-08-06

Block copolymer self-assembly is normally conducted via post-polymerization processing at high dilution. In the case of block copolymer vesicles (or "polymersomes"), this approach normally leads to relatively broad size distributions, which is problematic for many potential applications. Herein we report the rational synthesis of low-polydispersity diblock copolymer vesicles in concentrated solution via polymerization-induced self-assembly using reversible addition-fragmentation chain transfer (RAFT) polymerization of benzyl methacrylate. Our strategy utilizes a binary mixture of a relatively long and a relatively short poly(methacrylic acid) stabilizer block, which become preferentially expressed at the outer and inner poly(benzyl methacrylate) membrane surface, respectively. Dynamic light scattering was utilized to construct phase diagrams to identify suitable conditions for the synthesis of relatively small, low-polydispersity vesicles. Small-angle X-ray scattering (SAXS) was used to verify that this binary mixture approach produced vesicles with significantly narrower size distributions compared to conventional vesicles prepared using a single (short) stabilizer block. Calculations performed using self-consistent mean field theory (SCMFT) account for the preferred self-assembled structures of the block copolymer binary mixtures and are in reasonable agreement with experiment. Finally, both SAXS and SCMFT indicate a significant degree of solvent plasticization for the membrane-forming poly(benzyl methacrylate) chains.

Instrumentation on Multi-Scaled Scattering of Bio-Macromolecular Solutions

PubMed Central

Chu, Benjamin; Fang, Dufei; Mao, Yimin

2015-01-01

The design, construction and initial tests on a combined laser light scattering and synchrotron X-ray scattering instrument can cover studies of length scales from atomic sizes in Angstroms to microns and dynamics from microseconds to seconds are presented. In addition to static light scattering (SLS), dynamic light scattering (DLS), small angle X-ray scattering (SAXS) and wide angle X-ray diffraction (WAXD), the light scattering instrument is being developed to carry out studies in mildly turbid solutions, in the presence of multiple scattering. Three-dimensional photon cross correlation function (3D-PCCF) measurements have been introduced to couple with synchrotron X-ray scattering to study the structure, size and dynamics of macromolecules in solution. PMID:25946340

Electromagnetic inverse scattering

NASA Technical Reports Server (NTRS)

Bojarski, N. N.

1972-01-01

A three-dimensional electromagnetic inverse scattering identity, based on the physical optics approximation, is developed for the monostatic scattered far field cross section of perfect conductors. Uniqueness of this inverse identity is proven. This identity requires complete scattering information for all frequencies and aspect angles. A nonsingular integral equation is developed for the arbitrary case of incomplete frequence and/or aspect angle scattering information. A general closed-form solution to this integral equation is developed, which yields the shape of the scatterer from such incomplete information. A specific practical radar solution is presented. The resolution of this solution is developed, yielding short-pulse target resolution radar system parameter equations. The special cases of two- and one-dimensional inverse scattering and the special case of a priori knowledge of scatterer symmetry are treated in some detail. The merits of this solution over the conventional radar imaging technique are discussed.

Plasmonic nanostructures for surface-enhanced Raman spectroscopy

NASA Astrophysics Data System (ADS)

Jiang, Ruiqian

In the last three decades, a large number of different plasmonic nanostructures have attracted much attention due to their unique optical properties. Those plasmonic nanostructures include nanoparticles, nanoholes and metal nanovoids. They have been widely utilized in optical devices and sensors. When the plasmonic nanostructures interact with the electromagnetic wave and their surface plasmon frequency match with the light frequency, the electrons in plasmonic nanostructures will resonate with the same oscillation as incident light. In this case, the plasmonic nanostructures can absorb light and enhance the light scattering. Therefore, the plasmonic nanostructures can be used as substrate for surface-enhanced Raman spectroscopy to enhance the Raman signal. Using plasmonic nanostructures can significantly enhance Raman scattering of molecules with very low concentrations. In this thesis, two different plasmonic nanostructures Ag dendrites and Au/Ag core-shell nanoparticles are investigated. Simple methods were used to produce these two plasmonic nanostructures. Then, their applications in surface enhanced Raman scattering have been explored. Ag dendrites were produced by galvanic replacement reaction, which was conducted using Ag nitrate aqueous solution and copper metal. Metal copper layer was deposited at the bottom side of anodic aluminum oxide (AAO) membrane. Silver wires formed inside AAO channels connected Ag nitrate on the top of AAO membrane and copper layer at the bottom side of AAO. Silver dendrites were formed on the top side of AAO. The second plasmonic nanostructure is Au/Ag core-shell nanoparticles. They were fabricated by electroless plating (galvanic replacement) reaction in a silver plating solution. First, electrochemically evolved hydrogen bubbles were used as template through electroless deposition to produce hollow Au nanoparticles. Then, the Au nanoparticles were coated with Cu shells in a Cu plating solution. In the following step, a AgCN based plating solution was used to replace Cu shell to form Au/Ag core-shell nanoparticles. These two plasmonic nanostructures were tested as substrates for Raman spectroscopy. It demonstrated that these plasmonic nanostructures could enhance Raman signal from the molecules on their surface. The results indicate that these plasmonic nanostructures could be utilized in many fields, such as such as biological and environmental sensors.

Novel system for pulse radiolysis with multi-angle light scattering detection (PR-MALLS) - concept, construction and first tests

NASA Astrophysics Data System (ADS)

Kadlubowski, S.; Sawicki, P.; Sowinski, S.; Rokita, B.; Bures, K. D.; Rosiak, J. M.; Ulanski, P.

2018-01-01

Time-resolved pulse radiolysis, utilizing short pulses of high-energy electrons from accelerators, is an effective method for rapidly generating free radicals and other transient species in solution. Combined with fast time-resolved spectroscopic detection (typically in the ultraviolet/visible/near-infrared), it is invaluable for monitoring the reactivity of species subjected to radiolysis on timescales ranging from picoseconds to seconds. When used for polymer solutions, pulse radiolysis can be coupled with light-scattering detection, creating a powerful tool for kinetic and mechanistic analysis of processes like degradation or cross-linking of macromolecules. Changes in the light scattering intensity (LSI) of polymer solutions are indicative of alterations in the molecular weight and/or in the radius of gyration, i.e., the dimensions and shape of the macromolecules. In addition to other detection methods, LSI technique provides a convenient tool to study radiation-induced alterations in macromolecules as a function of time after the pulse. Pulse radiolysis systems employing this detection mode have been so far constructed to follow light scattered at a single angle (typically the right angle) to the incident light beam. Here we present an advanced pulse radiolysis & multi-angle light-scattering-intensity system (PR-MALLS) that has been built at IARC and is currently in the phase of optimization and testing. Idea of its design and operation is described and preliminary results for radiation-induced degradation of pullulan as well as polymerization and crosslinking of poly(ethylene glycol) diacrylate are presented. Implementation of the proposed system provides a novel research tool, which is expected to contribute to the expansion of knowledge on free-radical reactions in monomer- and polymer solutions, by delivering precise kinetic data on changes in molecular weight and size, and thus allowing to formulate or verify reaction mechanisms. The proposed method is universal and can be applied for studying both natural and synthetic polymers. The developed system can be also valuable in studies of the border of biology and medicine, especially on radical reactions of biopolymers and their conformational transitions. Furthermore, capability to follow fast changes in mass and dimensions of nanobjects may be of significant importance for nanoscience and nanotechnology.

Finite Element Modeling of Scattering from Underwater Proud and Buried Military Munitions

DTIC Science & Technology

2017-02-28

FINAL REPORT Finite Element Modeling of Scattering from Underwater Proud and Buried Military Munitions SERDP Project MR-2408 JULY 2017...solution and the red dash-dot line repre- sents the coupled finite -boundary element solution. . . . . . . . . . . . . . . . . . 11 3 The scattering...dot line represents the coupled finite -boundary element solution. . . . . . . . 11 i 4 The scattering amplitude as a function of the receiver angle for

Static Light Scattering from Concentrated Protein Solutions, I: General Theory for Protein Mixtures and Application to Self-Associating Proteins

PubMed Central

Minton, Allen P.

2007-01-01

Exact expressions for the static light scattering of a solution containing up to three species of point-scattering solutes in highly nonideal solutions at arbitrary concentration are obtained from multicomponent scattering theory. Explicit expressions for thermodynamic interaction between solute molecules, required to evaluate the scattering relations, are obtained using an equivalent hard particle approximation similar to that employed earlier to interpret scattering of a single protein species at high concentration. The dependence of scattering intensity upon total protein concentration is calculated for mixtures of nonassociating proteins and for a single self-associating protein over a range of concentrations up to 200 g/l. An approximate semiempirical analysis of the concentration dependence of scattering intensity is proposed, according to which the contribution of thermodynamic interaction to scattering intensity is modeled as that of a single average hard spherical species. Simulated data containing pseudo-noise comparable in magnitude to actual experimental uncertainty are modeled using relations obtained from the proposed semiempirical analysis. It is shown that by using these relations one can extract from the data reasonably reliable information about underlying weak associations that are manifested only at very high total protein concentration. PMID:17526566

Monitoring and modeling of ultrasonic wave propagation in crystallizing mixtures

NASA Astrophysics Data System (ADS)

Marshall, T.; Challis, R. E.; Tebbutt, J. S.

2002-05-01

The utility of ultrasonic compression wave techniques for monitoring crystallization processes is investigated in a study of the seeded crystallization of copper II sulfate pentahydrate from aqueous solution. Simple models are applied to predict crystal yield, crystal size distribution and the changing nature of the continuous phase. A scattering model is used to predict the ultrasonic attenuation as crystallization proceeds. Experiments confirm that modeled attenuation is in agreement with measured results.

Direct Solve of Electrically Large Integral Equations for Problem Sizes to 1M Unknowns

NASA Technical Reports Server (NTRS)

Shaeffer, John

2008-01-01

Matrix methods for solving integral equations via direct solve LU factorization are presently limited to weeks to months of very expensive supercomputer time for problems sizes of several hundred thousand unknowns. This report presents matrix LU factor solutions for electromagnetic scattering problems for problem sizes to one million unknowns with thousands of right hand sides that run in mere days on PC level hardware. This EM solution is accomplished by utilizing the numerical low rank nature of spatially blocked unknowns using the Adaptive Cross Approximation for compressing the rank deficient blocks of the system Z matrix, the L and U factors, the right hand side forcing function and the final current solution. This compressed matrix solution is applied to a frequency domain EM solution of Maxwell's equations using standard Method of Moments approach. Compressed matrix storage and operations count leads to orders of magnitude reduction in memory and run time.

Enhanced photoelectric performance in self-powered UV detectors based on ZnO nanowires with plasmonic Au nanoparticles scattered electrolyte

NASA Astrophysics Data System (ADS)

Zeng, Yiyu; Ye, Zhizhen; Lu, Bin; Dai, Wei; Pan, Xinhua

2016-04-01

Vertically aligned ZnO nanowires (NWs) were grown on a fluorine-doped tin-oxide-coated glass substrate by a hydrothermal method. Au nanoparticles were well dispersed in the mixed solution of ethanol and deionized water. A simple self-powered ultraviolet detector based on solid-liquid heterojunction was fabricated, utilizing ZnO NWs as active photoanode and such prepared mixed solution as electrolyte. The introduction of Au nanoparticles results in considerable improvements in the responsivity and sensitivity of the device compared with the one using deionized water as electrolyte, which is attributed to the enhanced light harvesting by Au nanoparticles.

X-ray solution scattering combined with computation characterizing protein folds and multiple conformational states : computation and application.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, S.; Park, S.; Makowski, L.

Small angle X-ray scattering (SAXS) is an increasingly powerful technique to characterize the structure of biomolecules in solution. We present a computational method for accurately and efficiently computing the solution scattering curve from a protein with dynamical fluctuations. The method is built upon a coarse-grained (CG) representation of the protein. This CG approach takes advantage of the low-resolution character of solution scattering. It allows rapid determination of the scattering pattern from conformations extracted from CG simulations to obtain scattering characterization of the protein conformational landscapes. Important elements incorporated in the method include an effective residue-based structure factor for each aminomore » acid, an explicit treatment of the hydration layer at the surface of the protein, and an ensemble average of scattering from all accessible conformations to account for macromolecular flexibility. The CG model is calibrated and illustrated to accurately reproduce the experimental scattering curve of Hen egg white lysozyme. We then illustrate the computational method by calculating the solution scattering pattern of several representative protein folds and multiple conformational states. The results suggest that solution scattering data, when combined with a reliable computational method, have great potential for a better structural description of multi-domain complexes in different functional states, and for recognizing structural folds when sequence similarity to a protein of known structure is low. Possible applications of the method are discussed.« less

Resonant soft X-ray scattering on protein solutions

NASA Astrophysics Data System (ADS)

Ye, Dan; Le, Thinh; Wang, Cheng; Zwart, Peter; Gomez, Esther; Gomez, Enrique

Protein structure is crucial for biological function, such that characterizing protein folding and packing is important for the design of therapeutics and enzymes. We propose resonant soft X-ray scattering (RSOXS) as an approach to study proteins and other biological assemblies in solution. Calculations of the scattering contrast suggest that soft X-ray scattering is more sensitive than hard X-ray scattering, because of contrast generated at the absorption edges of constituent elements such as carbon, nitrogen and oxygen. We have examined the structure of bovine serum albumin (BSA) in solution by RSOXS. We find that by varying incident X-ray energies, we are able to achieve higher scattering contrast near the absorption edge. From our RSOXS scattering result we are able to reconstruct the structure of BSA in 3D. These RSOXS results also agree with hard X-ray experiments, including crystallographic data. Our study demonstrates the potential of RSOXS for studying protein structure in solution.

Reconstruction of viruses from solution x-ray scattering data

NASA Astrophysics Data System (ADS)

Zheng, Yibin; Doerschuk, Peter C.; Johnson, John E.

1995-08-01

A model-based method for reconstructing the 3D structure of icosahedrally-symmetric viruses from solution x-ray scattering is presented. An example of the reconstruction, for data from cowpea mosaic virus, is described. The major opportunity provided by solution x-ray scattering is the ability to study the dynamics of virus particles in solution, information that is not accessible to crystal x-ray diffraction experiments.

The Radiated Field Generated by a Monopole Source in a Short, Rigid, Rectangular Duct. Degree awarded by George Washington Univ.

NASA Technical Reports Server (NTRS)

Lakota, Barbara Anne

1998-01-01

This thesis develops a method to model the acoustic field generated by a monopole source placed in a moving rectangular duct. The walls of the duct are assumed to be infinitesimally thin and the source is placed at the center of the duct. The total acoustic pressure is written in terms of the free-space pressure, or incident pressure, and the scattered pressure. The scattered pressure is the augmentation to the incident pressure due to the presence of the duct. It satisfies a homogeneous wave equation and is discontinuous across the duct walls. Utilizing an integral representation of the scattered pressure, a set of singular boundary integral equations governing the unknown jump in scattered pressure is derived. This equation is solved by the method of collocation after representing the jump in pressure as a double series of shape functions. The solution obtained is then substituted back into the integral representation to determine the scattered pressure, and the total acoustic pressure at any point in the field. A few examples are included to illustrate the influence of various geometric and kinematic parameters on the radiated sound field.

Single scattering solution for radiative transfer through Rayleigh and aerosol atmosphere

NASA Technical Reports Server (NTRS)

Otterman, J.

1977-01-01

A solution is presented to the radiative transfer of the solar irradiation through a turbid atmosphere, based on the single-scattering approximation, i.e., an assumption that a photon that underwent scattering either leaves the top of the atmosphere or strikes the surface. The solution depends on a special idealization of the scattering phase function of the aerosols. The equations developed are subsequently applied to analyze quantitatively the enhancement of the surface irradiation and the enhancement of the scattered radiant emittance as seen from above the atmosphere, caused by the surface reflectance and atmospheric back scattering. An order of magnitude error analysis is presented.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bunkin, N F; Shkirin, A V; Burkhanov, I S

Aqueous NaCl solutions with different concentrations have been investigated by dynamic scattering of laser radiation. It is experimentally shown that these solutions contain scattering particles with a wide size distribution in a range of ∼10 – 100 nm. The experimental results indirectly confirm the existence of quasi-stable gas nanobubbles in the bulk of aqueous ionic solutions. (light scattering)

Versatile application of indirect Fourier transformation to structure factor analysis: from X-ray diffraction of molecular liquids to small angle scattering of protein solutions.

PubMed

Fukasawa, Toshiko; Sato, Takaaki

2011-02-28

We highlight versatile applicability of a structure-factor indirect Fourier transformation (IFT) technique, hereafter called SQ-IFT. The original IFT aims at the pair distance distribution function, p(r), of colloidal particles from small angle scattering of X-rays (SAXS) and neutrons (SANS), allowing the conversion of the experimental form factor, P(q), into a more intuitive real-space spatial autocorrelation function. Instead, SQ-IFT is an interaction potential model-free approach to the 'effective' or 'experimental' structure factor to yield the pair correlation functions (PCFs), g(r), of colloidal dispersions like globular protein solutions for small-angle scattering data as well as the radial distribution functions (RDFs) of molecular liquids in liquid diffraction (LD) experiments. We show that SQ-IFT yields accurate RDFs of liquid H(2)O and monohydric alcohol reflecting their local intermolecular structures, in which q-weighted structure function, qH(q), conventionally utilized in many LD studies out of necessity of performing direct Fourier transformation, is no longer required. We also show that SQ-IFT applied to theoretically calculated structure factors for uncharged and charged colloidal dispersions almost perfectly reproduces g(r) obtained as a solution of the Ornstein-Zernike (OZ) equation. We further demonstrate the relevance of SQ-IFT in its practical applications, using SANS effective structure factors of lysozyme solutions reported in recent literatures which revealed the equilibrium cluster formation due to coexisting long range electrostatic repulsion and short range attraction between the proteins. Finally, we present SAXS experiments on human serum albumin (HSA) at different ionic strength and protein concentration, in which we discuss the real space picture of spatial distributions of the proteins via the interaction potential model-free route.

Monte Carlo based investigation of berry phase for depth resolved characterization of biomedical scattering samples

NASA Astrophysics Data System (ADS)

Baba, J. S.; Koju, V.; John, D.

2015-03-01

The propagation of light in turbid media is an active area of research with relevance to numerous investigational fields, e.g., biomedical diagnostics and therapeutics. The statistical random-walk nature of photon propagation through turbid media is ideal for computational based modeling and simulation. Ready access to super computing resources provide a means for attaining brute force solutions to stochastic light-matter interactions entailing scattering by facilitating timely propagation of sufficient (>107) photons while tracking characteristic parameters based on the incorporated physics of the problem. One such model that works well for isotropic but fails for anisotropic scatter, which is the case for many biomedical sample scattering problems, is the diffusion approximation. In this report, we address this by utilizing Berry phase (BP) evolution as a means for capturing anisotropic scattering characteristics of samples in the preceding depth where the diffusion approximation fails. We extend the polarization sensitive Monte Carlo method of Ramella-Roman, et al., to include the computationally intensive tracking of photon trajectory in addition to polarization state at every scattering event. To speed-up the computations, which entail the appropriate rotations of reference frames, the code was parallelized using OpenMP. The results presented reveal that BP is strongly correlated to the photon penetration depth, thus potentiating the possibility of polarimetric depth resolved characterization of highly scattering samples, e.g., biological tissues.

Monte Carlo based investigation of Berry phase for depth resolved characterization of biomedical scattering samples

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baba, Justin S; John, Dwayne O; Koju, Vijay

The propagation of light in turbid media is an active area of research with relevance to numerous investigational fields, e.g., biomedical diagnostics and therapeutics. The statistical random-walk nature of photon propagation through turbid media is ideal for computational based modeling and simulation. Ready access to super computing resources provide a means for attaining brute force solutions to stochastic light-matter interactions entailing scattering by facilitating timely propagation of sufficient (>10million) photons while tracking characteristic parameters based on the incorporated physics of the problem. One such model that works well for isotropic but fails for anisotropic scatter, which is the case formore » many biomedical sample scattering problems, is the diffusion approximation. In this report, we address this by utilizing Berry phase (BP) evolution as a means for capturing anisotropic scattering characteristics of samples in the preceding depth where the diffusion approximation fails. We extend the polarization sensitive Monte Carlo method of Ramella-Roman, et al.,1 to include the computationally intensive tracking of photon trajectory in addition to polarization state at every scattering event. To speed-up the computations, which entail the appropriate rotations of reference frames, the code was parallelized using OpenMP. The results presented reveal that BP is strongly correlated to the photon penetration depth, thus potentiating the possibility of polarimetric depth resolved characterization of highly scattering samples, e.g., biological tissues.« less

Eikonal solutions to optical model coupled-channel equations

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.; Khandelwal, Govind S.; Maung, Khin M.; Townsend, Lawrence W.; Wilson, John W.

1988-01-01

Methods of solution are presented for the Eikonal form of the nucleus-nucleus coupled-channel scattering amplitudes. Analytic solutions are obtained for the second-order optical potential for elastic scattering. A numerical comparison is made between the first and second order optical model solutions for elastic and inelastic scattering of H-1 and He-4 on C-12. The effects of bound-state excitations on total and reaction cross sections are also estimated.

Laplace Transform Based Radiative Transfer Studies

NASA Astrophysics Data System (ADS)

Hu, Y.; Lin, B.; Ng, T.; Yang, P.; Wiscombe, W.; Herath, J.; Duffy, D.

2006-12-01

Multiple scattering is the major uncertainty for data analysis of space-based lidar measurements. Until now, accurate quantitative lidar data analysis has been limited to very thin objects that are dominated by single scattering, where photons from the laser beam only scatter a single time with particles in the atmosphere before reaching the receiver, and simple linear relationship between physical property and lidar signal exists. In reality, multiple scattering is always a factor in space-based lidar measurement and it dominates space- based lidar returns from clouds, dust aerosols, vegetation canopy and phytoplankton. While multiple scattering are clear signals, the lack of a fast-enough lidar multiple scattering computation tool forces us to treat the signal as unwanted "noise" and use simple multiple scattering correction scheme to remove them. Such multiple scattering treatments waste the multiple scattering signals and may cause orders of magnitude errors in retrieved physical properties. Thus the lack of fast and accurate time-dependent radiative transfer tools significantly limits lidar remote sensing capabilities. Analyzing lidar multiple scattering signals requires fast and accurate time-dependent radiative transfer computations. Currently, multiple scattering is done with Monte Carlo simulations. Monte Carlo simulations take minutes to hours and are too slow for interactive satellite data analysis processes and can only be used to help system / algorithm design and error assessment. We present an innovative physics approach to solve the time-dependent radiative transfer problem. The technique utilizes FPGA based reconfigurable computing hardware. The approach is as following, 1. Physics solution: Perform Laplace transform on the time and spatial dimensions and Fourier transform on the viewing azimuth dimension, and convert the radiative transfer differential equation solving into a fast matrix inversion problem. The majority of the radiative transfer computation goes to matrix inversion processes, FFT and inverse Laplace transforms. 2. Hardware solutions: Perform the well-defined matrix inversion, FFT and Laplace transforms on highly parallel, reconfigurable computing hardware. This physics-based computational tool leads to accurate quantitative analysis of space-based lidar signals and improves data quality of current lidar mission such as CALIPSO. This presentation will introduce the basic idea of this approach, preliminary results based on SRC's FPGA-based Mapstation, and how we may apply it to CALIPSO data analysis.

Integral Equations and Scattering Solutions for a Square-Well Potential.

ERIC Educational Resources Information Center

Bagchi, B.; Seyler, R. G.

1979-01-01

Derives Green's functions and integral equations for scattering solutions subject to a variety of boundary conditions. Exact solutions are obtained for the case of a finite spherical square-well potential, and properties of these solutions are discussed. (Author/HM)

A stochastic method for Brownian-like optical transport calculations in anisotropic biosuspensions and blood

NASA Astrophysics Data System (ADS)

Miller, Steven

1998-03-01

A generic stochastic method is presented that rapidly evaluates numerical bulk flux solutions to the one-dimensional integrodifferential radiative transport equation, for coherent irradiance of optically anisotropic suspensions of nonspheroidal bioparticles, such as blood. As Fermat rays or geodesics enter the suspension, they evolve into a bundle of random paths or trajectories due to scattering by the suspended bioparticles. Overall, this can be interpreted as a bundle of Markov trajectories traced out by a "gas" of Brownian-like point photons being scattered and absorbed by the homogeneous distribution of uncorrelated cells in suspension. By considering the cumulative vectorial intersections of a statistical bundle of random trajectories through sets of interior data planes in the space containing the medium, the effective equivalent information content and behavior of the (generally unknown) analytical flux solutions of the radiative transfer equation rapidly emerges. The fluxes match the analytical diffuse flux solutions in the diffusion limit, which verifies the accuracy of the algorithm. The method is not constrained by the diffusion limit and gives correct solutions for conditions where diffuse solutions are not viable. Unlike conventional Monte Carlo and numerical techniques adapted from neutron transport or nuclear reactor problems that compute scalar quantities, this vectorial technique is fast, easily implemented, adaptable, and viable for a wide class of biophotonic scenarios. By comparison, other analytical or numerical techniques generally become unwieldy, lack viability, or are more difficult to utilize and adapt. Illustrative calculations are presented for blood medias at monochromatic wavelengths in the visible spectrum.

Small-scale screening method for low-viscosity antibody solutions using small-angle X-ray scattering.

PubMed

Fukuda, Masakazu; Watanabe, Atsushi; Hayasaka, Akira; Muraoka, Masaru; Hori, Yuji; Yamazaki, Tadao; Imaeda, Yoshimi; Koga, Akiko

2017-03-01

In this study, we investigated the concentration range in which self-association starts to form in humanized IgG monoclonal antibody (mAb) solutions. Furthermore, on the basis of the results, we developed a practical method of screening for low-viscosity antibody solutions by using small-angle X-ray scattering (SAXS) measurements utilizing small quantities of samples. With lower-viscosity mAb3, self-association was not detected in the range of 1-80mg/mL. With higher-viscosity mAb1, on the other hand, self-association was detected in the range of 10-20mg/mL and was clearly enhanced by a decrease in temperature. The viscosities of mAb solutions at 160, 180, and 200mg/mL at 25°C quantitatively correlated very well with the particle size parameters obtained by SAXS measurements of mAb solutions at 15mg/mL at 5°C. The quantity of mAb sample required for the SAXS measurements was only 0.15mg, which is about one-hundredth of that required for actual viscosity measurements at a high concentration, and such quantities could be available even at an early stage of development. In conclusion, the SAXS analysis method proposed in this study is a valuable tool for the development of concentrated mAb therapeutics with high manufacturability and high usability for subcutaneous injection. Copyright © 2016 Elsevier B.V. All rights reserved.

Mixing Single Scattering Properties in Vector Radiative Transfer for Deterministic and Stochastic Solutions

NASA Astrophysics Data System (ADS)

Mukherjee, L.; Zhai, P.; Hu, Y.; Winker, D. M.

2016-12-01

Among the primary factors, which determine the polarized radiation, field of a turbid medium are the single scattering properties of the medium. When multiple types of scatterers are present, the single scattering properties of the scatterers need to be properly mixed in order to find the solutions to the vector radiative transfer theory (VRT). The VRT solvers can be divided into two types: deterministic and stochastic. The deterministic solver can only accept one set of single scattering property in its smallest discretized spatial volume. When the medium contains more than one kind of scatterer, their single scattering properties are averaged, and then used as input for the deterministic solver. The stochastic solver, can work with different kinds of scatterers explicitly. In this work, two different mixing schemes are studied using the Successive Order of Scattering (SOS) method and Monte Carlo (MC) methods. One scheme is used for deterministic and the other is used for the stochastic Monte Carlo method. It is found that the solutions from the two VRT solvers using two different mixing schemes agree with each other extremely well. This confirms the equivalence to the two mixing schemes and also provides a benchmark for the VRT solution for the medium studied.

Reconstruction of SAXS Profiles from Protein Structures

PubMed Central

Putnam, Daniel K.; Lowe, Edward W.

2013-01-01

Small angle X-ray scattering (SAXS) is used for low resolution structural characterization of proteins often in combination with other experimental techniques. After briefly reviewing the theory of SAXS we discuss computational methods based on 1) the Debye equation and 2) Spherical Harmonics to compute intensity profiles from a particular macromolecular structure. Further, we review how these formulas are parameterized for solvent density and hydration shell adjustment. Finally we introduce our solution to compute SAXS profiles utilizing GPU acceleration. PMID:24688746

Optimal control penalty finite elements - Applications to integrodifferential equations

NASA Astrophysics Data System (ADS)

Chung, T. J.

The application of the optimal-control/penalty finite-element method to the solution of integrodifferential equations in radiative-heat-transfer problems (Chung et al.; Chung and Kim, 1982) is discussed and illustrated. The nonself-adjointness of the convective terms in the governing equations is treated by utilizing optimal-control cost functions and employing penalty functions to constrain auxiliary equations which permit the reduction of second-order derivatives to first order. The OCPFE method is applied to combined-mode heat transfer by conduction, convection, and radiation, both without and with scattering and viscous dissipation; the results are presented graphically and compared to those obtained by other methods. The OCPFE method is shown to give good results in cases where standard Galerkin FE fail, and to facilitate the investigation of scattering and dissipation effects.

Approximating the nonlinear density dependence of electron transport coefficients and scattering rates across the gas-liquid interface

NASA Astrophysics Data System (ADS)

Garland, N. A.; Boyle, G. J.; Cocks, D. G.; White, R. D.

2018-02-01

This study reviews the neutral density dependence of electron transport in gases and liquids and develops a method to determine the nonlinear medium density dependence of electron transport coefficients and scattering rates required for modeling transport in the vicinity of gas-liquid interfaces. The method has its foundations in Blanc’s law for gas-mixtures and adapts the theory of Garland et al (2017 Plasma Sources Sci. Technol. 26) to extract electron transport data across the gas-liquid transition region using known data from the gas and liquid phases only. The method is systematically benchmarked against multi-term Boltzmann equation solutions for Percus-Yevick model liquids. Application to atomic liquids highlights the utility and accuracy of the derived method.

Radiation and scattering by thin-wire structures in the complex frequency domain. [electromagnetic theory for thin-wire antennas

NASA Technical Reports Server (NTRS)

Richmond, J. H.

1974-01-01

Piecewise-sinusoidal expansion functions and Galerkin's method are employed to formulate a solution for an arbitrary thin-wire configuration in a homogeneous conducting medium. The analysis is performed in the real or complex frequency domain. In antenna problems, the solution determines the current distribution, impedance, radiation efficiency, gain and far-field patterns. In scattering problems, the solution determines the absorption cross section, scattering cross section and the polarization scattering matrix. The electromagnetic theory is presented for thin wires and the forward-scattering theorem is developed for an arbitrary target in a homogeneous conducting medium.

Hypercube matrix computation task

NASA Technical Reports Server (NTRS)

Calalo, Ruel H.; Imbriale, William A.; Jacobi, Nathan; Liewer, Paulett C.; Lockhart, Thomas G.; Lyzenga, Gregory A.; Lyons, James R.; Manshadi, Farzin; Patterson, Jean E.

1988-01-01

A major objective of the Hypercube Matrix Computation effort at the Jet Propulsion Laboratory (JPL) is to investigate the applicability of a parallel computing architecture to the solution of large-scale electromagnetic scattering problems. Three scattering analysis codes are being implemented and assessed on a JPL/California Institute of Technology (Caltech) Mark 3 Hypercube. The codes, which utilize different underlying algorithms, give a means of evaluating the general applicability of this parallel architecture. The three analysis codes being implemented are a frequency domain method of moments code, a time domain finite difference code, and a frequency domain finite elements code. These analysis capabilities are being integrated into an electromagnetics interactive analysis workstation which can serve as a design tool for the construction of antennas and other radiating or scattering structures. The first two years of work on the Hypercube Matrix Computation effort is summarized. It includes both new developments and results as well as work previously reported in the Hypercube Matrix Computation Task: Final Report for 1986 to 1987 (JPL Publication 87-18).

Electromagnetic scattering calculations on the Intel Touchstone Delta

NASA Technical Reports Server (NTRS)

Cwik, Tom; Patterson, Jean; Scott, David

1992-01-01

During the first year's operation of the Intel Touchstone Delta system, software which solves the electric field integral equations for fields scattered from arbitrarily shaped objects has been transferred to the Delta. To fully realize the Delta's resources, an out-of-core dense matrix solution algorithm that utilizes some or all of the 90 Gbyte of concurrent file system (CFS) has been used. The largest calculation completed to date computes the fields scattered from a perfectly conducting sphere modeled by 48,672 unknown functions, resulting in a complex valued dense matrix needing 37.9 Gbyte of storage. The out-of-core LU matrix factorization algorithm was executed in 8.25 h at a rate of 10.35 Gflops. Total time to complete the calculation was 19.7 h-the additional time was used to compute the 48,672 x 48,672 matrix entries, solve the system for a given excitation, and compute observable quantities. The calculation was performed in 64-b precision.

Resolution of ab initio shapes determined from small-angle scattering.

PubMed

Tuukkanen, Anne T; Kleywegt, Gerard J; Svergun, Dmitri I

2016-11-01

Spatial resolution is an important characteristic of structural models, and the authors of structures determined by X-ray crystallography or electron cryo-microscopy always provide the resolution upon publication and deposition. Small-angle scattering of X-rays or neutrons (SAS) has recently become a mainstream structural method providing the overall three-dimensional structures of proteins, nucleic acids and complexes in solution. However, no quantitative resolution measure is available for SAS-derived models, which significantly hampers their validation and further use. Here, a method is derived for resolution assessment for ab initio shape reconstruction from scattering data. The inherent variability of the ab initio shapes is utilized and it is demonstrated how their average Fourier shell correlation function is related to the model resolution. The method is validated against simulated data for proteins with known high-resolution structures and its efficiency is demonstrated in applications to experimental data. It is proposed that henceforth the resolution be reported in publications and depositions of ab initio SAS models.

Resolution of ab initio shapes determined from small-angle scattering

PubMed Central

Tuukkanen, Anne T.; Kleywegt, Gerard J.; Svergun, Dmitri I.

2016-01-01

Spatial resolution is an important characteristic of structural models, and the authors of structures determined by X-ray crystallography or electron cryo-microscopy always provide the resolution upon publication and deposition. Small-angle scattering of X-rays or neutrons (SAS) has recently become a mainstream structural method providing the overall three-dimensional structures of proteins, nucleic acids and complexes in solution. However, no quantitative resolution measure is available for SAS-derived models, which significantly hampers their validation and further use. Here, a method is derived for resolution assessment for ab initio shape reconstruction from scattering data. The inherent variability of the ab initio shapes is utilized and it is demonstrated how their average Fourier shell correlation function is related to the model resolution. The method is validated against simulated data for proteins with known high-resolution structures and its efficiency is demonstrated in applications to experimental data. It is proposed that henceforth the resolution be reported in publications and depositions of ab initio SAS models. PMID:27840683

Double spacing multi-wavelength Brillouin Raman fiber laser of eight-shaped structure utilizing Raman amplifier

NASA Astrophysics Data System (ADS)

Madin, M. Sya'aer; Ahmad Hambali, N. A. M.; Shahimin, M. M.; Wahid, M. H. A.; Roshidah, N.; Azaidin, M. A. M.

2017-02-01

In this paper, double frequency spacing of multi-wavelength Brillouin Raman fiber laser utilizing eight-shaped structure in conjunction with Raman amplifier is simulated and demonstrated using Optisys software. Double frequency multiwavelength Brillouin Raman fiber laser is one of the solution for single frequency spacing channel de-multiplexing from narrow single spacing in the communication systems. The eight-shaped structure has the ability to produce lower noise and double frequency spacing. The 7 km of single mode fiber acting as a nonlinear medium for the generation of Stimulated Brillouin Scattering and Stimulated Raman Scattering. As a results, the optimum results are recorded at 1450 nm of RP power at 22 dBm and 1550 nm of BP power at 20 dBm. These parameters provide a high output peak power, gain and average OSNR. The highest peak power of Stokes 1 is recorded at 90% of coupling ratio which is 29.88 dBm. It is found that the maximum gain and average OSNR of about 1.23 dB and 63.74 dB.

On the influence of lipid-induced optical anisotropy for the bioimaging of exo- or endocytosis with interference microscopic imaging.

PubMed

Marques, D; Miranda, A; Silva, A G; Munro, P R T; DE Beule, P A A

2018-05-01

Some implementations of interference microscopy imaging use digital holographic measurements of complex scattered fields to reconstruct three-dimensional refractive index maps of weakly scattering, semi-transparent objects, frequently encountered in biological investigations. Reconstruction occurs through application of the object scattering potential which assumes an isotropic refractive index throughout the object. Here, we demonstrate that this assumption can in some circumstances be invalid for biological imaging due to the presence of lipid-induced optical anisotropy. We show that the nanoscale organization of lipids in the observation of cellular endocytosis with polarized light induces a significant change in far-field scattering. We obtain this result by presenting a general solution to Maxwell's equations describing light scattering of core-shell particles near an isotropic substrate covered with an anisotropic thin film. This solution is based on an extension of the Bobbert-Vlieger solution for particle scattering near a substrate delivering an exact solution to the scattering problem in the near field as well as far field. By applying this solution to study light scattering by a lipid vesicle near a lipid bilayer, whereby the lipids are represented through a biaxial optical model, we conclude through ellipsometry concepts that effective amounts of lipid-induced optical anisotropy significantly alter far-field optical scattering in respect to an equivalent optical model that neglects the presence of optical anisotropy. © 2018 The Authors Journal of Microscopy © 2018 Royal Microscopical Society.

Three-Dimensional Electromagnetic Scattering from Layered Media with Rough Interfaces for Subsurface Radar Remote Sensing

NASA Astrophysics Data System (ADS)

Duan, Xueyang

The objective of this dissertation is to develop forward scattering models for active microwave remote sensing of natural features represented by layered media with rough interfaces. In particular, soil profiles are considered, for which a model of electromagnetic scattering from multilayer rough surfaces with or without buried random media is constructed. Starting from a single rough surface, radar scattering is modeled using the stabilized extended boundary condition method (SEBCM). This method solves the long-standing instability issue of the classical EBCM, and gives three-dimensional full wave solutions over large ranges of surface roughnesses with higher computational efficiency than pure numerical solutions, e.g., method of moments (MoM). Based on this single surface solution, multilayer rough surface scattering is modeled using the scattering matrix approach and the model is used for a comprehensive sensitivity analysis of the total ground scattering as a function of layer separation, subsurface statistics, and sublayer dielectric properties. The buried inhomogeneities such as rocks and vegetation roots are considered for the first time in the forward scattering model. Radar scattering from buried random media is modeled by the aggregate transition matrix using either the recursive transition matrix approach for spherical or short-length cylindrical scatterers, or the generalized iterative extended boundary condition method we developed for long cylinders or root-like cylindrical clusters. These approaches take the field interactions among scatterers into account with high computational efficiency. The aggregate transition matrix is transformed to a scattering matrix for the full solution to the layered-medium problem. This step is based on the near-to-far field transformation of the numerical plane wave expansion of the spherical harmonics and the multipole expansion of plane waves. This transformation consolidates volume scattering from the buried random medium with the scattering from layered structure in general. Combined with scattering from multilayer rough surfaces, scattering contributions from subsurfaces and vegetation roots can be then simulated. Solutions of both the rough surface scattering and random media scattering are validated numerically, experimentally, or both. The experimental validations have been carried out using a laboratory-based transmit-receive system for scattering from random media and a new bistatic tower-mounted radar system for field-based surface scattering measurements.

Improved Optics For Quasi-Elastic Light Scattering

NASA Technical Reports Server (NTRS)

Cheung, Harry Michael

1995-01-01

Improved optical train devised for use in light-scattering measurements of quasi-elastic light scattering (QELS) and laser spectroscopy. Measurements performed on solutions, microemulsions, micellular solutions, and colloidal dispersions. Simultaneous measurements of total intensity and fluctuations in total intensity of light scattered from sample at various angles provides data used, in conjunction with diffusion coefficients, to compute sizes of particles in sample.

Prediction of Protein Aggregation in High Concentration Protein Solutions Utilizing Protein-Protein Interactions Determined by Low Volume Static Light Scattering.

PubMed

Hofmann, Melanie; Winzer, Matthias; Weber, Christian; Gieseler, Henning

2016-06-01

The development of highly concentrated protein formulations is more demanding than for conventional concentrations due to an elevated protein aggregation tendency. Predictive protein-protein interaction parameters, such as the second virial coefficient B22 or the interaction parameter kD, have already been used to predict aggregation tendency and optimize protein formulations. However, these parameters can only be determined in diluted solutions, up to 20 mg/mL. And their validity at high concentrations is currently controversially discussed. This work presents a μ-scale screening approach which has been adapted to early industrial project needs. The procedure is based on static light scattering to directly determine protein-protein interactions at concentrations up to 100 mg/mL. Three different therapeutic molecules were formulated, varying in pH, salt content, and addition of excipients (e.g., sugars, amino acids, polysorbates, or other macromolecules). Validity of the predicted aggregation tendency was confirmed by stability data of selected formulations. Based on the results obtained, the new prediction method is a promising screening tool for fast and easy formulation development of highly concentrated protein solutions, consuming only microliter of sample volumes. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Protein crowding in solution, frozen and freeze-dried states: small-angle neutron and X-ray scattering study of lysozyme/sorbitol/water systems

NASA Astrophysics Data System (ADS)

Krueger, Susan; Khodadadi, Sheila; Clark, Nicholas; McAuley, Arnold; Cristiglio, Viviana; Theyencheri, Narayanan; Curtis, Joseph; Shalaev, Evgenyi

2015-03-01

For effective preservation, proteins are often stored as frozen solutions or in glassy states using a freeze-drying process. However, aggregation is often observed after freeze-thaw or reconstitution of freeze-dried powder and the stability of the protein is no longer assured. In this study, small-angle neutron and X-ray scattering (SANS and SAXS) have been used to investigate changes in protein-protein interaction distances of a model protein/cryoprotectant system of lysozyme/sorbitol/water, under representative pharmaceutical processing conditions. The results demonstrate the utility of SAXS and SANS methods to monitor protein crowding at different stages of freezing and drying. The SANS measurements of solution samples showed at least one protein interaction peak corresponding to an interaction distance of ~ 90 Å. In the frozen state, two protein interaction peaks were observed by SANS with corresponding interaction distances at 40 Å as well as 90 Å. On the other hand, both SAXS and SANS data for freeze-dried samples showed three peaks, suggesting interaction distances ranging from ~ 15 Å to 170 Å. Possible interpretations of these interaction peaks will be discussed, as well as the role of sorbitol as a cryoprotectant during the freezing and drying process.

Surface wave scattering from sharp lateral discontinuities

NASA Astrophysics Data System (ADS)

Pollitz, Fred F.

1994-11-01

The problem of surface wave scattering is re-explored, with quasi-degenerate normal mode coupling as the starting point. For coupling among specified spheroidal and toroidal mode dispersion branches, a set of coupled wave equations is derived in the frequency domain for first-arriving Rayleigh and Love waves. The solutions to these coupled wave equations using linear perturbation theory are surface integrals over the unit sphere covering the lateral distribution of perturbations in Earth structure. For isotropic structural perturbations and surface topographic perturbations, these solutions agree with the Born scattering theory previously obtained by Snieder and Romanowicz. By transforming these surface integrals into line integrals along the boundaries of the heterogeneous regions in the case of sharp discontinuities, and by using uniformly valid Green's functions, it is possible to extend the solution to the case of multiple scattering interactions. The proposed method allows the relatively rapid calculation of exact second order scattered wavefield potentials for scattering by sharp discontinuities, and it has many advantages not realized in earlier treatments. It employs a spherical Earth geometry, uses no far field approximation, and implicitly contains backward as well as forward scattering. Comparisons of asymptotic scattering and an exact solution with single scattering and multiple scattering integral formulations show that the phase perturbation predicted by geometrical optics breaks down for scatterers less than about six wavelengths in diameter, and second-order scattering predicts well both the amplitude and phase pattern of the exact wavefield for sufficiently small scatterers, less than about three wavelengths in diameter for anomalies of a few percent.

Infrared and Raman spectra of N-acetyl- L-amino acid methylamides with aromatic side groups

NASA Astrophysics Data System (ADS)

Matsuura, Hiroatsu; Hasegawa, Kodo; Miyazawa, Tatsuo

Infrared and Raman spectra of N-acetyl- L-phenylalanine methylamide, N-acetyl- L-tyrosine methylamide and N-acetyl- L-tryptophan methylamide, as model compounds of aromatic amino acid residues in proteins, were measured in the solid state and in methanol solutions. Vibrational assignments of the spectra were made by utilizing the deuteration effect and by comparison with the spectra of related compounds which include toluene, p-cresol and 3-methylindole. The amide I, III and IV bands were strong in Raman scattering, but other characteristic amide bands were ill-defined. In the Raman spectra of methanol solutions, only the bands due to the aromatic side group vibrations were markedly observed, but those due to the peptide backbone vibrations were very weak, suggesting the coexistence of various molecular conformations in solution.

Axisymmetric scattering of an acoustical Bessel beam by a rigid fixed spheroid.

PubMed

Mitri, Farid G

2015-10-01

Based on the partial-wave series expansion (PWSE) method in spherical coordinates, a formal analytical solution for the acoustic scattering of a zeroth-order Bessel acoustic beam centered on a rigid fixed (oblate or prolate) spheroid is provided. The unknown scattering coefficients of the spheroid are determined by solving a system of linear equations derived for the Neumann boundary condition. Numerical results for the modulus of the backscattered pressure (θ = π) in the near field and the backscattering form function in the far field for both prolate and oblate spheroids are presented and discussed, with particular emphasis on the aspect ratio (i.e., the ratio of the major axis over the minor axis of the spheroid), the half-cone angle of the Bessel beam, and the dimensionless frequency. The plots display periodic oscillations (versus the dimensionless frequency) because of the interference of specularly reflected waves in the backscattering direction with circumferential Franz' waves circumnavigating the surface of the spheroid in the surrounding fluid. Moreover, the 3-D directivity patterns illustrate the near- and far-field axisymmetric scattering. Investigations in underwater acoustics, particle levitation, scattering, and the detection of submerged elongated objects and other related applications utilizing Bessel waves would benefit from the results of the present study.

Light Scattering by Coated Sphere Immersed in Absorbing Medium: A Comparison between the FDTD and Analytic Solutions

NASA Technical Reports Server (NTRS)

Sun, W.; Loeb, N. G.; Fu, Q.

2004-01-01

A recently developed finite-difference time domain scheme is examined using the exact analytic solutions for light scattering by a coated sphere immersed in an absorbing medium. The relative differences are less than 1% in the extinction, scattering, and absorption efficiencies and less than 5% in the scattering phase functions. The definition of apparent single-scattering properties is also discussed. (C) 2003 Elsevier Ltd. All rights reserved.

An extended UTD analysis for the scattering and diffraction from cubic polynomial strips

NASA Technical Reports Server (NTRS)

Constantinides, E. D.; Marhefka, R. J.

1993-01-01

Spline and polynomial type surfaces are commonly used in high frequency modeling of complex structures such as aircraft, ships, reflectors, etc. It is therefore of interest to develop an efficient and accurate solution to describe the scattered fields from such surfaces. An extended Uniform Geometrical Theory of Diffraction (UTD) solution for the scattering and diffraction from perfectly conducting cubic polynomial strips is derived and involves the incomplete Airy integrals as canonical functions. This new solution is universal in nature and can be used to effectively describe the scattered fields from flat, strictly concave or convex, and concave convex boundaries containing edges. The classic UTD solution fails to describe the more complicated field behavior associated with higher order phase catastrophes and therefore a new set of uniform reflection and first-order edge diffraction coefficients is derived. Also, an additional diffraction coefficient associated with a zero-curvature (inflection) point is presented. Higher order effects such as double edge diffraction, creeping waves, and whispering gallery modes are not examined. The extended UTD solution is independent of the scatterer size and also provides useful physical insight into the various scattering and diffraction processes. Its accuracy is confirmed via comparison with some reference moment method results.

A Numerical Simulation of Scattering from One-Dimensional Inhomogeneous Dielectric Random Surfaces

NASA Technical Reports Server (NTRS)

Sarabandi, Kamal; Oh, Yisok; Ulaby, Fawwaz T.

1996-01-01

In this paper, an efficient numerical solution for the scattering problem of inhomogeneous dielectric rough surfaces is presented. The inhomogeneous dielectric random surface represents a bare soil surface and is considered to be comprised of a large number of randomly positioned dielectric humps of different sizes, shapes, and dielectric constants above an impedance surface. Clods with nonuniform moisture content and rocks are modeled by inhomogeneous dielectric humps and the underlying smooth wet soil surface is modeled by an impedance surface. In this technique, an efficient numerical solution for the constituent dielectric humps over an impedance surface is obtained using Green's function derived by the exact image theory in conjunction with the method of moments. The scattered field from a sample of the rough surface is obtained by summing the scattered fields from all the individual humps of the surface coherently ignoring the effect of multiple scattering between the humps. The statistical behavior of the scattering coefficient sigma(sup 0) is obtained from the calculation of scattered fields of many different realizations of the surface. Numerical results are presented for several different roughnesses and dielectric constants of the random surfaces. The numerical technique is verified by comparing the numerical solution with the solution based on the small perturbation method and the physical optics model for homogeneous rough surfaces. This technique can be used to study the behavior of scattering coefficient and phase difference statistics of rough soil surfaces for which no analytical solution exists.

Pulsed plane wave analytic solutions for generic shapes and the validation of Maxwell's equations solvers

NASA Technical Reports Server (NTRS)

Yarrow, Maurice; Vastano, John A.; Lomax, Harvard

1992-01-01

Generic shapes are subjected to pulsed plane waves of arbitrary shape. The resulting scattered electromagnetic fields are determined analytically. These fields are then computed efficiently at field locations for which numerically determined EM fields are required. Of particular interest are the pulsed waveform shapes typically utilized by radar systems. The results can be used to validate the accuracy of finite difference time domain Maxwell's equations solvers. A two-dimensional solver which is second- and fourth-order accurate in space and fourth-order accurate in time is examined. Dielectric media properties are modeled by a ramping technique which simplifies the associated gridding of body shapes. The attributes of the ramping technique are evaluated by comparison with the analytic solutions.

On the electromagnetic scattering from infinite rectangular grids with finite conductivity

NASA Technical Reports Server (NTRS)

Christodoulou, C. G.; Kauffman, J. F.

1986-01-01

A variety of methods can be used in constructing solutions to the problem of mesh scattering. However, each of these methods has certain drawbacks. The present paper is concerned with a new technique which is valid for all spacings. The new method involved, called the fast Fourier transform-conjugate gradient method (FFT-CGM), represents an iterative technique which employs the conjugate gradient method to improve upon each iterate, utilizing the fast Fourier transform. The FFT-CGM method provides a new accurate model which can be extended and applied to the more difficult problems of woven mesh surfaces. The formulation of the FFT-conjugate gradient method for aperture fields and current densities for a planar periodic structure is considered along with singular operators, the formulation of the FFT-CG method for thin wires with finite conductivity, and reflection coefficients.

Fast inverse scattering solutions using the distorted Born iterative method and the multilevel fast multipole algorithm

PubMed Central

Hesford, Andrew J.; Chew, Weng C.

2010-01-01

The distorted Born iterative method (DBIM) computes iterative solutions to nonlinear inverse scattering problems through successive linear approximations. By decomposing the scattered field into a superposition of scattering by an inhomogeneous background and by a material perturbation, large or high-contrast variations in medium properties can be imaged through iterations that are each subject to the distorted Born approximation. However, the need to repeatedly compute forward solutions still imposes a very heavy computational burden. To ameliorate this problem, the multilevel fast multipole algorithm (MLFMA) has been applied as a forward solver within the DBIM. The MLFMA computes forward solutions in linear time for volumetric scatterers. The typically regular distribution and shape of scattering elements in the inverse scattering problem allow the method to take advantage of data redundancy and reduce the computational demands of the normally expensive MLFMA setup. Additional benefits are gained by employing Kaczmarz-like iterations, where partial measurements are used to accelerate convergence. Numerical results demonstrate both the efficiency of the forward solver and the successful application of the inverse method to imaging problems with dimensions in the neighborhood of ten wavelengths. PMID:20707438

Phase function of a spherical particle when scattering an inhomogeneous electromagnetic plane wave.

PubMed

Frisvad, Jeppe Revall

2018-04-01

In absorbing media, electromagnetic plane waves are most often inhomogeneous. Existing solutions for the scattering of an inhomogeneous plane wave by a spherical particle provide no explicit expressions for the scattering components. In addition, current analytical solutions require evaluation of the complex hypergeometric function F 1 2 for every term of a series expansion. In this work, I develop a simpler solution based on associated Legendre functions with argument zero. It is similar to the solution for homogeneous plane waves but with new explicit expressions for the angular dependency of the far-field scattering components, that is, the phase function. I include recurrence formulas for practical evaluation and provide numerical examples to evaluate how well the new expressions match previous work in some limiting cases. The predicted difference in the scattering phase function due to inhomogeneity is not negligible for light entering an absorbing medium at an oblique angle. The presented theory could thus be useful for predicting scattering behavior in dye-based random lasing and in solar cell absorption enhancement.

An analytic solution of the radiative transfer equation for a gray scattering atmosphere in motion

NASA Astrophysics Data System (ADS)

Pistinner, Shlomi; Shaviv, Giora

1994-12-01

We provide a formal analytic solution of the radiative transfer equation for a gray moving atmosphere in a plane parallel geometry. A formal solution in the diffusion and the free-streaming limit is also provided in the case of a spherically extended atmosphere. The formal solutions are written explicitly for scattering atmospheres in which the density and the velocity fields are given by a power law. A self-consistent temperature profile accurate to O(Beta = v/c) is provided for the case in which the absorption or the scattering are temperature independent. The gray extinction temperature profile is considerably simplified in the case of a scattering atmosphere. Steady state flow and homologous expansion are special cases that are considered in detail.

An analytic solution of the radiative transfer equation for a gray scattering atmosphere in motion

NASA Technical Reports Server (NTRS)

Pistinner, Shlomi; Shaviv, Giora

1994-01-01

We provide a formal analytic solution of the radiative transfer equation for a gray moving atmosphere in a plane parallel geometry. A formal solution in the diffusion and the free-streaming limit is also provided in the case of a spherically extended atmosphere. The formal solutions are written explicitly for scattering atmospheres in which the density and the velocity fields are given by a power law. A self-consistent temperature profile accurate to O(Beta = v/c) is provided for the case in which the absorption or the scattering are temperature independent. The gray extinction temperature profile is considerably simplified in the case of a scattering atmosphere. Steady state flow and homologous expansion are special cases that are considered in detail.

Numerical solution of inverse scattering for near-field optics.

PubMed

Bao, Gang; Li, Peijun

2007-06-01

A novel regularized recursive linearization method is developed for a two-dimensional inverse medium scattering problem that arises in near-field optics, which reconstructs the scatterer of an inhomogeneous medium located on a substrate from data accessible through photon scanning tunneling microscopy experiments. Based on multiple frequency scattering data, the method starts from the Born approximation corresponding to weak scattering at a low frequency, and each update is obtained by continuation on the wavenumber from solutions of one forward problem and one adjoint problem of the Helmholtz equation.

Uniform GTD solution for the diffraction by metallic tapes on panelled compact-range reflectors

NASA Technical Reports Server (NTRS)

Somers, G. A.; Pathak, P. H.

1992-01-01

Metallic tape is commonly used to cover the interpanel gaps which occur in paneled compact-range reflectors. It is therefore of interest to study the effect of the scattering by the tape on the field in the target zone of the range. An analytical solution is presented for the target zone fields scattered by 2D metallic tapes. It is formulated by the generalized scattering matrix technique in conjunction with the Wiener-Hopf procedure. An extension to treat 3D tapes can be accomplished using the 2D solution via the equivalent current concept. The analytical solution is compared with a reference moment method solution to confirm the accuracy of the former.

Scattering from a cylindrical reflector: modified theory of physical optics solution.

PubMed

Yalçin, Ugur

2007-02-01

The problem of scattering from a perfectly conducting cylindrical reflector is examined with the method of the modified theory of physical optics. In this technique the physical optics currents are modified by using a variable unit vector on the scatterer's surface. These current components are obtained for the reflector, which is fed by an offset electric line source. The scattering integral is expressed by using these currents and evaluated asymptotically with the stationary phase method. The results are compared numerically by using physical optics theory, geometrical optics diffraction theory, and the exact solution of the Helmholtz equation. It is found that the modified theory of physical optics scattering field equations agrees with the geometrical optics diffraction theory and the exact solution of the Helmholtz equation.

On the Mathematical Modeling of Single and Multiple Scattering of Ultrasonic Guided Waves by Small Scatterers: A Structural Health Monitoring Measurement Model

NASA Astrophysics Data System (ADS)

Strom, Brandon William

In an effort to assist in the paradigm shift from schedule based maintenance to conditioned based maintenance, we derive measurement models to be used within structural health monitoring algorithms. Our models are physics based, and use scattered Lamb waves to detect and quantify pitting corrosion. After covering the basics of Lamb waves and the reciprocity theorem, we develop a technique for the scattered wave solution. The first application is two-dimensional, and is employed in two different ways. The first approach integrates a traction distribution and replaces it by an equivalent force. The second approach is higher order and uses the actual traction distribution. We find that the equivalent force version of the solution technique holds well for small pits at low frequencies. The second application is three-dimensional. The equivalent force caused by the scattered wave of an arbitrary equivalent force is calculated. We obtain functions for the scattered wave displacements as a function of equivalent forces, equivalent forces as a function of incident wave, and scattered wave amplitudes as a function of incident amplitude. The third application uses self-consistency to derive governing equations for the scattered waves due to multiple corrosion pits. We decouple the implicit set of equations and solve explicitly by using a recursive series solution. Alternatively, we solve via an undetermined coefficient method which results in an interaction operator and solution via matrix inversion. The general solution is given for N pits including mode conversion. We show that the two approaches are equivalent, and give a solution for three pits. Various approximations are advanced to simplify the problem while retaining the leading order physics. As a final application, we use the multiple scattering model to investigate resonance of Lamb waves. We begin with a one-dimensional problem and progress to a three-dimensional problem. A directed graph enables interpretation of the interaction operator, and we show that a series solution converges due to loss of energy in the system. We see that there are four causes of resonance and plot the modulation depth as a function of spacing between the pits.

Some examples of exact and approximate solutions in small particle scattering - A progress report

NASA Technical Reports Server (NTRS)

Greenberg, J. M.

1974-01-01

The formulation of basic equations from which the scattering of radiation by a localized variation in a medium is discussed. These equations are developed in both the differential and the integral form. Primary interest is in the scattering of electromagnetic waves for which the solution of the vector wave equation with appropriate boundary conditions must be considered. Scalar scattering by an infinite homogeneous isotropic circular cylinder, and scattering of electromagnetic waves by infinite circular cylinders are treated, and the case of the finite circular cylinder is considered. A procedure is given for obtaining angular scattering distributions from spheroids.

Numerical Model of Multiple Scattering and Emission from Layering Snowpack for Microwave Remote Sensing

NASA Astrophysics Data System (ADS)

Jin, Y.; Liang, Z.

2002-12-01

The vector radiative transfer (VRT) equation is an integral-deferential equation to describe multiple scattering, absorption and transmission of four Stokes parameters in random scatter media. From the integral formal solution of VRT equation, the lower order solutions, such as the first-order scattering for a layer medium or the second order scattering for a half space, can be obtained. The lower order solutions are usually good at low frequency when high-order scattering is negligible. It won't be feasible to continue iteration for obtaining high order scattering solution because too many folds integration would be involved. In the space-borne microwave remote sensing, for example, the DMSP (Defense Meterological Satellite Program) SSM/I (Special Sensor Microwave/Imager) employed seven channels of 19, 22, 37 and 85GHz. Multiple scattering from the terrain surfaces such as snowpack cannot be neglected at these channels. The discrete ordinate and eigen-analysis method has been studied to take into account for multiple scattering and applied to remote sensing of atmospheric precipitation, snowpack etc. Snowpack was modeled as a layer of dense spherical particles, and the VRT for a layer of uniformly dense spherical particles has been numerically studied by the discrete ordinate method. However, due to surface melting and refrozen crusts, the snowpack undergoes stratifying to form inhomegeneous profiles of the ice grain size, fractional volume and physical temperature etc. It becomes necessary to study multiple scattering and emission from stratified snowpack of dense ice grains. But, the discrete ordinate and eigen-analysis method cannot be simply applied to multi-layers model, because numerically solving a set of multi-equations of VRT is difficult. Stratifying the inhomogeneous media into multi-slabs and employing the first order Mueller matrix of each thin slab, this paper developed an iterative method to derive high orders scattering solutions of whole scatter media. High order scattering and emission from inhomogeneous stratifying media of dense spherical particles are numerically obtained. The brightness temperature at low frequency such as 5.3 GHz without high order scattering and at SSM/I channels with high order scattering are obtained. This approach is also compared with the conventional discrete ordinate method for an uniform layer model. Numerical simulation for inhomogeneous snowpack is also compared with the measurements of microwave remote sensing.

Thermodynamics of Hydrophobic Amino Acids in Solution: A Combined Experimental–Computational Study

DOE PAGES

Song, Lingshuang; Yang, Lin; Meng, Jie; ...

2016-12-29

Here, we present a joint experimental-computational study to quantitatively describe the thermodynamics of hydrophobic leucine amino acids in aqueous solution. X-ray scattering data were acquired at a series of solute and salt concentrations to effectively measure inter-leucine interactions, indicating that a major scattering peak is observed consistently at q = 0.83 Å -1. Atomistic molecular dynamics simulations were then performed and compared with the scattering data, achieving high consistency at both small and wider scattering angles (q = 0$-$1.5 Å -1). This experimental-computational consistence enables a first glimpse of the leucineleucine interacting landscape, where two leucine molecules are aligned mostlymore » in a parallel fashion, as opposed to anti-parallel, but also allows us to derive effective leucine-leucine interactions in solution. Collectively, this combined approach of employing experimental scattering and molecular simulation enables a quantitative characterization on effective inter-molecular interactions of hydrophobic amino acids, critical for protein function and dynamics such as protein folding.« less

Thermodynamics of Hydrophobic Amino Acids in Solution: A Combined Experimental–Computational Study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Song, Lingshuang; Yang, Lin; Meng, Jie

Here, we present a joint experimental-computational study to quantitatively describe the thermodynamics of hydrophobic leucine amino acids in aqueous solution. X-ray scattering data were acquired at a series of solute and salt concentrations to effectively measure inter-leucine interactions, indicating that a major scattering peak is observed consistently at q = 0.83 Å -1. Atomistic molecular dynamics simulations were then performed and compared with the scattering data, achieving high consistency at both small and wider scattering angles (q = 0$-$1.5 Å -1). This experimental-computational consistence enables a first glimpse of the leucineleucine interacting landscape, where two leucine molecules are aligned mostlymore » in a parallel fashion, as opposed to anti-parallel, but also allows us to derive effective leucine-leucine interactions in solution. Collectively, this combined approach of employing experimental scattering and molecular simulation enables a quantitative characterization on effective inter-molecular interactions of hydrophobic amino acids, critical for protein function and dynamics such as protein folding.« less

Inverse scattering method and soliton double solution family for the general symplectic gravity model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao Yajun

A previously established Hauser-Ernst-type extended double-complex linear system is slightly modified and used to develop an inverse scattering method for the stationary axisymmetric general symplectic gravity model. The reduction procedures in this inverse scattering method are found to be fairly simple, which makes the inverse scattering method applied fine and effective. As an application, a concrete family of soliton double solutions for the considered theory is obtained.

Time-domain imaging

NASA Technical Reports Server (NTRS)

Tolliver, C. L.

1989-01-01

The quest for the highest resolution microwave imaging and principle of time-domain imaging has been the primary motivation for recent developments in time-domain techniques. With the present technology, fast time varying signals can now be measured and recorded both in magnitude and in-phase. It has also enhanced our ability to extract relevant details concerning the scattering object. In the past, the interface of object geometry or shape for scattered signals has received substantial attention in radar technology. Various scattering theories were proposed to develop analytical solutions to this problem. Furthermore, the random inversion, frequency swept holography, and the synthetic radar imaging, have two things in common: (1) the physical optic far-field approximation, and (2) the utilization of channels as an extra physical dimension, were also advanced. Despite the inherent vectorial nature of electromagnetic waves, these scalar treatments have brought forth some promising results in practice with notable examples in subsurface and structure sounding. The development of time-domain techniques are studied through the theoretical aspects as well as experimental verification. The use of time-domain imaging for space robotic vision applications has been suggested.

Development of an ejecta particle size measurement diagnostic based on Mie scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schauer, Martin Michael; Buttler, William Tillman; Frayer, Daniel K.

The goal of this work is to determine the feasibility of extracting the size of particles ejected from shocked metal surfaces (ejecta) from the angular distribution of light scattered by a cloud of such particles. The basis of the technique is the Mie theory of scattering, and implicit in this approach are the assumptions that the scattering particles are spherical and that single scattering conditions prevail. The meaning of this latter assumption, as far as experimental conditions are concerned, will become clear later. The solution to Maxwell’s equations for spherical particles illuminated by a plane electromagnetic wave was derived bymore » Gustav Mie more than 100 years ago, but several modern treatises discuss this solution in great detail. The solution is a complicated series expansion of the scattered electric field, as well as the field within the particle, from which the total scattering and absorption cross sections as well as the angular distribution of scattered intensity can be calculated numerically. The detailed nature of the scattering is determined by the complex index of refraction of the particle material as well as the particle size parameter, x, which is the product of the wavenumber of the incident light and the particle radius, i.e. x = 2rπ= λ. Figure 1 shows the angular distribution of scattered light for different particle size parameters and two orthogonal incident light polarizations as calculated using the Mie solution. It is obvious that the scattering pattern is strongly dependent on the particle size parameter, becoming more forward-directed and less polarizationdependent as the particle size parameter increases. This trend forms the basis for the diagnostic design.« less

Anomalous Rayleigh scattering with dilute concentrations of elements of biological importance

NASA Astrophysics Data System (ADS)

Hugtenburg, Richard P.; Bradley, David A.

2004-01-01

The anomalous scattering factor (ASF) correction to the relativistic form-factor approximation for Rayleigh scattering is examined in support of its utilization in radiographic imaging. ASF corrected total cross-section data have been generated for a low resolution grid for the Monte Carlo code EGS4 for the biologically important elements, K, Ca, Mn, Fe, Cu and Zn. Points in the fixed energy grid used by EGS4 as well as 8 other points in the vicinity of the K-edge have been chosen to achieve an uncertainty in the ASF component of 20% according to the Thomas-Reiche-Kuhn sum rule and an energy resolution of 20 eV. Such data is useful for analysis of imaging with a quasi-monoenergetic source. Corrections to the sampled distribution of outgoing photons, due to ASF, are given and new total cross-section data including that of the photoelectric effect have been computed using the Slater exchange self-consistent potential with the Latter tail. A measurement of Rayleigh scattering in a dilute aqueous solution of manganese (II) was performed, this system enabling determination of the absolute cross-section, although background subtraction was necessary to remove K β fluorescence and resonant Raman scattering occurring within several 100 eV of the edge. Measurements confirm the presence of below edge bound-bound structure and variation in the structure due to the ionic state that are not currently included in tabulations.

Modeling ultrasonic transient scattering from biological tissues including their dispersive properties directly in the time domain.

PubMed

Norton, G V; Novarini, J C

2007-06-01

Ultrasonic imaging in medical applications involves propagation and scattering of acoustic waves within and by biological tissues that are intrinsically dispersive. Analytical approaches for modeling propagation and scattering in inhomogeneous media are difficult and often require extremely simplifying approximations in order to achieve a solution. To avoid such approximations, the direct numerical solution of the wave equation via the method of finite differences offers the most direct tool, which takes into account diffraction and refraction. It also allows for detailed modeling of the real anatomic structure and combination/layering of tissues. In all cases the correct inclusion of the dispersive properties of the tissues can make the difference in the interpretation of the results. However, the inclusion of dispersion directly in the time domain proved until recently to be an elusive problem. In order to model the transient signal a convolution operator that takes into account the dispersive characteristics of the medium is introduced to the linear wave equation. To test the ability of this operator to handle scattering from localized scatterers, in this work, two-dimensional numerical modeling of scattering from an infinite cylinder with physical properties associated with biological tissue is calculated. The numerical solutions are compared with the exact solution synthesized from the frequency domain for a variety of tissues having distinct dispersive properties. It is shown that in all cases, the use of the convolutional propagation operator leads to the correct solution for the scattered field.

Excitonic lasing in solution-processed subwavelength nanosphere assemblies

DOE PAGES

Appavoo, Kannatassen; Liu, Xiaoze; Menon, Vinod; ...

2016-02-03

Lasing in solution-processed nanomaterials has gained significant interest because of the potential for low-cost integrated photonic devices. Still, a key challenge is to utilize a comprehensive knowledge of the system’s spectral and temporal dynamics to design low-threshold lasing devices. Here, we demonstrate intrinsic lasing (without external cavity) at low-threshold in an ultrathin film of coupled, highly crystalline nanospheres with overall thickness on the order of ~λ/4. The cavity-free geometry consists of ~35 nm zinc oxide nanospheres that collectively localize the in-plane emissive light fields while minimizing scattering losses, resulting in excitonic lasing with fluence thresholds at least an order ofmore » magnitude lower than previous UV-blue random and quantum-dot lasers (<75 μJ/cm 2). Fluence-dependent effects, as quantified by subpicosecond transient spectroscopy, highlight the role of phonon-mediated processes in excitonic lasing. Subpicosecond evolution of distinct lasing modes, together with three-dimensional electromagnetic simulations, indicate a random lasing process, which is in violation of the commonly cited criteria of strong scattering from individual nanostructures and an optically thick sample. Subsequently, an electron–hole plasma mechanism is observed with increased fluence. Furthermore, these results suggest that coupled nanostructures with high crystallinity, fabricated by low-cost solution-processing methods, can function as viable building blocks for high-performance optoelectronics devices.« less

Online size-exclusion high-performance liquid chromatography light scattering and differential refractometry methods to determine degree of polymer conjugation to proteins and protein-protein or protein-ligand association states.

PubMed

Kendrick, B S; Kerwin, B A; Chang, B S; Philo, J S

2001-12-15

Characterizing the solution structure of protein-polymer conjugates and protein-ligand interactions is important in fields such as biotechnology and biochemistry. Size-exclusion high-performance liquid chromatography with online classical light scattering (LS), refractive index (RI), and UV detection offers a powerful tool in such characterization. Novel methods are presented utilizing LS, RI, and UV signals to rapidly determine the degree of conjugation and the molecular mass of the protein conjugate. Baseline resolution of the chromatographic peaks is not required; peaks need only be sufficiently separated to represent relatively pure fractions. An improved technique for determining the polypeptide-only mass of protein conjugates is also described. These techniques are applied to determining the degree of erythropoietin glycosylation, the degree of polyethylene glycol conjugation to RNase A and brain-derived neurotrophic factor, and the solution association states of these molecules. Calibration methods for the RI, UV, and LS detectors will also be addressed, as well as online methods to determine protein extinction coefficients and dn/dc values both unconjugated and conjugated protein molecules. (c)2001 Elsevier Science.

The Prediction and Analysis of Jet Flows and Scattered Turbulent Mixing Noise about Flight Vehicle Airframes

NASA Technical Reports Server (NTRS)

Miller, Steven A. E.

2014-01-01

Jet flows interacting with nearby surfaces exhibit a complex behavior in which acoustic and aerodynamic characteristics are altered. The physical understanding and prediction of these characteristics are essential to designing future low noise aircraft. A new approach is created for predicting scattered jet mixing noise that utilizes an acoustic analogy and steady Reynolds-averaged Navier-Stokes solutions. A tailored Green's function accounts for the propagation of mixing noise about the airframe and is calculated numerically using a newly developed ray tracing method. The steady aerodynamic statistics, associated unsteady sound source, and acoustic intensity are examined as jet conditions are varied about a large flat plate. A non-dimensional number is proposed to estimate the effect of the aerodynamic noise source relative to jet operating condition and airframe position.The steady Reynolds-averaged Navier-Stokes solutions, acoustic analogy, tailored Green's function, non-dimensional number, and predicted noise are validated with a wide variety of measurements. The combination of the developed theory, ray tracing method, and careful implementation in a stand-alone computer program result in an approach that is more first principles oriented than alternatives, computationally efficient, and captures the relevant physics of fluid-structure interaction.

The Prediction and Analysis of Jet Flows and Scattered Turbulent Mixing Noise About Flight Vehicle Airframes

NASA Technical Reports Server (NTRS)

Miller, Steven A.

2014-01-01

Jet flows interacting with nearby surfaces exhibit a complex behavior in which acoustic and aerodynamic characteristics are altered. The physical understanding and prediction of these characteristics are essential to designing future low noise aircraft. A new approach is created for predicting scattered jet mixing noise that utilizes an acoustic analogy and steady Reynolds-averaged Navier-Stokes solutions. A tailored Green's function accounts for the propagation of mixing noise about the air-frame and is calculated numerically using a newly developed ray tracing method. The steady aerodynamic statistics, associated unsteady sound source, and acoustic intensity are examined as jet conditions are varied about a large at plate. A non-dimensional number is proposed to estimate the effect of the aerodynamic noise source relative to jet operating condition and airframe position. The steady Reynolds-averaged Navier-Stokes solutions, acoustic analogy, tailored Green's function, non- dimensional number, and predicted noise are validated with a wide variety of measurements. The combination of the developed theory, ray tracing method, and careful implementation in a stand-alone computer program result in an approach that is more first principles oriented than alternatives, computationally efficient, and captures the relevant physics of fluid-structure interaction.

The exact solution of a four-body Coulomb problem

NASA Astrophysics Data System (ADS)

Ray, Hasi

2018-03-01

The elastic collision between two H-like atoms utilizing an ab initio static-exchange model (SEM) in the center of mass (CM) frame considering the system as a four-body Coulomb problem where all the Coulomb interaction terms in the direct and exchange channels are treated exactly, is studied thoroughly. A coupled-channel methodology in momentum space is used to solve Lippman-Schwinger equation following the integral approach. The new SEM code [Ray, Pramana 83, 907 (2014)] in which the Born-Oppenheimer (BO) scattering amplitude acts as input to derive the SEM amplitude using partial wave analysis, is utilized to study the s-, p-, d-wave elastic phase shifts and the corresponding partial cross sections. An augmented-Born approximation is used to include the contribution of higher partial waves more accurately to determine the total/integrated elastic cross sections. The effective range theory is used to determine the scattering lengths and effective ranges in the s-wave elastic scattering. The systems studied are Ps-Ps, Ps-Mu, Ps-H, Ps-D, Ps-T, Mu-Mu, Mu-H, Mu-D, Mu-T, H-H, H-D, H-T, D-D, D-T, T-T. The SEM includes the non-adiabatic short-range effects due to exchange. The MSEM code [Ray, Pramana 83, 907 (2014)] is used to study the effect of the long-range van der Waals interaction due to induced dipole polarizabilities of the atoms in H(1s)-H(1s) elastic collision. The dependence of scattering length on the reduced mass of the system and the dependence of scattering length on the strength of long-range van der Waals interaction that varies with the minimum interatomic distance are observed. Contribution to the Topical Issue "Low Energy Positron and Electron Interactions", edited by James Sullivan, Ron White, Michael Bromley, Ilya Fabrikant, and David Cassidy.

Derivation of phase functions from multiply scattered sunlight transmitted through a hazy atmosphere

NASA Technical Reports Server (NTRS)

Weinman, J. A.; Twitty, J. T.; Browning, S. R.; Herman, B. M.

1975-01-01

The intensity of sunlight multiply scattered in model atmospheres is derived from the equation of radiative transfer by an analytical small-angle approximation. The approximate analytical solutions are compared to rigorous numerical solutions of the same problem. Results obtained from an aerosol-laden model atmosphere are presented. Agreement between the rigorous and the approximate solutions is found to be within a few per cent. The analytical solution to the problem which considers an aerosol-laden atmosphere is then inverted to yield a phase function which describes a single scattering event at small angles. The effect of noisy data on the derived phase function is discussed.

Probing Nanoscale Thermal Transport in Surfactant Solutions

PubMed Central

Cao, Fangyu; Liu, Ying; Xu, Jiajun; He, Yadong; Hammouda, B.; Qiao, Rui; Yang, Bao

2015-01-01

Surfactant solutions typically feature tunable nanoscale, internal structures. Although rarely utilized, they can be a powerful platform for probing thermal transport in nanoscale domains and across interfaces with nanometer-size radius. Here, we examine the structure and thermal transport in solution of AOT (Dioctyl sodium sulfosuccinate) in n-octane liquids using small-angle neutron scattering, thermal conductivity measurements, and molecular dynamics simulations. We report the first experimental observation of a minimum thermal conductivity occurring at the critical micelle concentration (CMC): the thermal conductivity of the surfactant solution decreases as AOT is added till the onset of micellization but increases as more AOT is added. The decrease of thermal conductivity with AOT loading in solutions in which AOT molecules are dispersed as monomers suggests that even the interfaces between individual oleophobic headgroup of AOT molecules and their surrounding non-polar octane molecules can hinder heat transfer. The increase of thermal conductivity with AOT loading after the onset of micellization indicates that the thermal transport in the core of AOT micelles and across the surfactant-oil interfaces, both of which span only a few nanometers, are efficient. PMID:26534840

Scattering of elastic waves by a spheroidal inclusion

NASA Astrophysics Data System (ADS)

Johnson, Lane R.

2018-03-01

An analytical solution is presented for scattering of elastic waves by prolate and oblate spheroidal inclusions. The problem is solved in the frequency domain where separation of variables leads to a solution involving spheroidal wave functions of the angular and radial kind. Unlike the spherical problem, the boundary equations remain coupled with respect to one of the separation indices. Expanding the angular spheroidal wave functions in terms of associated Legendre functions and using their orthogonality properties leads to a set of linear equations that can be solved to simultaneously obtain solutions for all coupled modes of both scattered and interior fields. To illustrate some of the properties of the spheroidal solution, total scattering cross-sections for P, SV and SH plane waves incident at an oblique angle on a prolate spheroid, an oblate spheroid and a sphere are compared. The waveforms of the scattered field exterior to the inclusion are calculated for these same incident waves. The waveforms scattered by a spheroid are strongly dependent upon the angle of incidence, are different for incident SV and SH waves and are asymmetrical about the centre of the spheroid with the asymmetry different for prolate and oblate spheroids.

Molar mass, radius of gyration and second virial coefficient from new static light scattering equations for dilute solutions: application to 21 (macro)molecules.

PubMed

Illien, Bertrand; Ying, Ruifeng

2009-05-11

New static light scattering (SLS) equations for dilute binary solutions are derived. Contrarily to the usual SLS equations [Carr-Zimm (CZ)], the new equations have no need for the experimental absolute Rayleigh ratio of a reference liquid and solely rely on the ratio of scattered intensities of solutions and solvent. The new equations, which are based on polarizability equations, take into account the usual refractive index increment partial differential n/partial differential rho(2) complemented by the solvent specific polarizability and a term proportional to the slope of the solution density rho versus the solute mass concentration rho(2) (density increment). Then all the equations are applied to 21 (macro)molecules with a wide range of molar mass (0.2500 kg mol(-1)), for which the scattered intensity is no longer independent of the scattering angle, the new equations give the same value of the radius of gyration as the CZ equation and consistent values of the second virial coefficient.

Fine-filter method for Raman lidar based on wavelength division multiplexing and fiber Bragg grating.

PubMed

Wang, Jun; Zheng, Jiao; Lu, Hong; Yan, Qing; Wang, Li; Liu, Jingjing; Hua, Dengxin

2017-11-01

Atmospheric temperature is one of the important parameters for the description of the atmospheric state. Most of the detection approaches to atmospheric temperature monitoring are based on rotational Raman scattering for better understanding atmospheric dynamics, thermodynamics, atmospheric transmission, and radiation. In this paper, we present a fine-filter method based on wavelength division multiplexing, incorporating a fiber Bragg grating in the visible spectrum for the rotational Raman scattering spectrum. To achieve high-precision remote sensing, the strong background noise is filtered out by using the secondary cascaded light paths. Detection intensity and the signal-to-noise ratio are improved by increasing the utilization rate of return signal form atmosphere. Passive temperature compensation is employed to reduce the temperature sensitivity of fiber Bragg grating. In addition, the proposed method provides a feasible solution for the filter system with the merits of miniaturization, high anti-interference, and high stability in the space-based platform.

Worldsheet scattering in AdS3/CFT2

NASA Astrophysics Data System (ADS)

Sundin, Per; Wulff, Linus

2013-07-01

We confront the recently proposed exact S-matrices for AdS 3/ CFT 2 with direct worldsheet calculations. Utilizing the BMN and Near Flat Space (NFS) expansions for strings on AdS 3 × S 3 × S 3 × S 1 and AdS 3 × S 3 × T 4 we compute both tree-level and one-loop scattering amplitudes. Up to some minor issues we find nice agreement in the tree-level sector. At the one-loop level however we find that certain non-zero tree-level processes, which are not visible in the exact solution, contribute, via the optical theorem, and give an apparent mismatch for certain amplitudes. Furthermore we find that a proposed one-loop modification of the dressing phase correctly reproduces the worldsheet calculation while the standard Hernandez-Lopez phase does not. We also compute several massless to massless processes.

A solution of the monoenergetic neutral particle transport equation for adjacent half-spaces with anisotropic scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ganapol, B.D., E-mail: ganapol@cowboy.ame.arizona.edu; Mostacci, D.; Previti, A.

2016-07-01

We present highly accurate solutions to the neutral particle transport equation in a half-space. While our initial motivation was in response to a recently published solution based on Chandrasekhar's H-function, the presentation to follow has taken on a more comprehensive tone. The solution by H-functions certainly did achieved high accuracy but was limited to isotropic scattering and emission from spatially uniform and linear sources. Moreover, the overly complicated nature of the H-function approach strongly suggests that its extension to anisotropic scattering and general sources is not at all practical. For this reason, an all encompassing theory for the determination ofmore » highly precise benchmarks, including anisotropic scattering for a variety of spatial source distributions, is presented for particle transport in a half-space. We illustrate the approach via a collection of cases including tables of 7-place flux benchmarks to guide transport methods developers. The solution presented can be applied to a considerable number of one and two half-space transport problems with variable sources and represents a state-of-the-art benchmark solution.« less

Quasielastic small-angle neutron scattering from heavy water solutions of cyclodextrins

NASA Astrophysics Data System (ADS)

Kusmin, André; Lechner, Ruep E.; Saenger, Wolfram

2011-01-01

We present a model for quasielastic neutron scattering (QENS) by an aqueous solution of compact and inflexible molecules. This model accounts for time-dependent spatial pair correlations between the atoms of the same as well as of distinct molecules and includes all coherent and incoherent neutron scattering contributions. The extension of the static theory of the excluded volume effect [A. K. Soper, J. Phys.: Condens. Matter 9, 2399 (1997)] to the time-dependent (dynamic) case allows us to obtain simplified model expressions for QENS spectra in the low Q region in the uniform fluid approximation. The resulting expressions describe the quasielastic small-angle neutron scattering (QESANS) spectra of D _2O solutions of native and methylated cyclodextrins well, yielding in particular translational and rotational diffusion coefficients of these compounds in aqueous solution. Finally, we discuss the full potential of the QESANS analysis (that is, beyond the uniform fluid approximation), in particular, the information on solute-solvent interactions (e.g., hydration shell properties) that such an analysis can provide, in principle.

Controllable asymmetric transmission via gap-tunable acoustic metasurface

NASA Astrophysics Data System (ADS)

Liu, Bingyi; Jiang, Yongyuan

2018-04-01

In this work, we utilize the acoustic gradient metasurface (AGM) of a bilayer configuration to realize the controllable asymmetric transmission. Relying on the adjustable gap between the two composing layers, the metasurface could switch from symmetric transmission to asymmetric transmission at a certain gap value. The underlying mechanism is attributed to the interference between the forward diffracted waves scattered by the surface bound waves at two air-AGM interfaces, which is apparently influenced by the interlayer distance. We further utilize the hybrid acoustic elements to construct the desired gradient metasurface with a tunable gap and validate the controllable asymmetric transmission with full-wave simulations. Our work provides the solution for actively controlling the transmission property of an acoustic element, which shows potential application in acoustic communication as a dynamic tunable acoustic diode.

Separation of variables solution for non-linear radiative cooling

NASA Technical Reports Server (NTRS)

Siegel, Robert

1987-01-01

A separation of variables solution has been obtained for transient radiative cooling of an absorbing-scattering plane layer. The solution applies after an initial transient period required for adjustment of the temperature and scattering source function distributions. The layer emittance, equal to the instantaneous heat loss divided by the fourth power of the instantaneous mean temperature, becomes constant. This emittance is a function of only the optical thickness of the layer and the scattering albedo; its behavior as a function of these quantities is considerably different than for a layer at constant temperature.

Non-label bioimaging utilizing scattering lights

NASA Astrophysics Data System (ADS)

Watanabe, Tomonobu M.; Ichimura, Taro; Fujita, Hideaki

2017-04-01

Optical microscopy is an indispensable tool for medical and life sciences. Especially, the microscopes utilized with scattering light offer a detailed internal observation of living specimens in real time because of their non-labeling and non-invasive capability. We here focus on two kinds of scattering lights, Raman scattering light and second harmonic generation light. Raman scattering light includes the information of all the molecular vibration modes of the molecules, and can be used to distinguish types and/or state of cell. Second harmonic generation light is derived from electric polarity of proteins in the specimen, and enables to detect their structural change. In this conference, we would like to introduce our challenges to extract biological information from those scattering lights.

Differential dynamic microscopy of weakly scattering and polydisperse protein-rich clusters

NASA Astrophysics Data System (ADS)

Safari, Mohammad S.; Vorontsova, Maria A.; Poling-Skutvik, Ryan; Vekilov, Peter G.; Conrad, Jacinta C.

2015-10-01

Nanoparticle dynamics impact a wide range of biological transport processes and applications in nanomedicine and natural resource engineering. Differential dynamic microscopy (DDM) was recently developed to quantify the dynamics of submicron particles in solutions from fluctuations of intensity in optical micrographs. Differential dynamic microscopy is well established for monodisperse particle populations, but has not been applied to solutions containing weakly scattering polydisperse biological nanoparticles. Here we use bright-field DDM (BDDM) to measure the dynamics of protein-rich liquid clusters, whose size ranges from tens to hundreds of nanometers and whose total volume fraction is less than 10-5. With solutions of two proteins, hemoglobin A and lysozyme, we evaluate the cluster diffusion coefficients from the dependence of the diffusive relaxation time on the scattering wave vector. We establish that for weakly scattering populations, an optimal thickness of the sample chamber exists at which the BDDM signal is maximized at the smallest sample volume. The average cluster diffusion coefficient measured using BDDM is consistently lower than that obtained from dynamic light scattering at a scattering angle of 90∘. This apparent discrepancy is due to Mie scattering from the polydisperse cluster population, in which larger clusters preferentially scatter more light in the forward direction.

Opal-like Multicolor Appearance of Self-Assembled Photonic Array.

PubMed

Arnon, Zohar A; Pinotsi, Dorothea; Schmidt, Matthias; Gilead, Sharon; Guterman, Tom; Sadhanala, Aditya; Ahmad, Shahab; Levin, Aviad; Walther, Paul; Kaminski, Clemens F; Fändrich, Marcus; Kaminski Schierle, Gabriele S; Adler-Abramovich, Lihi; Shimon, Linda J W; Gazit, Ehud

2018-06-20

Molecular self-assembly of short peptide building blocks leads to the formation of various material architectures that may possess unique physical properties. Recent studies had confirmed the key role of biaromaticity in peptide self-assembly, with the diphenylalanine (FF) structural family as an archetypal model. Another significant direction in the molecular engineering of peptide building blocks is the use of fluorenylmethoxycarbonyl (Fmoc) modification, which promotes the assembly process and may result in nanostructures with distinctive features and macroscopic hydrogel with supramolecular features and nanoscale order. Here, we explored the self-assembly of the protected, noncoded fluorenylmethoxycarbonyl-β,β-diphenyl-Ala-OH (Fmoc-Dip) amino acid. This process results in the formation of elongated needle-like crystals with notable aromatic continuity. By altering the assembly conditions, arrays of spherical particles were formed that exhibit strong light scattering. These arrays display vivid coloration, strongly resembling the appearance of opal gemstones. However, unlike the Rayleigh scattering effect produced by the arrangement of opal, the described optical phenomenon is attributed to Mie scattering. Moreover, by controlling the solution evaporation rate, i.e., the assembly kinetics, we were able to manipulate the resulting coloration. This work demonstrates a bottom-up approach, utilizing self-assembly of a protected amino acid minimal building block, to create arrays of organic, light-scattering colorful surfaces.

Coupling a versatile aerosol apparatus to a synchrotron: Vacuum ultraviolet light scattering, photoelectron imaging, and fragment free mass spectrometry

NASA Astrophysics Data System (ADS)

Shu, Jinian; Wilson, Kevin R.; Ahmed, Musahid; Leone, Stephen R.

2006-04-01

An aerosol apparatus has been coupled to the Chemical Dynamics Beamline of the Advanced Light Source at Lawrence Berkeley National Laboratory. This apparatus has multiple capabilities for aerosol studies, including vacuum ultraviolet (VUV) light scattering, photoelectron imaging, and mass spectroscopy of aerosols. By utilizing an inlet system consisting of a 200μm orifice nozzle and aerodynamic lenses, aerosol particles of ˜50nm-˜1μm in diameter can be sampled directly from atmospheric pressure. The machine is versatile and can probe carbonaceous aerosols generated by a laboratory flame, nebulized solutions of biological molecules, hydrocarbon aerosol reaction products, and synthesized inorganic nanoparticles. The sensitivity of this apparatus is demonstrated by the detection of nanoparticles with VUV light scattering, photoelectron imaging, and charged particle detection. In addition to the detection of nanoparticles, the thermal vaporization of aerosols on a heater tip leads to the generation of intact gas phase molecules. This phenomenon coupled to threshold single photon ionization, accessible with tunable VUV light, allows for fragment-free mass spectrometry of complex molecules. The initial experiments with light scattering, photoelectron imaging, and aerosol mass spectrometry reported here serve as a demonstration of the design philosophy and multiple capabilities of the apparatus.

A fast and well-conditioned spectral method for singular integral equations

NASA Astrophysics Data System (ADS)

Slevinsky, Richard Mikael; Olver, Sheehan

2017-03-01

We develop a spectral method for solving univariate singular integral equations over unions of intervals by utilizing Chebyshev and ultraspherical polynomials to reformulate the equations as almost-banded infinite-dimensional systems. This is accomplished by utilizing low rank approximations for sparse representations of the bivariate kernels. The resulting system can be solved in O (m2 n) operations using an adaptive QR factorization, where m is the bandwidth and n is the optimal number of unknowns needed to resolve the true solution. The complexity is reduced to O (mn) operations by pre-caching the QR factorization when the same operator is used for multiple right-hand sides. Stability is proved by showing that the resulting linear operator can be diagonally preconditioned to be a compact perturbation of the identity. Applications considered include the Faraday cage, and acoustic scattering for the Helmholtz and gravity Helmholtz equations, including spectrally accurate numerical evaluation of the far- and near-field solution. The JULIA software package SingularIntegralEquations.jl implements our method with a convenient, user-friendly interface.

Use of the reciprocity theorem for a closed form solution of scattering of the lowest axially symmetric torsional wave mode by a defect in a pipe.

PubMed

Lee, Jaesun; Achenbach, Jan D; Cho, Younho

2018-03-01

Guided waves can effectively be used for inspection of large scale structures. Surface corrosion is often found as major defect type in large scale structures such as pipelines. Guided wave interaction with surface corrosion can provide useful information for sizing and classification. In this paper, the elastodynamic reciprocity theorem is used to formulate and solve complicated scattering problems in a simple manner. The approach has already been applied to scattering of Rayleigh and Lamb waves by defects to produce closed form solutions of amplitude of scattered waves. In this paper, the scattering of the lowest axially symmetric torsional mode, which is widely used in commercial applications, is analyzed by the reciprocity theorem. In the present paper, the theorem is used to determine the scattering of the lowest torsional mode by a tapered defect that was earlier considered experimentally and numerically by the finite element method. It is shown that by the presented method it is simple to obtain the ratio of amplitudes of scattered torsional modes for a tapered notch. The results show a good agreement with earlier numerical results. The wave field superposition technique in conjunction with the reciprocity theorem simplifies the solution of the scattering problem to yield a closed form solution which can play a significant role in quantitative signal interpretation. Copyright © 2017 Elsevier B.V. All rights reserved.

Simplified multiple scattering model for radiative transfer in turbid water

NASA Technical Reports Server (NTRS)

Ghovanlou, A. H.; Gupta, G. N.

1978-01-01

Quantitative analytical procedures for relating selected water quality parameters to the characteristics of the backscattered signals, measured by remote sensors, require the solution of the radiative transport equation in turbid media. Presented is an approximate closed form solution of this equation and based on this solution, the remote sensing of sediments is discussed. The results are compared with other standard closed form solutions such as quasi-single scattering approximations.

Angular correlations of photons from solution diffraction at a free-electron laser encode molecular structure

DOE PAGES

Mendez, Derek; Watkins, Herschel; Qiao, Shenglan; ...

2016-09-26

During X-ray exposure of a molecular solution, photons scattered from the same molecule are correlated. If molecular motion is insignificant during exposure, then differences in momentum transfer between correlated photons are direct measurements of the molecular structure. In conventional small- and wide-angle solution scattering, photon correlations are ignored. This report presents advances in a new biomolecular structural analysis technique, correlated X-ray scattering (CXS), which uses angular intensity correlations to recover hidden structural details from molecules in solution. Due to its intense rapid pulses, an X-ray free electron laser (XFEL) is an excellent tool for CXS experiments. A protocol is outlinedmore » for analysis of a CXS data set comprising a total of half a million X-ray exposures of solutions of small gold nanoparticles recorded at the Spring-8 Ångström Compact XFEL facility (SACLA). From the scattered intensities and their correlations, two populations of nanoparticle domains within the solution are distinguished: small twinned, and large probably non-twinned domains. Finally, it is shown analytically how, in a solution measurement, twinning information is only accessible via intensity correlations, demonstrating how CXS reveals atomic-level information from a disordered solution of like molecules.« less

Investigation of the structure of unilamellar dimyristoylphosphatidylcholine vesicles in aqueous sucrose solutions by small-angle neutron and X-ray scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kiselev, M. A., E-mail: elena@jinr.ru; Zemlyanaya, E. V.; Zhabitskaya, E. I.

2015-01-15

The structure of a polydispersed population of unilamellar dimyristoylphosphatidylcholine (DMPC) vesicles in sucrose solutions has been investigated by small-angle neutron scattering (SANS) and small-angle X-ray scattering (SAXS). Calculations within the model of separated form factors (SFF) show that the structure of the vesicle system depends strongly on the sucrose concentration.

Acoustic and electromagnetic wave interaction in the detection and identification of buried objects

NASA Astrophysics Data System (ADS)

Lawrence, Daniel Edward

2002-09-01

In order to facilitate the development of a hybrid acoustic and electromagnetic (EM) system for buried object detection, a number of analytical solutions and a novel numerical technique are developed to analyze the complex interaction between acoustic and EM scattering. The essence of the interaction lies in the fact that identifiable acoustic properties of an object, such as acoustic resonances, can be observed in the scattered EM Doppler spectrum. Using a perturbation approach, analytical solutions are derived for the EM scattering from infinitely long circular cylinders, both metallic and dielectric, under acoustic vibration in a homogeneous background medium. Results indicate that both the shape variation and dielectric constant contribute to the scattered EM Doppler spectrum. To model the effect of a cylinder beneath an acoustically excited half-space, a new analytical solution is presented for EM scattering from a cylinder beneath a slightly rough surface. The solution is achieved by using plane-wave expansion of the fields and an iterative technique to account for the multiple interactions between the cylinder and rough surface. Following a similar procedure, a novel solution for elastic-wave scattering from a solid cylinder embedded in a solid half-space is developed and used to calculate the surface displacement. Simulations indicate that only a finite range of spatial surface frequencies, corresponding to surface roughness on the order of the EM wavelength; affect the EM scattering from buried objects and suggest that object detection can be improved if the acoustic excitation induces surface roughness outside this range. To extend the study to non-canonical scenarios, a novel numerical approach is introduced in which time-varying impedance boundary conditions (IBCs) are used in conjunction with the method of moments (MoM) to model the EM scattering from vibrating metallic objects of arbitrary shape. It is shown that the standard IBC provides a first order solution for TM polarization, but a second order IBC is needed for TE polarization. The crucial factor in the calculation of the potentially small Doppler components is that the time-varying nature of the cylinder boundary, contained within the surface impedance expressions, can be isolated from the unperturbed terms in the scattered field.

Reliable structural interpretation of small-angle scattering data from bio-molecules in solution--the importance of quality control and a standard reporting framework.

PubMed

Jacques, David A; Guss, Jules Mitchell; Trewhella, Jill

2012-05-17

Small-angle scattering is becoming an increasingly popular tool for the study of bio-molecular structures in solution. The large number of publications with 3D-structural models generated from small-angle solution scattering data has led to a growing consensus for the need to establish a standard reporting framework for their publication. The International Union of Crystallography recently established a set of guidelines for the necessary information required for the publication of such structural models. Here we describe the rationale for these guidelines and the importance of standardising the way in which small-angle scattering data from bio-molecules and associated structural interpretations are reported.

Radiative transfer equation accounting for rotational Raman scattering and its solution by the discrete-ordinates method

NASA Astrophysics Data System (ADS)

Rozanov, Vladimir V.; Vountas, Marco

2014-01-01

Rotational Raman scattering of solar light in Earth's atmosphere leads to the filling-in of Fraunhofer and telluric lines observed in the reflected spectrum. The phenomenological derivation of the inelastic radiative transfer equation including rotational Raman scattering is presented. The different forms of the approximate radiative transfer equation with first-order rotational Raman scattering terms are obtained employing the Cabannes, Rayleigh, and Cabannes-Rayleigh scattering models. The solution of these equations is considered in the framework of the discrete-ordinates method using rigorous and approximate approaches to derive particular integrals. An alternative forward-adjoint technique is suggested as well. A detailed description of the model including the exact spectral matching and a binning scheme that significantly speeds up the calculations is given. The considered solution techniques are implemented in the radiative transfer software package SCIATRAN and a specified benchmark setup is presented to enable readers to compare with own results transparently.

Obtaining the Bidirectional Transfer Distribution Function ofIsotropically Scattering Materials Using an Integrating Sphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jonsson, Jacob C.; Branden, Henrik

2006-10-19

This paper demonstrates a method to determine thebidirectional transfer distribution function (BTDF) using an integratingsphere. Information about the sample's angle dependent scattering isobtained by making transmittance measurements with the sample atdifferent distances from the integrating sphere. Knowledge about theilluminated area of the sample and the geometry of the sphere port incombination with the measured data combines to an system of equationsthat includes the angle dependent transmittance. The resulting system ofequations is an ill-posed problem which rarely gives a physical solution.A solvable system is obtained by using Tikhonov regularization on theill-posed problem. The solution to this system can then be usedmore » to obtainthe BTDF. Four bulk-scattering samples were characterised using both twogoniophotometers and the described method to verify the validity of thenew method. The agreement shown is great for the more diffuse samples.The solution to the low-scattering samples contains unphysicaloscillations, butstill gives the correct shape of the solution. Theorigin of the oscillations and why they are more prominent inlow-scattering samples are discussed.« less

Accurate small and wide angle x-ray scattering profiles from atomic models of proteins and nucleic acids

NASA Astrophysics Data System (ADS)

Nguyen, Hung T.; Pabit, Suzette A.; Meisburger, Steve P.; Pollack, Lois; Case, David A.

2014-12-01

A new method is introduced to compute X-ray solution scattering profiles from atomic models of macromolecules. The three-dimensional version of the Reference Interaction Site Model (RISM) from liquid-state statistical mechanics is employed to compute the solvent distribution around the solute, including both water and ions. X-ray scattering profiles are computed from this distribution together with the solute geometry. We describe an efficient procedure for performing this calculation employing a Lebedev grid for the angular averaging. The intensity profiles (which involve no adjustable parameters) match experiment and molecular dynamics simulations up to wide angle for two proteins (lysozyme and myoglobin) in water, as well as the small-angle profiles for a dozen biomolecules taken from the BioIsis.net database. The RISM model is especially well-suited for studies of nucleic acids in salt solution. Use of fiber-diffraction models for the structure of duplex DNA in solution yields close agreement with the observed scattering profiles in both the small and wide angle scattering (SAXS and WAXS) regimes. In addition, computed profiles of anomalous SAXS signals (for Rb+ and Sr2+) emphasize the ionic contribution to scattering and are in reasonable agreement with experiment. In cases where an absolute calibration of the experimental data at q = 0 is available, one can extract a count of the excess number of waters and ions; computed values depend on the closure that is assumed in the solution of the Ornstein-Zernike equations, with results from the Kovalenko-Hirata closure being closest to experiment for the cases studied here.

Neutron scattering for the analysis of biological structures. Brookhaven symposia in biology. Number 27

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schoenborn, B P

1976-01-01

Sessions were included on neutron scattering and biological structure analysis, protein crystallography, neutron scattering from oriented systems, solution scattering, preparation of deuterated specimens, inelastic scattering, data analysis, experimental techniques, and instrumentation. Separate entries were made for the individual papers.

A SERS-based pH sensor utilizing 3-amino-5-mercapto-1,2,4-triazole functionalized Ag nanoparticles.

PubMed

Piotrowski, Piotr; Wrzosek, Beata; Królikowska, Agata; Bukowska, Jolanta

2014-03-07

We report the first use of 3-amino-5-mercapto-1,2,4-triazole (AMT) to construct a surface-enhanced Raman scattering (SERS) based pH nano- and microsensor, utilizing silver nanoparticles. We optimize the procedure of homogenous attachment of colloidal silver to micrometer-sized silica beads via an aminosilane linker. Such micro-carriers are potential optically trappable SERS microprobes. It is demonstrated that the SERS spectrum of AMT is strongly dependent on the pH of the surroundings, as the transformation between two different adsorption modes, upright (A form) and lying flat (B form) orientation, is provoked by pH variation. The possibility of tuning the nanosensor working range by changing the concentration of AMT in the surrounding solution is demonstrated. A strong correlation between the pH response of the nanosensor and the AMT concentration in solution is found to be controlled by the interactions between the surface and solution molecules. In the absence of the AMT monomer, the performance of both the nano- and microsensor is shifted substantially to the strongly acidic pH range, from 1.5 to 2.5 and from 1.0 to 2.0, respectively, which is quite unique even for SERS-based sensors.

Thermoreversible Morphology and Conductivity of a Conjugated Polymer Network Embedded in Block Copolymer Self-Assemblies

DOE PAGES

Han, Youngkyu; Carrillo, Jan-Michael Y.; Zhang, Zhe; ...

2016-07-19

Self-assembly of block copolymers provides numerous opportunities to create functional materials, utilizing self-assembled microdomains with a variety of morphology and periodic architectures as templates for functional nanofillers. Here new progress is reported toward the fabrication of thermally responsive and electrically conductive polymeric self-assemblies made from a water-soluble poly(thiophene) derivative with short poly(ethylene oxide) side chains and Pluronic L62 block copolymer solution in water. The structural and electrical properties of conjugated polymer-embedded self-assembled architectures are investigated by combining small-angle neutron and X-ray scattering, coarse-grained molecular dynamics simulations, and impedance spectroscopy. The L62 solution template organizes the conjugated polymers by stably incorporatingmore » them into the hydrophilic domains thus inhibiting aggregation. The changing morphology of L62 during the micellarto- lamellar phase transition defines the embedded conjugated polymer network. As a result, the conductivity is strongly coupled to the structural change of the templating L62 phase and exhibits thermally reversible behavior with no signs of quenching of the conductivity at high temperature. In conclusion, this study shows promise for enabling more flexibility in processing and utilizing water-soluble conjugated polymers in aqueous solutions for self-assembly based fabrication of stimuli-responsive nanostructures and sensory materials.« less

Thermoreversible Morphology and Conductivity of a Conjugated Polymer Network Embedded in Block Copolymer Self-Assemblies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Han, Youngkyu; Carrillo, Jan-Michael Y.; Zhang, Zhe

Self-assembly of block copolymers provides numerous opportunities to create functional materials, utilizing self-assembled microdomains with a variety of morphology and periodic architectures as templates for functional nanofillers. Here new progress is reported toward the fabrication of thermally responsive and electrically conductive polymeric self-assemblies made from a water-soluble poly(thiophene) derivative with short poly(ethylene oxide) side chains and Pluronic L62 block copolymer solution in water. The structural and electrical properties of conjugated polymer-embedded self-assembled architectures are investigated by combining small-angle neutron and X-ray scattering, coarse-grained molecular dynamics simulations, and impedance spectroscopy. The L62 solution template organizes the conjugated polymers by stably incorporatingmore » them into the hydrophilic domains thus inhibiting aggregation. The changing morphology of L62 during the micellarto- lamellar phase transition defines the embedded conjugated polymer network. As a result, the conductivity is strongly coupled to the structural change of the templating L62 phase and exhibits thermally reversible behavior with no signs of quenching of the conductivity at high temperature. In conclusion, this study shows promise for enabling more flexibility in processing and utilizing water-soluble conjugated polymers in aqueous solutions for self-assembly based fabrication of stimuli-responsive nanostructures and sensory materials.« less

Detecting a subsurface cylinder by a Time Reversal MUSIC like method

NASA Astrophysics Data System (ADS)

Solimene, Raffaele; Dell'Aversano, Angela; Leone, Giovanni

2014-05-01

In this contribution the problem of imaging a buried homogeneous circular cylinder is dealt with for a two-dimensional scalar geometry. Though the addressed geometry is extremely simple as compared to real world scenarios, it can be considered of interest for a classical GPR civil engineering applicative context: that is the subsurface prospecting of urban area in order to detect and locate buried utilities. A large body of methods for subsurface imaging have been presented in literature [1], ranging from migration algorithms to non-linear inverse scattering approaches. More recently, also spectral estimation methods, which benefit from sub-array data arrangement, have been proposed and compared in [2].Here a Time Reversal MUSIC (TRM) like method is employed. TRM has been initially conceived to detect point-like scatterers and then generalized to the case of extended scatterers [3]. In the latter case, no a priori information about the scatterers is exploited. However, utilities often can be schematized as circular cylinders. Here, we develop a TRM variant which use this information to properly tailor the steering vector while implementing TRM. Accordingly, instead of a spatial map [3], the imaging procedure returns the scatterer's parameters such as its center position, radius and dielectric permittivity. The study is developed by numerical simulations. First the free-space case is considered in order to more easily introduce the idea and the problem mathematical structure. Then the analysis is extended to the half-space case. In both situations a FDTD forward solver is used to generate the synthetic data. As usual in TRM, a multi-view/multi-static single-frequency configuration is considered and emphasis is put on the role played by the number of available sensors. Acknowledgement This work benefited from networking activities carried out within the EU funded COST Action TU1208 "Civil Engineering Applications of Ground Penetrating Radar." [1] A. Randazzo and R. Solimene, 'Development Of New Methods For The Solution Of Inverse Electromagnetic Scattering Problems By Buried Structures: State of the Art and Open Issues ,'in COST ACTION TU1208: CIVIL ENGINEERING APPLICATIONS OF GROUND PENETRATING RADAR, Proceedings of first Action's General Meeting, 2013. ISBN: 978-88-548-6191-6. [2] S. Meschino, L. Pajewski, M. Pastorino, A. Randazzo, G. Schettini, "Detection of subsurface metallic utilities by means of a SAP technique: Comparing MUSIC- and SVM-based approaches, Journal of Applied Geophysics, vol. 97, pp. 60-68, 2013. [3] E. A. Marengo, F. K. Gruber, F. Simonetti, 'Time-reversal MUSIC imaging of extended targets,' IEEE Trans Image Process. vol. 16, pp. 1967-84, 2007

Light scattering by nonspherical particles: Remote sensing and climatic implications

NASA Astrophysics Data System (ADS)

Liou, K. N.; Takano, Y.

Calculations of the scattering and adsorption properties of ice crystals and aerosols, which are usually nonspherical, require specific methodologies. There is no unique theoretical solution for the scattering by nonspherical particles. Practically, all the numerical solutions for the scattering of nonspherical particles, including the exact wave equation approach, integral equation method, and discrete-dipole approximation, are applicable only to size parameters less than about 20. Thus, these methods are useful for the study of radiation problems involving nonspherical aerosols and small ice crystals in the thermal infrared wavelengths. The geometric optics approximation has been used to evaluate the scattering, absorption and polarization properties of hexagonal ice crystals whose sizes are much larger than the incident wavelength. This approximation is generally valid for hexagonal ice crystals with size parameters larger than about 30. From existing laboratory data and theoretical results, we illustrate that nonspherical particles absorb less and have a smaller asymmetry factor than the equal-projected area/volume spherical counterparts. In particular, we show that hexagonal ice crystals exhibit numerous halo and arc features that cannot be obtained from spherical particles; and that ice crystals scatter more light in the 60° to 140° scattering angle regions than the spherical counterparts. Satellite remote sensing of the optical depth and height of cirrus clouds using visible and IR channels must use appropriate phase functions for ice crystals. Use of an equivalent sphere model would lead to a significant overestimation and underestimation of the cirrus optical depth and height, respectively. Interpretation of the measurements for polarization reflected from sunlight involving cirrus clouds cannot be made without an appropriate ice crystal model. Large deviations exist for the polarization patterns between spheres and hexagonal ice crystals. Interpretation of lidar backscattering and depolarization signals must also utilize the scattering characteristics of hexagonal ice crystals. Equivalent spherical models substantially underestimate the broadband solar albedos of ice crystal clouds because of stronger forward scattering and larger absorption by spherical particles than hexagonal ice crystals. We illustrate that the net cloud radiative forcing at the top of the atmosphere involving most cirrus clouds is positive, implying that the IR greenhouse effect outweighs the solar albedo effect. If the radiative properties of equivalent spheres are used, a significant increase in cloud radiative forcing occurs. Using a one-dimensional cloud and climate model, we further demonstrate that there is sufficient model sensitivity, in terms of temperature increase, to the use of ice crystal models in radiation calculations.

Bistatic scattering from a cone frustum

NASA Technical Reports Server (NTRS)

Ebihara, W.; Marhefka, R. J.

1986-01-01

The bistatic scattering from a perfectly conducting cone frustum is investigated using the Geometrical Theory of Diffraction (GTD). The first-order GTD edge-diffraction solution has been extended by correcting for its failure in the specular region off the curved surface and in the rim-caustic regions of the endcaps. The corrections are accomplished by the use of transition functions which are developed and introduced into the diffraction coefficients. Theoretical results are verified in the principal plane by comparison with the moment method solution and experimental measurements. The resulting solution for the scattered fields is accurate, easy to apply, and fast to compute.

Prize for Industrial Applications of Physics Talk: The Inverse Scattering Problem and the role of measurements in its solution

NASA Astrophysics Data System (ADS)

Wyatt, Philip

2009-03-01

The electromagnetic inverse scattering problem suggests that if a homogeneous and non-absorbing object be illuminated with a monochromatic light source and if the far field scattered light intensity is known at sufficient scattering angles, then, in principle, one could derive the dielectric structure of the scattering object. In general, this is an ill-posed problem and methods must be developed to regularize the search for unique solutions. An iterative procedure often begins with a model of the scattering object, solves the forward scattering problem using this model, and then compares these calculated results with the measured values. Key to any such solution is instrumentation capable of providing adequate data. To this end, the development of the first laser based absolute light scattering photometers is described together with their continuing evolution and some of the remarkable discoveries made with them. For particles much smaller than the wavelength of the incident light (e.g. macromolecules), the inverse scattering problems are easily solved. Among the many solutions derived with this instrumentation are the in situ structure of bacterial cells, new drug delivery mechanisms, the development of new vaccines and other biologicals, characterization of wines, the possibility of custom chemotherapy, development of new polymeric materials, identification of protein crystallization conditions, and a variety discoveries concerning protein interactions. A new form of the problem is described to address bioterrorist threats. Over the many years of development and refinement, one element stands out as essential for the successes that followed: the R and D teams were always directed and executed by physics trained theorists and experimentalists. 14 Ph. D. physicists each made his/her unique contribution to the development of these evolving instruments and the interpretation of their results.

Backscattering from a randomly rough dielectric surface

NASA Technical Reports Server (NTRS)

Fung, Adrian K.; Li, Zongqian; Chen, K. S.

1992-01-01

A backscattering model for scattering from a randomly rough dielectric surface is developed based on an approximate solution of a pair of integral equations for the tangential surface fields. Both like and cross-polarized scattering coefficients are obtained. It is found that the like polarized scattering coefficients contain two types of terms: single scattering terms and multiple scattering terms. The single scattering terms in like polarized scattering are shown to reduce the first-order solutions derived from the small perturbation method when the roughness parameters satisfy the slightly rough conditions. When surface roughnesses are large but the surface slope is small, only a single scattering term corresponding to the standard Kirchhoff model is significant. If the surface slope is large, the multiple scattering term will also be significant. The cross-polarized backscattering coefficients satisfy reciprocity and contain only multiple scattering terms. The difference between vertical and horizontal scattering coefficients is found to increase with the dielectric constant and is generally smaller than that predicted by the first-order small perturbation model. Good agreements are obtained between this model and measurements from statistically known surfaces.

Inverse scattering transform for the nonlocal nonlinear Schrödinger equation with nonzero boundary conditions

NASA Astrophysics Data System (ADS)

Ablowitz, Mark J.; Luo, Xu-Dan; Musslimani, Ziad H.

2018-01-01

In 2013, a new nonlocal symmetry reduction of the well-known AKNS (an integrable system of partial differential equations, introduced by and named after Mark J. Ablowitz, David J. Kaup, and Alan C. Newell et al. (1974)) scattering problem was found. It was shown to give rise to a new nonlocal PT symmetric and integrable Hamiltonian nonlinear Schrödinger (NLS) equation. Subsequently, the inverse scattering transform was constructed for the case of rapidly decaying initial data and a family of spatially localized, time periodic one-soliton solutions was found. In this paper, the inverse scattering transform for the nonlocal NLS equation with nonzero boundary conditions at infinity is presented in four different cases when the data at infinity have constant amplitudes. The direct and inverse scattering problems are analyzed. Specifically, the direct problem is formulated, the analytic properties of the eigenfunctions and scattering data and their symmetries are obtained. The inverse scattering problem, which arises from a novel nonlocal system, is developed via a left-right Riemann-Hilbert problem in terms of a suitable uniformization variable and the time dependence of the scattering data is obtained. This leads to a method to linearize/solve the Cauchy problem. Pure soliton solutions are discussed, and explicit 1-soliton solution and two 2-soliton solutions are provided for three of the four different cases corresponding to two different signs of nonlinearity and two different values of the phase difference between plus and minus infinity. In another case, there are no solitons.

X-ray Scattering Combined with Coordinate-Based Analyses for Applications in Natural and Artificial Photosynthesis

PubMed Central

Tiede, David M.; Mardis, Kristy L.; Zuo, Xiaobing

2009-01-01

Advances in x-ray light sources and detectors have created opportunities for advancing our understanding of structure and structural dynamics for supramolecular assemblies in solution by combining x-ray scattering measurement with coordinate-based modeling methods. In this review the foundations for x-ray scattering are discussed and illustrated with selected examples demonstrating the ability to correlate solution x-ray scattering measurements to molecular structure, conformation, and dynamics. These approaches are anticipated to have a broad range of applications in natural and artificial photosynthesis by offering possibilities for structure resolution for dynamic supramolecular assemblies in solution that can not be fully addressed with crystallographic techniques, and for resolving fundamental mechanisms for solar energy conversion by mapping out structure in light-excited reaction states. PMID:19636808

Retrieval of cloud cover parameters from multispectral satellite images

NASA Technical Reports Server (NTRS)

Arking, A.; Childs, J. D.

1985-01-01

A technique is described for extracting cloud cover parameters from multispectral satellite radiometric measurements. Utilizing three channels from the AVHRR (Advanced Very High Resolution Radiometer) on NOAA polar orbiting satellites, it is shown that one can retrieve four parameters for each pixel: cloud fraction within the FOV, optical thickness, cloud-top temperature and a microphysical model parameter. The last parameter is an index representing the properties of the cloud particle and is determined primarily by the radiance at 3.7 microns. The other three parameters are extracted from the visible and 11 micron infrared radiances, utilizing the information contained in the two-dimensional scatter plot of the measured radiances. The solution is essentially one in which the distributions of optical thickness and cloud-top temperature are maximally clustered for each region, with cloud fraction for each pixel adjusted to achieve maximal clustering.

Butterfly deformation modes in a photoexcited pyrazolate-bridged Pt complex measured by time-resolved x-ray scattering in solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Haldrup, Kristoffer; Dohn, Asmus O.; Shelby, Megan L.

2016-08-27

Pyrazolate-bridged di-nuclear Pt complexes represent a series of molecules with tunable absorption and emission properties that can be directly modulated by structural factors, such as the Pt-Pt distance. However, direct experimental information regarding the structure of the emissive triplet excited state has remained scarce. Using time-resolved wide angle X-ray scattering (WAXS), the molecular structure of the triplet excited state for one of the complexes [Pt(ppy)(μ-tBu 2pz)] 2 was obtained in a dilute (0.5 mM) toluene solution utilizing the monochromatic X-ray beamline 11IDD of the Advanced Photon Source. The excited state structural analysis was carried out based on the results frommore » both transient WAXS measurements and DFT calculations to shed light on the primary structural changes, in particular the Pt-Pt distance and ligand rotation taking place following the photo-excitation of [Pt(ppy)(μ-tBu 2pz)] 2 in toluene solution. We find that in the triplet excited state a pronounced contraction along the Pt-Pt axis has taken place accompanied by rotational motions of ppy ligands toward one another. Our results suggest that the contraction is larger than what has previously been reported, but are in good agreement with recent theoretical efforts and suggest the ppy moieties as targets for rational synthesis aimed at tuning the excited-state structure and properties« less

Sharp threshold of blow-up and scattering for the fractional Hartree equation

NASA Astrophysics Data System (ADS)

Guo, Qing; Zhu, Shihui

2018-02-01

We consider the fractional Hartree equation in the L2-supercritical case, and find a sharp threshold of the scattering versus blow-up dichotomy for radial data: If M[u0 ]s -sc/sc E [u0 ] < M[ Q ]s -sc/sc E [ Q ] and M[u0 ]s -sc/sc ‖u0‖ H˙s 2 < M[ Q ]s -sc/sc ‖Q‖ H˙s 2 , then the solution u (t) is globally well-posed and scatters; if M[u0 ]s -sc/sc E [u0 ] < M[ Q ]s -sc/sc E [ Q ] and M[u0 ]s -sc/sc ‖u0‖ H˙s 2 > M[ Q ]s -sc/sc ‖Q‖ H˙s 2 , the solution u (t) blows up in finite time. This condition is sharp in the sense that the solitary wave solution eit Q (x) is global but not scattering, which satisfies the equality in the above conditions. Here, Q is the ground-state solution for the fractional Hartree equation.

A hybrid computational-experimental approach for automated crystal structure solution

NASA Astrophysics Data System (ADS)

Meredig, Bryce; Wolverton, C.

2013-02-01

Crystal structure solution from diffraction experiments is one of the most fundamental tasks in materials science, chemistry, physics and geology. Unfortunately, numerous factors render this process labour intensive and error prone. Experimental conditions, such as high pressure or structural metastability, often complicate characterization. Furthermore, many materials of great modern interest, such as batteries and hydrogen storage media, contain light elements such as Li and H that only weakly scatter X-rays. Finally, structural refinements generally require significant human input and intuition, as they rely on good initial guesses for the target structure. To address these many challenges, we demonstrate a new hybrid approach, first-principles-assisted structure solution (FPASS), which combines experimental diffraction data, statistical symmetry information and first-principles-based algorithmic optimization to automatically solve crystal structures. We demonstrate the broad utility of FPASS to clarify four important crystal structure debates: the hydrogen storage candidates MgNH and NH3BH3; Li2O2, relevant to Li-air batteries; and high-pressure silane, SiH4.

Exploring the feasibility of focusing CW light through a scattering medium into closely spaced twin peaks via numerical solutions of Maxwell’s equations

NASA Astrophysics Data System (ADS)

Tseng, Snow H.; Chang, Shih-Hui

2018-04-01

Here we present a numerical simulation to analyze the effect of scattering on focusing light into closely-spaced twin peaks. The pseudospectral time-domain (PSTD) is implemented to model continuous-wave (CW) light propagation through a scattering medium. Simulations show that CW light can propagate through a scattering medium and focus into closely-spaced twin peaks. CW light of various wavelengths focusing into twin peaks with sub-diffraction spacing is simulated. In advance, light propagation through scattering media of various number densities is simulated to decipher the dependence of CW light focusing phenomenon on the scattering medium. The reported simulations demonstrate the feasibility of focusing CW light into twin peaks with sub-diffraction dimensions. More importantly, based upon numerical solutions of Maxwell’s equations, research findings show that the sub-diffraction focusing phenomenon can be achieved with scarce or densely-packed scattering media.

Development and application of discontinuous Galerkin method for the solution of two-dimensional Maxwell equations

NASA Astrophysics Data System (ADS)

Wong, See-Cheuk

We inhabit an environment of electromagnetic (EM) waves. The waves within the EM spectrum---whether light, radio, or microwaves---all obey the same physical laws. A band in the spectrum is designated to the microwave frequencies (30MHz--300GHz), at which radar systems operate. The precise modeling of the scattered EM-ields about a target, as well as the numerical prediction of the radar return is the crux of the computational electromagnetics (CEM) problems. The signature or return from a target observed by radar is commonly provided in the form of radar cross section (RCS). Incidentally, the efforts in the reduction of such return forms the basis of stealth aircraft design. The object of this dissertation is to extend Discontinuous Galerkin (DG) method to solve numerically the Maxwell equations for scatterings from perfect electric conductor (PEC) objects. The governing equations are derived by writing the Maxwell equations in conservation-law form for scattered field quantities. The transverse magnetic (TM) and the transverse electric (TE) waveforms of the Maxwell equations are considered. A finite-element scheme is developed with proper representations for the electric and magnetic fluxes at a cell interface to account for variations in properties, in both space and time. A characteristic sub-path integration process, known as the "Riemann solver" is involved. An explicit Runge-Kutta Discontinuous Galerkin (RKDG) upwind scheme, which is fourth-order accurate in time and second-order in space, is employed to solve the TM and TE equations. Arbitrary cross-sectioned bodies are modeled, around which computational grids using random triangulation are generated. The RKDG method, in its development stage, was constructed and studied for solving hyperbolic conservation equations numerically. It was later extended to multidimensional nonlinear systems of conservation laws. The algorithms are described, including the formulations and treatments to the numerical fluxes, degrees of freedom, boundary conditions, and other implementation issues. The computational solution amounts to a near-field solution in form of contour plot and one extending from the scatterer to a far-field boundary located a few wavelengths away. Near-field to far-field transformation utilizing the Green's function is performed to obtain the bistatic radar cross section information. Results are presented for scatterings from a series of two-dimensional objects, including circular and square cylinders, ogive and NACA airfoils. Also, scatterings from more complex geometries such as cylindrical and rectangular cavitations are simulated. Exact solutions for selected cases are compared to the computational results and demonstrate excellent accuracy and efficiency in the RKDG calculations. In the whole, its ease and flexibility to incorporate the characteristic-based schemes for the flux integrals between cell interfaces, and the compact formulation allowing direct application to the boundary elements without modification are some of the admired features of the DG method.

Advanced light-scattering materials: Double-textured ZnO:B films grown by LP-MOCVD

NASA Astrophysics Data System (ADS)

Addonizio, M. L.; Spadoni, A.; Antonaia, A.

2013-12-01

Double-textured ZnO:B layers with enhanced optical scattering in both short and long wavelength regions have been successfully fabricated using MOCVD technique through a three step process. Growth of double-textured structures has been induced by wet etching on polycrystalline ZnO surface. Our double-layer structure consists of a first ZnO:B layer wet etched and subsequently used as substrate for a second ZnO:B layer deposition. Polycrystalline ZnO:B layers were etched by utilizing diluted solutions of fluoridic acid (HF), chloridric acid (HCl) and phosphoric acid (H3PO4) and their effect on surface morphology modification was systematically investigated. The morphology of the second deposited ZnO layer strongly depended on the surface properties of the etched ZnO first layer. Growth of cauliflower-like texture was induced by protrusions presence on the HCl etched surface. Optimized double-layer structure shows a cauliflower-like double texture with higher RMS roughness and increased spectral haze values in both short and long wavelength regions, compared to conventional pyramidal-like single texture. Furthermore, this highly scattering structure preserves excellent optical and electrical properties.

Concentration Regimes of Biopolymers Xanthan, Tara, and Clairana, Comparing Dynamic Light Scattering and Distribution of Relaxation Time

PubMed Central

Oliveira, Patrícia D.; Michel, Ricardo C.; McBride, Alan J. A.; Moreira, Angelita S.; Lomba, Rosana F. T.; Vendruscolo, Claire T.

2013-01-01

The aim of this work was to evaluate the utilization of analysis of the distribution of relaxation time (DRT) using a dynamic light back-scattering technique as alternative method for the determination of the concentration regimes in aqueous solutions of biopolymers (xanthan, clairana and tara gums) by an analysis of the overlap (c*) and aggregation (c**) concentrations. The diffusion coefficients were obtained over a range of concentrations for each biopolymer using two methods. The first method analysed the behaviour of the diffusion coefficient as a function of the concentration of the gum solution. This method is based on the analysis of the diffusion coefficient versus the concentration curve. Using the slope of the curves, it was possible to determine the c* and c** for xanthan and tara gum. However, it was not possible to determine the concentration regimes for clairana using this method. The second method was based on an analysis of the DRTs, which showed different numbers of relaxation modes. It was observed that the concentrations at which the number of modes changed corresponded to the c* and c**. Thus, the DRT technique provided an alternative method for the determination of the critical concentrations of biopolymers. PMID:23671627

A simple fabrication of plasmonic surface-enhanced Raman scattering (SERS) substrate for pesticide analysis via the immobilization of gold nanoparticles on UF membrane

NASA Astrophysics Data System (ADS)

Hong, Jangho; Kawashima, Ayato; Hamada, Noriaki

2017-06-01

In this study, we developed a facile fabrication method to access a highly reproducible plasmonic surface enhanced Raman scattering substrate via the immobilization of gold nanoparticles on an Ultrafiltration (UF) membrane using a suction technique. This was combined with a simple and rapid analyte concentration and detection method utilizing portable Raman spectroscopy. The minimum detectable concentrations for aqueous thiabendazole standard solution and thiabendazole in orange extract are 0.01 μg/mL and 0.125 μg/g, respectively. The partial least squares (PLS) regression plot shows a good linear relationship between 0.001 and 100 μg/mL of analyte, with a root mean square error of prediction (RMSEP) of 0.294 and a correlation coefficient (R2) of 0.976 for the thiabendazole standard solution. Meanwhile, the PLS plot also shows a good linear relationship between 0.0 and 2.5 μg/g of analyte, with an RMSEP value of 0.298 and an R2 value of 0.993 for the orange peel extract. In addition to the detection of other types of pesticides in agricultural products, this highly uniform plasmonic substrate has great potential for application in various environmentally-related areas.

Calcium ions in aqueous solutions: Accurate force field description aided by ab initio molecular dynamics and neutron scattering

NASA Astrophysics Data System (ADS)

Martinek, Tomas; Duboué-Dijon, Elise; Timr, Štěpán; Mason, Philip E.; Baxová, Katarina; Fischer, Henry E.; Schmidt, Burkhard; Pluhařová, Eva; Jungwirth, Pavel

2018-06-01

We present a combination of force field and ab initio molecular dynamics simulations together with neutron scattering experiments with isotopic substitution that aim at characterizing ion hydration and pairing in aqueous calcium chloride and formate/acetate solutions. Benchmarking against neutron scattering data on concentrated solutions together with ion pairing free energy profiles from ab initio molecular dynamics allows us to develop an accurate calcium force field which accounts in a mean-field way for electronic polarization effects via charge rescaling. This refined calcium parameterization is directly usable for standard molecular dynamics simulations of processes involving this key biological signaling ion.

The scatter of obliquely incident plane waves from a corrugated conducting surface

NASA Technical Reports Server (NTRS)

Levine, D. N.

1975-01-01

A physical optics solution is presented for the scattering of plane waves from a perfectly conducting corrugated surface in the case of waves incident from an arbitrary direction and for an observer far from the surface. This solution was used to compute the radar cross section of the surface in the case of backscatter from irregular (i.e., stochastic) corrugations and to point out a correction to the literature on this problem. A feature of the solution is the occurrence of singularities in the scattered fields which appear to be a manifestation of focussing by the surface at its stationary points. Whether or not the singularities occur in the solution depends on the manner in which one restricts the analysis to the far field.

Solution of the relativistic asymptotic equations in electron-ion scattering

NASA Astrophysics Data System (ADS)

Young, I. G.; Norrington, P. H.

1994-12-01

Two asymptotic expansions are suggested for the solution of the coupled equations for the radial channel wavefunctions arising from the treament of electron-ion scattering using the Dirac Hamiltonian. The recurrence relations obtained for the expansions coefficients are given. A method is suggested for calculation of the one-electron Dirac-Coulomb functions used in the second expansion using solutions of the non-relativistic Coulomb equation with complex arguments.

On a generalized Ablowitz-Kaup-Newell-Segur hierarchy in inhomogeneities of media: soliton solutions and wave propagation influenced from coefficient functions and scattering data

NASA Astrophysics Data System (ADS)

Zhang, Sheng; Hong, Siyu

2018-07-01

In this paper, a generalized Ablowitz-Kaup-Newell-Segur (AKNS) hierarchy in inhomogeneities of media described by variable coefficients is investigated, which includes some important nonlinear evolution equations as special cases, for example, the celebrated Korteweg-de Vries equation modeling waves on shallow water surfaces. To be specific, the known AKNS spectral problem and its time evolution equation are first generalized by embedding a finite number of differentiable and time-dependent functions. Starting from the generalized AKNS spectral problem and its generalized time evolution equation, a generalized AKNS hierarchy with variable coefficients is then derived. Furthermore, based on a systematic analysis on the time dependence of related scattering data of the generalized AKNS spectral problem, exact solutions of the generalized AKNS hierarchy are formulated through the inverse scattering transform method. In the case of reflectionless potentials, the obtained exact solutions are reduced to n-soliton solutions. It is graphically shown that the dynamical evolutions of such soliton solutions are influenced by not only the time-dependent coefficients but also the related scattering data in the process of propagations.

Light scattering and random lasing in aqueous suspensions of hexagonal boron nitride nanoflakes

NASA Astrophysics Data System (ADS)

O'Brien, S. A.; Harvey, A.; Griffin, A.; Donnelly, T.; Mulcahy, D.; Coleman, J. N.; Donegan, J. F.; McCloskey, D.

2017-11-01

Liquid phase exfoliation allows large scale production of 2D materials in solution. The particles are highly anisotropic and strongly scatter light. While spherical particles can be accurately and precisely described by a single parameter—the radius, 2D nanoflakes, however, cannot be so easily described. We investigate light scattering in aqueous solutions of 2D hexagonal boron nitride nanoflakes in the single and multiple scattering regimes. In the single scattering regime, the anisotropic 2D materials show a much stronger depolarization of light when compared to spherical particles of similar size. In the multiple scattering regime, the scattering as a function of optical path for hexagonal boron nitride nanoflakes of a given lateral length was found to be qualitatively equivalent to scattering from spheres with the same diameter. We also report the presence of random lasing in high concentration suspensions of aqueous h-BN mixed with Rhodamine B dye. The h-BN works as a scattering agent and Rhodamine B as a gain medium for the process. We observed random lasing at 587 nm with a threshold energy of 0.8 mJ.

Light scattering and random lasing in aqueous suspensions of hexagonal boron nitride nanoflakes.

PubMed

O'Brien, S A; Harvey, A; Griffin, A; Donnelly, T; Mulcahy, D; Coleman, J N; Donegan, J F; McCloskey, D

2017-11-24

Liquid phase exfoliation allows large scale production of 2D materials in solution. The particles are highly anisotropic and strongly scatter light. While spherical particles can be accurately and precisely described by a single parameter-the radius, 2D nanoflakes, however, cannot be so easily described. We investigate light scattering in aqueous solutions of 2D hexagonal boron nitride nanoflakes in the single and multiple scattering regimes. In the single scattering regime, the anisotropic 2D materials show a much stronger depolarization of light when compared to spherical particles of similar size. In the multiple scattering regime, the scattering as a function of optical path for hexagonal boron nitride nanoflakes of a given lateral length was found to be qualitatively equivalent to scattering from spheres with the same diameter. We also report the presence of random lasing in high concentration suspensions of aqueous h-BN mixed with Rhodamine B dye. The h-BN works as a scattering agent and Rhodamine B as a gain medium for the process. We observed random lasing at 587 nm with a threshold energy of 0.8 mJ.

Electromagnetic scattering by a straight thin wire

NASA Technical Reports Server (NTRS)

Shamansky, Harry T.; Dominek, Allen K.; Peters, Leon, Jr.

1989-01-01

The traveling-wave energy, which multiply diffracts on a straight thin wire, is represented as a sum of terms, each with a distinct physical meaning, that can be individually examined in the time domain. Expressions for each scattering mechanism on a straight thin wire are cast in the form of four basic electromagnetic wave concepts: diffraction, attachment, launch, and reflection. Using the basic mechanisms from P. Ya. Ufimtsev (1962), each of the scattering mechanisms is included into the total scattered field for the straight thin wire. Scattering as a function of angle and frequency is then compared to the moment-method solution. These analytic expressions are then extended to a lossy wire with a simple approximate modification using the propagation velocity on the wire as derived from the Sommerfeld wave on a straight lossy wire. Both the perfectly conducting and lossy wire solutions are compared to moment-method results, and excellent agreement is found. As is common with asymptotic solutions, when the electrical length of wire is smaller than 0.2 lambda the results lose accuracy. The expressions modified to approximate the scattering for the lossy thin wire yield excellent agreement even for lossy wires where the wire radius is on the order of skin depth.

Experimental solution for scattered imaging of the interference of plasmonic and photonic mode waves launched by metal nano-slits.

PubMed

Li, Xing; Gao, Yaru; Jiang, Shuna; Ma, Li; Liu, Chunxiang; Cheng, Chuanfu

2015-02-09

Using an L-shaped metal nanoslit to generate waves of the pure photonic and plasmonic modes simultaneously, we perform an experimental solution for the scattered imaging of the interference of the two waves. From the fringe data of interference, the amplitudes and the wavevector components of the two waves are obtained. The initial phases of the two waves are obtained from the phase map reconstructed with the interference of the scattered image and the reference wave in the interferometer. The difference in the wavevector components gives rise to an additional phase delay. We introduce the scattering theory under Kirchhoff's approximation to metal slit regime and explain the wavevector difference reasonably. The solution of the quantities is a comprehensive reflection of excitation, scattering and interference of the two waves. By decomposing the polarized incident field with respect to the slit element, the scattered image produced by slit of arbitrary shape can be solved with the nanoscale Huygens-Fresnel principle. This is demonstrated by the experimental intensity pattern and phase map produced by a ring-slit and its consistency with the calculated results.

A review of light-scattering techniques for the study of colloids in natural waters

USGS Publications Warehouse

Rees, T.F.

1987-01-01

In order to understand the movement of colloidal materials in natural waters, we first need to have a means of quantifying their physical characteristics. This paper reviews three techniques which utilize light-scattering phenomena to measure the translational diffusion coefficient, the rotational diffusion coefficient, and the electrophoretic mobility of colloids suspended in water. Primary emphasis is to provide sufficient theoretical detail so that hydrologists can evaluate the utility of photon correlation spectrometry, electrophoretic light scattering, and electric birefringence analysis. ?? 1987.

Development of Point Doppler Velocimetry for Flow Field Investigations

NASA Technical Reports Server (NTRS)

Cavone, Angelo A.; Meyers, James F.; Lee, Joseph W.

2006-01-01

A Point Doppler Velocimeter (pDv) has been developed using a vapor-limited iodine cell as the sensing medium. The iodine cell is utilized to directly measure the Doppler shift frequency of laser light scattered from submicron particles suspended within a fluid flow. The measured Doppler shift can then be used to compute the velocity of the particles, and hence the fluid. Since this approach does not require resolution of scattered light from individual particles, the potential exists to obtain temporally continuous signals that could be uniformly sampled in the manner as a hot wire anemometer. This leads to the possibility of obtaining flow turbulence power spectra without the limitations of fringe-type laser velocimetry. The development program consisted of a methodical investigation of the technology coupled with the solution of practical engineering problems to produce a usable measurement system. The paper outlines this development along with the evaluation of the resulting system as compared to primary standards and other measurement technologies.

High-brightness laser imaging with tunable speckle reduction enabled by electroactive micro-optic diffusers.

PubMed

Farrokhi, Hamid; Rohith, Thazhe Madam; Boonruangkan, Jeeranan; Han, Seunghwoi; Kim, Hyunwoong; Kim, Seung-Woo; Kim, Young-Jin

2017-11-10

High coherence of lasers is desirable in high-speed, high-resolution, and wide-field imaging. However, it also causes unavoidable background speckle noise thus degrades the image quality in traditional microscopy and more significantly in interferometric quantitative phase imaging (QPI). QPI utilizes optical interference for high-precision measurement of the optical properties where the speckle can severely distort the information. To overcome this, we demonstrated a light source system having a wide tunability in the spatial coherence over 43% by controlling the illumination angle, scatterer's size, and the rotational speed of an electroactive-polymer rotational micro-optic diffuser. Spatially random phase modulation was implemented for the lower speckle imaging with over a 50% speckle reduction without a significant degradation in the temporal coherence. Our coherence control technique will provide a unique solution for a low-speckle, full-field, and coherent imaging in optically scattering media in the fields of healthcare sciences, material sciences and high-precision engineering.

Reconstructed imaging of acoustic cloak using time-lapse reversal method

NASA Astrophysics Data System (ADS)

Zhou, Chen; Cheng, Ying; Xu, Jian-yi; Li, Bo; Liu, Xiao-jun

2014-08-01

We proposed and investigated a solution to the inverse acoustic cloak problem, an anti-stealth technology to make cloaks visible, using the time-lapse reversal (TLR) method. The TLR method reconstructs the image of an unknown acoustic cloak by utilizing scattered acoustic waves. Compared to previous anti-stealth methods, the TLR method can determine not only the existence of a cloak but also its exact geometric information like definite shape, size, and position. Here, we present the process for TLR reconstruction based on time reversal invariance. This technology may have potential applications in detecting various types of cloaks with different geometric parameters.

Efficient Solution of Three-Dimensional Problems of Acoustic and Electromagnetic Scattering by Open Surfaces

NASA Technical Reports Server (NTRS)

Turc, Catalin; Anand, Akash; Bruno, Oscar; Chaubell, Julian

2011-01-01

We present a computational methodology (a novel Nystrom approach based on use of a non-overlapping patch technique and Chebyshev discretizations) for efficient solution of problems of acoustic and electromagnetic scattering by open surfaces. Our integral equation formulations (1) Incorporate, as ansatz, the singular nature of open-surface integral-equation solutions, and (2) For the Electric Field Integral Equation (EFIE), use analytical regularizes that effectively reduce the number of iterations required by iterative linear-algebra solution based on Krylov-subspace iterative solvers.

Non-Invasive Acoustic-Based Monitoring of Heavy Water and Uranium Process Solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pantea, Cristian; Sinha, Dipen N.; Lakis, Rollin Evan

This presentation includes slides on Project Goals; Heavy Water Production Monitoring: A New Challenge for the IAEA; Noninvasive Measurements in SFAI Cell; Large Scatter in Literature Values; Large Scatter in Literature Values; Highest Precision Sound Speed Data Available: New Standard in H/D; ~400 pts of data; Noninvasive Measurements in SFAI Cell; New funding from NA241 SGTech; Uranium Solution Monitoring: Inspired by IAEA Challenge in Kazakhstan; Non-Invasive Acoustic-Based Monitoring of Uranium in Solutions; Non-Invasive Acoustic-Based Monitoring of Uranium in Solutions; and finally a summary.

Laser Light Scattering with Multiple Scattering Suppression Used to Measure Particle Sizes

NASA Technical Reports Server (NTRS)

Meyer, William V.; Tin, Padetha; Lock, James A.; Cannell, David S.; Smart, Anthony E.; Taylor, Thomas W.

1999-01-01

Laser light scattering is the technique of choice for noninvasively sizing particles in a fluid. The members of the Advanced Technology Development (ATD) project in laser light scattering at the NASA Lewis Research Center have invented, tested, and recently enhanced a simple and elegant way to extend the concentration range of this standard laboratory particle-sizing technique by several orders of magnitude. With this technique, particles from 3 nm to 3 mm can be measured in a solution. Recently, laser light scattering evolved to successfully size particles in both clear solutions and concentrated milky-white solutions. The enhanced technique uses the property of light that causes it to form tall interference patterns at right angles to the scattering plane (perpendicular to the laser beam) when it is scattered from a narrow laser beam. Such multiple-scattered light forms a broad fuzzy halo around the focused beam, which, in turn, forms short interference patterns. By placing two fiber optics on top of each other and perpendicular to the laser beam (see the drawing), and then cross-correlating the signals they produce, only the tall interference patterns formed by singly scattered light are detected. To restate this, unless the two fiber optics see the same interference pattern, the scattered light is not incorporated into the signal. With this technique, only singly scattered light is seen (multiple-scattered light is rejected) because only singly scattered light has an interference pattern tall enough to span both of the fiber-optic pickups. This technique is simple to use, easy to align, and works at any angle. Placing a vertical slit in front of the signal collection fibers enhanced this approach. The slit serves as an optical mask, and it significantly shortens the time needed to collect good data by selectively masking out much of the unwanted light before cross-correlation is applied.

Inverse atmospheric radiative transfer problems - A nonlinear minimization search method of solution. [aerosol pollution monitoring

NASA Technical Reports Server (NTRS)

Fymat, A. L.

1976-01-01

The paper studies the inversion of the radiative transfer equation describing the interaction of electromagnetic radiation with atmospheric aerosols. The interaction can be considered as the propagation in the aerosol medium of two light beams: the direct beam in the line-of-sight attenuated by absorption and scattering, and the diffuse beam arising from scattering into the viewing direction, which propagates more or less in random fashion. The latter beam has single scattering and multiple scattering contributions. In the former case and for single scattering, the problem is reducible to first-kind Fredholm equations, while for multiple scattering it is necessary to invert partial integrodifferential equations. A nonlinear minimization search method, applicable to the solution of both types of problems has been developed, and is applied here to the problem of monitoring aerosol pollution, namely the complex refractive index and size distribution of aerosol particles.

Evaluation of the telegrapher's equation and multiple-flux theories for calculating the transmittance and reflectance of a diffuse absorbing slab.

PubMed

Kong, Steven H; Shore, Joel D

2007-03-01

We study the propagation of light through a medium containing isotropic scattering and absorption centers. With a Monte Carlo simulation serving as the benchmark solution to the radiative transfer problem of light propagating through a turbid slab, we compare the transmission and reflection density computed from the telegrapher's equation, the diffusion equation, and multiple-flux theories such as the Kubelka-Munk and four-flux theories. Results are presented for both normally incident light and diffusely incident light. We find that we can always obtain very good results from the telegrapher's equation provided that two parameters that appear in the solution are set appropriately. We also find an interesting connection between certain solutions of the telegrapher's equation and solutions of the Kubelka-Munk and four-flux theories with a small modification to how the phenomenological parameters in those theories are traditionally related to the optical scattering and absorption coefficients of the slab. Finally, we briefly explore how well the theories can be extended to the case of anisotropic scattering by multiplying the scattering coefficient by a simple correction factor.

Analytical close-to-source investigation for an isotropic point source in an unbounded, anisotropically scattering medium

NASA Astrophysics Data System (ADS)

Rinzema, Kees; ten Bosch, Jaap J.; Ferwerda, Hedzer A.; Hoenders, Bernhard J.

1995-01-01

The diffusion approximation, which is often used to describe the propagation of light in biological tissues, is only good at a sufficient distance from sources and boundaries. Light- tissue interaction is however most intense in the region close to the source. It would therefore be interesting to study this region more closely. Although scattering in biological tissues is predominantly forward peaked, explicit solutions to the transport equation have only been obtained in the case of isotropic scattering. Particularly, for the case of an isotropic point source in an unbounded, isotropically scattering medium the solution is well known. We show that this problem can also be solved analytically if the scattering is no longer isotropic, while everything else remains the same.

The Fast Multipole Method and Fourier Convolution for the Solution of Acoustic Scattering on Regular Volumetric Grids

PubMed Central

Hesford, Andrew J.; Waag, Robert C.

2010-01-01

The fast multipole method (FMM) is applied to the solution of large-scale, three-dimensional acoustic scattering problems involving inhomogeneous objects defined on a regular grid. The grid arrangement is especially well suited to applications in which the scattering geometry is not known a priori and is reconstructed on a regular grid using iterative inverse scattering algorithms or other imaging techniques. The regular structure of unknown scattering elements facilitates a dramatic reduction in the amount of storage and computation required for the FMM, both of which scale linearly with the number of scattering elements. In particular, the use of fast Fourier transforms to compute Green's function convolutions required for neighboring interactions lowers the often-significant cost of finest-level FMM computations and helps mitigate the dependence of FMM cost on finest-level box size. Numerical results demonstrate the efficiency of the composite method as the number of scattering elements in each finest-level box is increased. PMID:20835366

The fast multipole method and Fourier convolution for the solution of acoustic scattering on regular volumetric grids

NASA Astrophysics Data System (ADS)

Hesford, Andrew J.; Waag, Robert C.

2010-10-01

The fast multipole method (FMM) is applied to the solution of large-scale, three-dimensional acoustic scattering problems involving inhomogeneous objects defined on a regular grid. The grid arrangement is especially well suited to applications in which the scattering geometry is not known a priori and is reconstructed on a regular grid using iterative inverse scattering algorithms or other imaging techniques. The regular structure of unknown scattering elements facilitates a dramatic reduction in the amount of storage and computation required for the FMM, both of which scale linearly with the number of scattering elements. In particular, the use of fast Fourier transforms to compute Green's function convolutions required for neighboring interactions lowers the often-significant cost of finest-level FMM computations and helps mitigate the dependence of FMM cost on finest-level box size. Numerical results demonstrate the efficiency of the composite method as the number of scattering elements in each finest-level box is increased.

The Fast Multipole Method and Fourier Convolution for the Solution of Acoustic Scattering on Regular Volumetric Grids.

PubMed

Hesford, Andrew J; Waag, Robert C

2010-10-20

The fast multipole method (FMM) is applied to the solution of large-scale, three-dimensional acoustic scattering problems involving inhomogeneous objects defined on a regular grid. The grid arrangement is especially well suited to applications in which the scattering geometry is not known a priori and is reconstructed on a regular grid using iterative inverse scattering algorithms or other imaging techniques. The regular structure of unknown scattering elements facilitates a dramatic reduction in the amount of storage and computation required for the FMM, both of which scale linearly with the number of scattering elements. In particular, the use of fast Fourier transforms to compute Green's function convolutions required for neighboring interactions lowers the often-significant cost of finest-level FMM computations and helps mitigate the dependence of FMM cost on finest-level box size. Numerical results demonstrate the efficiency of the composite method as the number of scattering elements in each finest-level box is increased.

Radiometry rocks

NASA Astrophysics Data System (ADS)

Harvey, James E.

2012-10-01

Professor Bill Wolfe was an exceptional mentor for his graduate students, and he made a major contribution to the field of optical engineering by teaching the (largely ignored) principles of radiometry for over forty years. This paper describes an extension of Bill's work on surface scatter behavior and the application of the BRDF to practical optical engineering problems. Most currently-available image analysis codes require the BRDF data as input in order to calculate the image degradation from residual optical fabrication errors. This BRDF data is difficult to measure and rarely available for short EUV wavelengths of interest. Due to a smooth-surface approximation, the classical Rayleigh-Rice surface scatter theory cannot be used to calculate BRDFs from surface metrology data for even slightly rough surfaces. The classical Beckmann-Kirchhoff theory has a paraxial limitation and only provides a closed-form solution for Gaussian surfaces. Recognizing that surface scatter is a diffraction process, and by utilizing sound radiometric principles, we first developed a linear systems theory of non-paraxial scalar diffraction in which diffracted radiance is shift-invariant in direction cosine space. Since random rough surfaces are merely a superposition of sinusoidal phase gratings, it was a straightforward extension of this non-paraxial scalar diffraction theory to develop a unified surface scatter theory that is valid for moderately rough surfaces at arbitrary incident and scattered angles. Finally, the above two steps are combined to yield a linear systems approach to modeling image quality for systems suffering from a variety of image degradation mechanisms. A comparison of image quality predictions with experimental results taken from on-orbit Solar X-ray Imager (SXI) data is presented.

Backscattering from a Gaussian distributed, perfectly conducting, rough surface

NASA Technical Reports Server (NTRS)

Brown, G. S.

1977-01-01

The problem of scattering by random surfaces possessing many scales of roughness is analyzed. The approach is applicable to bistatic scattering from dielectric surfaces, however, this specific analysis is restricted to backscattering from a perfectly conducting surface in order to more clearly illustrate the method. The surface is assumed to be Gaussian distributed so that the surface height can be split into large and small scale components, relative to the electromagnetic wavelength. A first order perturbation approach is employed wherein the scattering solution for the large scale structure is perturbed by the small scale diffraction effects. The scattering from the large scale structure is treated via geometrical optics techniques. The effect of the large scale surface structure is shown to be equivalent to a convolution in k-space of the height spectrum with the following: the shadowing function, a polarization and surface slope dependent function, and a Gaussian factor resulting from the unperturbed geometrical optics solution. This solution provides a continuous transition between the near normal incidence geometrical optics and wide angle Bragg scattering results.

Small Angle X-Ray Scattering from Lipid-Bound Myelin Basic Protein in Solution

PubMed Central

Haas, H.; Oliveira, C. L. P.; Torriani, I. L.; Polverini, E.; Fasano, A.; Carlone, G.; Cavatorta, P.; Riccio, P.

2004-01-01

The structure of myelin basic protein (MBP), purified from the myelin sheath in both lipid-free (LF-MBP) and lipid-bound (LB-MBP) forms, was investigated in solution by small angle x-ray scattering. The water-soluble LF-MBP, extracted at pH < 3.0 from defatted brain, is the classical preparation of MBP, commonly regarded as an intrinsically unfolded protein. LB-MBP is a lipoprotein-detergent complex extracted from myelin with its native lipidic environment at pH > 7.0. Under all conditions, the scattering from the two protein forms was different, indicating different molecular shapes. For the LB-MBP, well-defined scattering curves were obtained, suggesting that the protein had a unique, compact (but not globular) structure. Furthermore, these data were compatible with earlier results from molecular modeling calculations on the MBP structure which have been refined by us. In contrast, the LF-MBP data were in accordance with the expected open-coil conformation. The results represent the first direct structural information from x-ray scattering measurements on MBP in its native lipidic environment in solution. PMID:14695288

Analysis of Self-Associating Proteins by Singular Value Decomposition of Solution Scattering Data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Williamson, Tim E.; Craig, Bruce A.; Kondrashkina, Elena

2008-07-08

We describe a method by which a single experiment can reveal both association model (pathway and constants) and low-resolution structures of a self-associating system. Small-angle scattering data are collected from solutions at a range of concentrations. These scattering data curves are mass-weighted linear combinations of the scattering from each oligomer. Singular value decomposition of the data yields a set of basis vectors from which the scattering curve for each oligomer is reconstructed using coefficients that depend on the association model. A search identifies the association pathway and constants that provide the best agreement between reconstructed and observed data. Using simulatedmore » data with realistic noise, our method finds the correct pathway and association constants. Depending on the simulation parameters, reconstructed curves for each oligomer differ from the ideal by 0.050.99% in median absolute relative deviation. The reconstructed scattering curves are fundamental to further analysis, including interatomic distance distribution calculation and low-resolution ab initio shape reconstruction of each oligomer in solution. This method can be applied to x-ray or neutron scattering data from small angles to moderate (or higher) resolution. Data can be taken under physiological conditions, or particular conditions (e.g., temperature) can be varied to extract fundamental association parameters ({Delta}H{sub ass}, S{sub ass}).« less

Kinetics of microstructure formation of high-pressure induced gel from a whey protein isolate

NASA Astrophysics Data System (ADS)

He, Jin-Song; Yang, Hongwei; Zhu, Wanpeng; Mu, Tai-Hua

2010-03-01

The kinetic process of pressure-induced gelation of whey protein isolate (WPI) solutions was studied using in situ light scattering. The relationship of the logarithm of scattered light intensity (I) versus time (t) was linear after the induced time and could be described by the Cahn-Hilliard linear theory. With increasing time, the scattered intensity deviated from the exponential relationship, and the time evolution of the scattered light intensity maximum Im and the corresponding wavenumber qm could be described in terms of the power-law relationship as Im~fβ and qm~f-α, respectively. These results indicated that phase separation occurred during the gelation of WPI solutions under high pressure.

Scattering from Colloid-Polymer Conjugates with Excluded Volume Effect

DOE PAGES

Li, Xin; Sanchez-Diaz, Luis E.; Smith, Gregory Scott; ...

2015-01-13

This work presents scattering functions of conjugates consisting of a colloid particle and a self-avoiding polymer chain as a model for protein-polymer conjugates and nanoparticle-polymer conjugates in solution. The model is directly derived from the two-point correlation function with the inclusion of excluded volume effects. The dependence of the calculated scattering function on the geometric shape of the colloid and polymer stiffness is investigated. The model is able to describe the experimental scattering signature of the solutions of suspending hard particle-polymer conjugates and provide additional conformational information. This model explicitly elucidates the link between the global conformation of a conjugatemore » and the microstructure of its constituent components.« less

Molecular Dynamics and Neutron Scattering Studies of Mixed Solutions of Caffeine and Pyridine in Water.

PubMed

Tavagnacco, Letizia; Mason, Philip E; Neilson, George W; Saboungi, Marie-Louise; Cesàro, Attilio; Brady, John W

2018-05-31

Insight into the molecular interactions of homotactic and heterotactic association of caffeine and pyridine in aqueous solution is given on the basis of both experimental and simulation studies. Caffeine is about 5 times more soluble in a 3 m aqueous pyridine solution than it is in pure water (an increase from ∼0.1 m to 0.5 m). At this elevated concentration the system becomes suitable for neutron scattering study. Caffeine-pyridine interactions were studied by neutron scattering and molecular dynamics simulations, allowing a detailed characterization of the spatial and orientational structure of the solution. It was found that while pyridine-caffeine interactions are not as strong as caffeine-caffeine interactions, the pyridine-caffeine interactions still significantly disrupted caffeine-caffeine stacking. The alteration of the caffeine-caffeine stacking, occasioned by the presence of pyridine molecules in solution and the consequent formation of heterotactic interactions, leads to the experimentally detected increase in caffeine solubility.

DREAM3D simulations of inner-belt dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cunningham, Gregory Scott

2015-05-26

A 1973 paper by Lyons and Thorne explains the two-belt structure for electrons in the inner magnetosphere as a balance between inward radial diffusion and loss to the atmosphere, where the loss to the atmosphere is enabled by pitch-angle scattering from Coulomb and wave-particle interactions. In the 1973 paper, equilibrium solutions to a decoupled set of 1D radial diffusion equations, one for each value of the first invariant of motion, μ, were computed to produce the equilibrium two-belt structure. Each 1D radial diffusion equation incorporated an L-and μ-dependent `lifetime' due to the Coulomb and wave-particle interactions. This decoupling of themore » problem is appropriate under the assumption that radial diffusion is slow in comparison to pitch-angle scattering. However, for some values of μ and L the lifetime associated with pitch-angle scattering is comparable to the timescale associated with radial diffusion, suggesting that the true equilibrium solutions might reflect `coupled modes' involving pitch-angle scattering and radial diffusion and thus requiring a 3D diffusion model. In the work we show here, we have computed the equilibrium solutions using our 3D diffusion model, DREAM3D, that allows for such coupling. We find that the 3D equilibrium solutions are quite similar to the solutions shown in the 1973 paper when we use the same physical models for radial diffusion and pitch-angle scattering from hiss. However, we show that the equilibrium solutions are quite sensitive to various aspects of the physics model employed in the 1973 paper that can be improved, suggesting that additional work needs to be done to understand the two-belt structure.« less

Evaluation of solution stability for two-component polydisperse systems by small-angle scattering

NASA Astrophysics Data System (ADS)

Kryukova, A. E.; Konarev, P. V.; Volkov, V. V.

2017-12-01

The article is devoted to the modelling of small-angle scattering data using the program MIXTURE designed for the study of polydisperse multicomponent mixtures. In this work we present the results of solution stability studies for theoretical small-angle scattering data sets from two-component models. It was demonstrated that the addition of the noise to the data influences the stability range of the restored structural parameters. The recommendations for the optimal minimization schemes that permit to restore the volume size distributions for polydisperse systems are suggested.

Acousto-Optic Beam Sampler, Part 2. Green’s Function Solution to Acousto-Optic Interaction Problem.

DTIC Science & Technology

This part of the ’ Acousto - Optic Beam Sampler,’ series lays down the formalism behind the Green’s function integral approach to solving the acousto ... optic scattering problem. The advantage of this formulation which is applicable to gases is shown through developing the solution to the scattering

Scattering by a groove in an impedance plane

NASA Technical Reports Server (NTRS)

Bindiganavale, Sunil; Volakis, John L.

1993-01-01

An analysis of two-dimensional scattering from a narrow groove in an impedance plane is presented. The groove is represented by a impedance surface and the problem reduces to that of scattering from an impedance strip in an otherwise uniform impedance plane. On the basis of this model, appropriate integral equations are constructed using a form of the impedance plane Green's functions involving rapidly convergent integrals. The integral equations are solved by introducing a single basis representation of the equivalent current on the narrow impedance insert. Both transverse electric (TE) and transverse magnetic (TM) polarizations are treated. The resulting solution is validated by comparison with results from the standard boundary integral method (BIM) and a high frequency solution. It is found that the presented solution for narrow impedance inserts can be used in conjunction with the high frequency solution for the characterization of impedance inserts of any given width.

Advanced scatter search approach and its application in a sequencing problem of mixed-model assembly lines in a case company

NASA Astrophysics Data System (ADS)

Liu, Qiong; Wang, Wen-xi; Zhu, Ke-ren; Zhang, Chao-yong; Rao, Yun-qing

2014-11-01

Mixed-model assembly line sequencing is significant in reducing the production time and overall cost of production. To improve production efficiency, a mathematical model aiming simultaneously to minimize overtime, idle time and total set-up costs is developed. To obtain high-quality and stable solutions, an advanced scatter search approach is proposed. In the proposed algorithm, a new diversification generation method based on a genetic algorithm is presented to generate a set of potentially diverse and high-quality initial solutions. Many methods, including reference set update, subset generation, solution combination and improvement methods, are designed to maintain the diversification of populations and to obtain high-quality ideal solutions. The proposed model and algorithm are applied and validated in a case company. The results indicate that the proposed advanced scatter search approach is significant for mixed-model assembly line sequencing in this company.

Time-resolved forward-light-scattering monitoring of protein–lysozyme aggregation in precrystalline solutions

NASA Astrophysics Data System (ADS)

Wakamatsu, Takashi; Onoda, Takashi; Ogata, Makoto

2018-05-01

An in situ measurement method of monitoring protein aggregation in precrystalline solutions is presented. The method is based on a small-angle forward static light scattering (F-SLS) technique. This technique uses an accurate optical arrangement of a combination of a collimating lens and a CCD to obtain an F-SLS pattern from an aggregate-containing protein solution in one shot. The real-time observation of a crystallizing lysozyme captured the formation of fractal aggregates in the initial formation stage.

Particle Scattering in the Resonance Regime: Full-Wave Solution for Axisymmetric Particles with Large Aspect Ratios

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.

Temperature invariance of NaCl solubility in water: inferences from salt-water cluster behavior of NaCl, KCl, and NH4Cl.

PubMed

Bharmoria, Pankaj; Gupta, Hariom; Mohandas, V P; Ghosh, Pushpito K; Kumar, Arvind

2012-09-27

The growth and stability of salt-water clusters have been experimentally studied in aqueous solutions of NaCl, KCl, and NH(4)Cl from dilute to near-saturation conditions employing dynamic light scattering and zeta potential measurements. In order to examine cluster stability, the changes in the cluster sizes were monitored as a function of temperature. Compared to the other cases, the average size of NaCl-water clusters remained almost constant over the studied temperature range of 20-70 °C. Information obtained from the temperature-dependent solution compressibility (determined from speed of sound and density measurements), multinuclear NMR ((1)H, (17)O, (35)Cl NMR), and FTIR were utilized to explain the cluster behavior. Comparison of NMR chemical shifts of saturated salt solutions with solid-state NMR data of pure salts, and evaluation of spectral modifications in the OH stretch region of saturated salt solutions as compared to that of pure water, provided important clues on ion pair-water interactions and water structure in the clusters. The high stability and temperature independence of the cluster sizes in aqueous NaCl shed light on the temperature invariance of its solubility.

Effect of pH on turbidity, size, viscosity and the shape of sodium caseinate aggregates with light scattering and rheometry.

PubMed

Ghorbani Gorji, Sara; Ghorbani Gorji, Elham; Mohammadifar, Mohammad Amin

2015-03-01

The characterization of sodium caseinate solutions as a function of pH was determined using titration with HCL through turbidimetry in different concentrations (0.03 wt.%, 0.045 wt.%, 0.06 wt.%, 0.09 wt.%, 0.2 wt.%, and 0.3 wt.%). Additionally, the coupling of slow in situ acidification of the solution and rheometry was utilized to gain deeper insights into pH-induced structural transitions during the self assembly process and particle size distribution analysis have been used to determine the behavior of sodium caseinate solutions in different pHs. The formation of aggregates during the acidification process was clearly visualized using microscopy. Surprisingly the viscosity of sodium caseinate solution at pH 4.64 was maximum and decreased by lowering pH. Particle size analysis confirmed the onset of big aggregates on decreasing pH but further acidification led to formation of smaller aggregates. A small concentration effect on pI was seen where at sodium caseinate levels of 0.03 wt.% the pI occurred at 4.29, where at sodium caseinate levels of 0.30 wt.% pI value was 4.64.

Progress on the development of the next generation x-ray beam position monitors at the advanced photon source

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, S. H., E-mail: shlee@aps.anl.gov; Yang, B. X., E-mail: bxyang@aps.anl.gov; Decker, G., E-mail: decker@aps.anl.gov

Accurate and stable x-ray beam position monitors (XBPMs) are key elements in obtaining the desired user beam stability in the Advanced Photon Source (APS). The next generation XBPMs for high heat load front ends (HHL FEs) have been designed to meet these requirements by utilizing Cu K-edge x-ray fluorescence (XRF) from a pair of copper absorbers and have been installed at the front ends (FEs) of the APS. Commissioning data showed a significant performance improvement over the existing photoemission-based XBPMs. While a similar design concept can be applied for the canted undulator front ends, where two undulator beams are separatedmore » by 1.0-mrad, the lower beam power (< 10 kW) per undulator allows us to explore lower-cost solutions based on Compton scattering from the diamond blades placed edge-on to the x-ray beam. A prototype of the Compton scattering XBPM system was installed at 24-ID-A in May 2015. In this report, the design and test results for XRF-based XBPM and Compton scattering based XBPM are presented. Ongoing research related to the development of the next generation XBPMs on thermal contact resistance of a joint between two solid bodies is also discussed.« less

Using phase for radar scatterer classification

NASA Astrophysics Data System (ADS)

Moore, Linda J.; Rigling, Brian D.; Penno, Robert P.; Zelnio, Edmund G.

2017-04-01

Traditional synthetic aperture radar (SAR) systems tend to discard phase information of formed complex radar imagery prior to automatic target recognition (ATR). This practice has historically been driven by available hardware storage, processing capabilities, and data link capacity. Recent advances in high performance computing (HPC) have enabled extremely dense storage and processing solutions. Therefore, previous motives for discarding radar phase information in ATR applications have been mitigated. First, we characterize the value of phase in one-dimensional (1-D) radar range profiles with respect to the ability to correctly estimate target features, which are currently employed in ATR algorithms for target discrimination. These features correspond to physical characteristics of targets through radio frequency (RF) scattering phenomenology. Physics-based electromagnetic scattering models developed from the geometrical theory of diffraction are utilized for the information analysis presented here. Information is quantified by the error of target parameter estimates from noisy radar signals when phase is either retained or discarded. Operating conditions (OCs) of signal-tonoise ratio (SNR) and bandwidth are considered. Second, we investigate the value of phase in 1-D radar returns with respect to the ability to correctly classify canonical targets. Classification performance is evaluated via logistic regression for three targets (sphere, plate, tophat). Phase information is demonstrated to improve radar target classification rates, particularly at low SNRs and low bandwidths.

Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme

NASA Astrophysics Data System (ADS)

Liu, Xianglin; Wang, Yang; Eisenbach, Markus; Stocks, G. Malcolm

2018-03-01

The Green function plays an essential role in the Korringa-Kohn-Rostoker(KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn-Sham equation and robust methods exist for spherical potentials. However, when applied to a non-spherical potential, numerical errors from the irregular solutions give rise to pathological behaviors of the charge density at small radius. Here we present a full-potential implementation of the fully-relativistic KKR method to perform ab initio self-consistent calculation by directly solving the Dirac differential equations using the generalized variable phase (sine and cosine matrices) formalism Liu et al. (2016). The pathology around the origin is completely eliminated by carrying out the energy integration of the single-site Green function along the real axis. By using an efficient pole-searching technique to identify the zeros of the well-behaved Jost matrices, we demonstrated that this scheme is numerically stable and computationally efficient, with speed comparable to the conventional contour energy integration method, while free of the pathology problem of the charge density. As an application, this method is utilized to investigate the crystal structures of polonium and their bulk properties, which is challenging for a conventional real-energy scheme. The noble metals are also calculated, both as a test of our method and to study the relativistic effects.

Imaging secondary structure of individual amyloid fibrils of a β2-microglobulin fragment using near-field infrared spectroscopy.

PubMed

Paulite, Melissa; Fakhraai, Zahra; Li, Isaac T S; Gunari, Nikhil; Tanur, Adrienne E; Walker, Gilbert C

2011-05-18

Amyloid fibril diseases are characterized by the abnormal production of aggregated proteins and are associated with many types of neuro- and physically degenerative diseases. X-ray diffraction techniques, solid-state magic-angle spinning NMR spectroscopy, circular dichroism (CD) spectroscopy, and transmission electron microscopy studies have been utilized to detect and examine the chemical, electronic, material, and structural properties of amyloid fibrils at up to angstrom spatial resolution. However, X-ray diffraction studies require crystals of the fibril to be analyzed, while other techniques can only probe the bulk solution or solid samples. In the work reported here, apertureless near-field scanning infrared microscopy (ANSIM) was used to probe the secondary structure of individual amyloid fibrils made from an in vitro solution. Simultaneous topographic and infrared images of individual amyloid fibrils synthesized from the #21-31 peptide fragment of β(2)-microglobulin were acquired. Using this technique, IR spectra of the amyloid fibrils were obtained with a spatial resolution of less than 30 nm. It is observed that the experimental scattered field spectrum correlates strongly with that calculated using the far-field absorption spectrum. The near-field images of the amyloid fibrils exhibit much lower scattering of the IR radiation at approximately 1630 cm(-1). In addition, the near-field images also indicate that composition and/or structural variations among individual amyloid fibrils were present. © 2011 American Chemical Society

A Fast Vector Radiative Transfer Model for Atmospheric and Oceanic Remote Sensing

NASA Astrophysics Data System (ADS)

Ding, J.; Yang, P.; King, M. D.; Platnick, S. E.; Meyer, K.

2017-12-01

A fast vector radiative transfer model is developed in support of atmospheric and oceanic remote sensing. This model is capable of simulating the Stokes vector observed at the top of the atmosphere (TOA) and the terrestrial surface by considering absorption, scattering, and emission. The gas absorption is parameterized in terms of atmospheric gas concentrations, temperature, and pressure. The parameterization scheme combines a regression method and the correlated-K distribution method, and can easily integrate with multiple scattering computations. The approach is more than four orders of magnitude faster than a line-by-line radiative transfer model with errors less than 0.5% in terms of transmissivity. A two-component approach is utilized to solve the vector radiative transfer equation (VRTE). The VRTE solver separates the phase matrices of aerosol and cloud into forward and diffuse parts and thus the solution is also separated. The forward solution can be expressed by a semi-analytical equation based on the small-angle approximation, and serves as the source of the diffuse part. The diffuse part is solved by the adding-doubling method. The adding-doubling implementation is computationally efficient because the diffuse component needs much fewer spherical function expansion terms. The simulated Stokes vector at both the TOA and the surface have comparable accuracy compared with the counterparts based on numerically rigorous methods.

Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Xianglin; Wang, Yang; Eisenbach, Markus

The Green function plays an essential role in the Korringa–Kohn–Rostoker(KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn–Sham equation and robust methods exist for spherical potentials. However, when applied to a non-spherical potential, numerical errors from the irregular solutions give rise to pathological behaviors of the charge density at small radius. Here we present a full-potential implementation of the fully-relativistic KKR method to perform ab initio self-consistent calculation by directly solving the Dirac differential equations using the generalized variable phase (sine and cosine matrices) formalism Liu et al. (2016). Themore » pathology around the origin is completely eliminated by carrying out the energy integration of the single-site Green function along the real axis. Here, by using an efficient pole-searching technique to identify the zeros of the well-behaved Jost matrices, we demonstrated that this scheme is numerically stable and computationally efficient, with speed comparable to the conventional contour energy integration method, while free of the pathology problem of the charge density. As an application, this method is utilized to investigate the crystal structures of polonium and their bulk properties, which is challenging for a conventional real-energy scheme. The noble metals are also calculated, both as a test of our method and to study the relativistic effects.« less

Two dimensional J-matrix approach to quantum scattering

NASA Astrophysics Data System (ADS)

Olumegbon, Ismail Adewale

We present an extension of the J-matrix method of scattering to two dimensions in cylindrical coordinates. In the J-matrix approach we select a zeroth order Hamiltonian, H0, which is exactly solvable in the sense that we select a square integrable basis set that enable us to have an infinite tridiagonal representation for H0. Expanding the wavefunction in this basis makes the wave equation equivalent to a three-term recursion relation for the expansion coefficients. Consequently, finding solutions of the recursion relation is equivalent to solving the original H0 problem (i.e., determining the expansion coefficients of the system's wavefunction). The part of the original potential interaction which cannot be brought to an exact tridiagonal form is cut in an NxN basis space and its matrix elements are computed numerically using Gauss quadrature approach. Hence, this approach embodies powerful tools in the analysis of solutions of the wave equation by exploiting the intimate connection and interplay between tridiagonal matrices and the theory of orthogonal polynomials. In such analysis, one is at liberty to employ a wide range of well established methods and numerical techniques associated with these settings such as quadrature approximation and continued fractions. To demonstrate the utility, usefulness, and accuracy of the extended method we use it to obtain the bound states for an illustrative short range potential problem.

Two dimensional J-matrix approach to quantum scattering

NASA Astrophysics Data System (ADS)

Olumegbon, Ismail Adewale

2013-01-01

We present an extension of the J-matrix method of scattering to two dimensions in cylindrical coordinates. In the J-matrix approach we select a zeroth order Hamiltonian, H0, which is exactly solvable in the sense that we select a square integrable basis set that enable us to have an infinite tridiagonal representation for H0. Expanding the wavefunction in this basis makes the wave equation equivalent to a three-term recursion relation for the expansion coefficients. Consequently, finding solutions of the recursion relation is equivalent to solving the original H0 problem (i.e., determining the expansion coefficients of the system's wavefunction). The part of the original potential interaction which cannot be brought to an exact tridiagonal form is cut in an NxN basis space and its matrix elements are computed numerically using Gauss quadrature approach. Hence, this approach embodies powerful tools in the analysis of solutions of the wave equation by exploiting the intimate connection and interplay between tridiagonal matrices and the theory of orthogonal polynomials. In such analysis, one is at liberty to employ a wide range of well established methods and numerical techniques associated with these settings such as quadrature approximation and continued fractions. To demonstrate the utility, usefulness, and accuracy of the extended method we use it to obtain the bound states for an illustrative short range potential problem.

Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme

DOE PAGES

Liu, Xianglin; Wang, Yang; Eisenbach, Markus; ...

2017-10-28

The Green function plays an essential role in the Korringa–Kohn–Rostoker(KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn–Sham equation and robust methods exist for spherical potentials. However, when applied to a non-spherical potential, numerical errors from the irregular solutions give rise to pathological behaviors of the charge density at small radius. Here we present a full-potential implementation of the fully-relativistic KKR method to perform ab initio self-consistent calculation by directly solving the Dirac differential equations using the generalized variable phase (sine and cosine matrices) formalism Liu et al. (2016). Themore » pathology around the origin is completely eliminated by carrying out the energy integration of the single-site Green function along the real axis. Here, by using an efficient pole-searching technique to identify the zeros of the well-behaved Jost matrices, we demonstrated that this scheme is numerically stable and computationally efficient, with speed comparable to the conventional contour energy integration method, while free of the pathology problem of the charge density. As an application, this method is utilized to investigate the crystal structures of polonium and their bulk properties, which is challenging for a conventional real-energy scheme. The noble metals are also calculated, both as a test of our method and to study the relativistic effects.« less

Trimerization Dictates Solution Opalescence of a Monoclonal Antibody.

PubMed

Yang, Teng-Chieh; Langford, Alex Jacob; Kumar, Sandeep; Ruesch, John Carl; Wang, Wei

2016-08-01

Opalescence, sometimes observed in antibody solutions, is thought to be mediated by light scattering of soluble oligomers or insoluble particulates. However, mechanistic features, such as stoichiometry and self-association affinity of oligomeric species related to opalescence, are poorly understood. Here, opalescence behavior of a monoclonal antibody (mAb-1) solution was studied over a wide range of solution conditions including different protein concentrations, pH, and in the presence or absence of salt. Hydrodynamic and thermodynamic properties of mAb-1 solutions were studied by analytical ultracentrifugation and dynamic light scattering. Opalescence in mAb-1 solutions is pH and concentration dependent. The degree of opalescence correlates with reversible monomer-trimer equilibrium detected by analytical ultracentrifugation. Increased trimer formation corresponds to increased opalescence in mAb-1 solutions at higher pH and protein concentrations. Addition of NaCl shifts this equilibrium toward monomer and reduces solution opalescence. This study demonstrates that opalescence in mAb-1 solutions does not arise from the light scattering of monomer or random molecular self-associations but is strongly correlated with a specific self-association stoichiometry and affinity. Importantly, at pH 5.5 (far below isoelectric point of mAb-1), the solution is not opalescent and with nonideal behavior. This study also dissects several parameters to describe the hydrodynamic and thermodynamic nonideality. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Utility of High Throughput Screening Techniques to Predict Stability of Monoclonal Antibody Formulations During Early Stage Development.

PubMed

Goldberg, Deborah S; Lewus, Rachael A; Esfandiary, Reza; Farkas, David C; Mody, Neil; Day, Katrina J; Mallik, Priyanka; Tracka, Malgorzata B; Sealey, Smita K; Samra, Hardeep S

2017-08-01

Selecting optimal formulation conditions for monoclonal antibodies for first time in human clinical trials is challenging due to short timelines and reliance on predictive assays to ensure product quality and adequate long-term stability. Accelerated stability studies are considered to be the gold standard for excipient screening, but they are relatively low throughput and time consuming. High throughput screening (HTS) techniques allow for large amounts of data to be collected quickly and easily, and can be used to screen solution conditions for early formulation development. The utility of using accelerated stability compared to HTS techniques (differential scanning light scattering and differential scanning fluorescence) for early formulation screening was evaluated along with the impact of excipients of various types on aggregation of monoclonal antibodies from multiple IgG subtypes. The excipient rank order using quantitative HTS measures was found to correlate with accelerated stability aggregation rate ranking for only 33% (by differential scanning fluorescence) to 42% (by differential scanning light scattering) of the antibodies tested, due to the high intrinsic stability and minimal impact of excipients on aggregation rates and HTS data. Also explored was a case study of employing a platform formulation instead of broader formulation screening for early formulation development. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

SAR Polarimetry

NASA Technical Reports Server (NTRS)

vanZyl, Jakob J.

2012-01-01

Radar Scattering includes: Surface Characteristics, Geometric Properties, Dielectric Properties, Rough Surface Scattering, Geometrical Optics and Small Perturbation Method Solutions, Integral Equation Method, Magellan Image of Pancake Domes on Venus, Dickinson Impact Crater on Venus (Magellan), Lakes on Titan (Cassini Radar, Longitudinal Dunes on Titan (Cassini Radar), Rough Surface Scattering: Effect of Dielectric Constant, Vegetation Scattering, Effect of Soil Moisture. Polarimetric Radar includes: Principles of Polarimetry: Field Descriptions, Wave Polarizations: Geometrical Representations, Definition of Ellipse Orientation Angles, Scatter as Polarization Transformer, Scattering Matrix, Coordinate Systems, Scattering Matrix, Covariance Matrix, Pauli Basis and Coherency Matrix, Polarization Synthesis, Polarimeter Implementation.

Roy-Steiner-equation analysis of pion-nucleon scattering

NASA Astrophysics Data System (ADS)

Hoferichter, Martin; Ruiz de Elvira, Jacobo; Kubis, Bastian; Meißner, Ulf-G.

2016-04-01

We review the structure of Roy-Steiner equations for pion-nucleon scattering, the solution for the partial waves of the t-channel process ππ → N ¯ N, as well as the high-accuracy extraction of the pion-nucleon S-wave scattering lengths from data on pionic hydrogen and deuterium. We then proceed to construct solutions for the lowest partial waves of the s-channel process πN → πN and demonstrate that accurate solutions can be found if the scattering lengths are imposed as constraints. Detailed error estimates of all input quantities in the solution procedure are performed and explicit parameterizations for the resulting low-energy phase shifts as well as results for subthreshold parameters and higher threshold parameters are presented. Furthermore, we discuss the extraction of the pion-nucleon σ-term via the Cheng-Dashen low-energy theorem, including the role of isospin-breaking corrections, to obtain a precision determination consistent with all constraints from analyticity, unitarity, crossing symmetry, and pionic-atom data. We perform the matching to chiral perturbation theory in the subthreshold region and detail the consequences for the chiral convergence of the threshold parameters and the nucleon mass.

Lectures on the scattering of light. [by dielectric sphere

NASA Technical Reports Server (NTRS)

Saxon, D. S.

1974-01-01

The exact (Mie) theory for the scattering of a plane wave by a dielectric sphere is presented. Since this infinite series solution is computationally impractical for large spheres, another formulation is given in terms of an integral equation valid for a bounded, but otherwise general array of scatterers. This equation is applied to the scattering by a single sphere, and several methods are suggested for approximating the scattering cross section in closed form. A tensor scattering matrix is introduced, in terms of which some general scattering theorems are derived. The application of the formalism to multiple scattering is briefly considered.

Two-photon processes based on quantum commutators

NASA Astrophysics Data System (ADS)

Fratini, F.; Safari, L.; Amaro, P.; Santos, J. P.

2018-04-01

We developed a method to calculate two-photon processes in quantum mechanics that replaces the infinite summation over the intermediate states by a perturbation expansion. This latter consists of a series of commutators that involve position, momentum, and Hamiltonian quantum operators. We analyzed several single- and many-particle cases for which a closed-form solution to the perturbation expansion exists, as well as more complicated cases for which a solution is found by convergence. Throughout the article, Rayleigh and Raman scattering are taken as examples of two-photon processes. The present method provides a clear distinction between the Thomson scattering, regarded as classical scattering, and quantum contributions. Such a distinction lets us derive general results concerning light scattering. Finally, possible extensions to the developed formalism are discussed.

Modal ring method for the scattering of sound

NASA Technical Reports Server (NTRS)

Baumeister, Kenneth J.; Kreider, Kevin L.

1993-01-01

The modal element method for acoustic scattering can be simplified when the scattering body is rigid. In this simplified method, called the modal ring method, the scattering body is represented by a ring of triangular finite elements forming the outer surface. The acoustic pressure is calculated at the element nodes. The pressure in the infinite computational region surrounding the body is represented analytically by an eigenfunction expansion. The two solution forms are coupled by the continuity of pressure and velocity on the body surface. The modal ring method effectively reduces the two-dimensional scattering problem to a one-dimensional problem capable of handling very high frequency scattering. In contrast to the boundary element method or the method of moments, which perform a similar reduction in problem dimension, the model line method has the added advantage of having a highly banded solution matrix requiring considerably less computer storage. The method shows excellent agreement with analytic results for scattering from rigid circular cylinders over a wide frequency range (1 is equal to or less than ka is less than or equal to 100) in the near and far fields.

Metal Sorbing Vesicles: Light Scattering Characterization and Metal Sorbtion Behavior.

NASA Astrophysics Data System (ADS)

van Zanten, John Hollis

1992-01-01

The research described herein consisted of two parts: light scattering characterization of vesicles and kinetic investigations of metal sorbing vesicles. Static light scattering techniques can be used to determine the geometric size, shape and apparent molecular weight of phosphatidylcholine vesicles in aqueous suspension. A Rayleigh-Gans-Debye (RGD) approximation analysis of multiangle scattered light intensity data yields the size and degree of polydispersity of the vesicles in solution, while the Zimm plot technique provides the radius of gyration and apparent weight-average molecular weight. Together the RGD approximation and Zimm plots can be used to confirm the geometric shape of vesicles and can give a good estimate of the vesicle wall thickness in some cases. Vesicles varying from 40 to 115 nm in diameter have been characterized effectively. The static light scattering measurements indicate that, as expected, phosphatidylcholine vesicles in this size range scatter light as isotropic hollow spheres. Additionally, static and dynamic light scattering measurements have been made and compared with one another. The values for geometric radii determined by static light scattering typically agree with those estimated by dynamic light scattering to within a few percent. Interestingly however, dynamic measurements suggest that there is a significant degree of polydispersity present in the vesicle dispersions, while static measurements indicate near size monodisperse dispersions. Metal sorbing vesicles which harbor ionophores, such as antibiotic A23187 and synthetic carriers, in their bilayer membranes have been produced. These vesicles also encapsulate the chelating compound, nitrilotriacetate, to provide the driving force for metal ion uptake. Very dilute dispersions (on the order of 0.03% w/v) of these metal sorbing vesicles were capable of removing Cd ^{2+} and Pb^{2+ } from dilute aqueous solution (5 ppm and less) and concentrating these metal ions several hundred to more than a thousand fold in the vesicle interior in a few minutes time. Synthetic ionophores were found to preferentially transport Pb^{2+} over Cd^{2+}, thus suggesting that engineered vesicle dispersions can be used as selective separations media. The effect of ionophore concentration, solution pH, solution ionic strength, initial metal ion concentration and vesicle concentration have been investigated.

The application of the principles of invariance to the radiative transfer equation in plant canopies

NASA Technical Reports Server (NTRS)

Ganapol, B. D.; Myneni, R. B.

1992-01-01

Solutions of the radiative transfer equation describing photon interactions with vegetation canopies are important in remote sensing since they provide the canopy reflectance distribution required in the interpretation of satellite acquired information. The general one-dimensional two-angle transport problem for a finite copy of arbitrary leaf angle distribution is considered. Analytical solutions are obtained in terms of generalized Chandrasekhar's X- and Y-functions by invoking the principles of invariance. A critical step in the formulation involves the decomposition of the integral of the scattering phase function into a product of known functions of the incident and scattered photon directions. Several simplified cases previously considered in the literature are derived from the generalized solution. Various symmetries obeyed by the scattering operator and reciprocity relations are formally proved.

Cloud-based Monte Carlo modelling of BSSRDF for the rendering of human skin appearance (Conference Presentation)

NASA Astrophysics Data System (ADS)

Doronin, Alexander; Rushmeier, Holly E.; Meglinski, Igor; Bykov, Alexander V.

2016-03-01

We present a new Monte Carlo based approach for the modelling of Bidirectional Scattering-Surface Reflectance Distribution Function (BSSRDF) for accurate rendering of human skin appearance. The variations of both skin tissues structure and the major chromophores are taken into account correspondingly to the different ethnic and age groups. The computational solution utilizes HTML5, accelerated by the graphics processing units (GPUs), and therefore is convenient for the practical use at the most of modern computer-based devices and operating systems. The results of imitation of human skin reflectance spectra, corresponding skin colours and examples of 3D faces rendering are presented and compared with the results of phantom studies.

Applications of thin-film sandwich crystallization platforms.

PubMed

Axford, Danny; Aller, Pierre; Sanchez-Weatherby, Juan; Sandy, James

2016-04-01

Examples are shown of protein crystallization in, and data collection from, solutions sandwiched between thin polymer films using vapour-diffusion and batch methods. The crystallization platform is optimal for both visualization and in situ data collection, with the need for traditional harvesting being eliminated. In wells constructed from the thinnest plastic and with a minimum of aqueous liquid, flash-cooling to 100 K is possible without significant ice formation and without any degradation in crystal quality. The approach is simple; it utilizes low-cost consumables but yields high-quality data with minimal sample intervention and, with the very low levels of background X-ray scatter that are observed, is optimal for microcrystals.

An empirical model for polarized and cross-polarized scattering from a vegetation layer

NASA Technical Reports Server (NTRS)

Liu, H. L.; Fung, A. K.

1988-01-01

An empirical model for scattering from a vegetation layer above an irregular ground surface is developed in terms of the first-order solution for like-polarized scattering and the second-order solution for cross-polarized scattering. The effects of multiple scattering within the layer and at the surface-volume boundary are compensated by using a correction factor based on the matrix doubling method. The major feature of this model is that all parameters in the model are physical parameters of the vegetation medium. There are no regression parameters. Comparisons of this empirical model with theoretical matrix-doubling method and radar measurements indicate good agreements in polarization, angular trends, and k sub a up to 4, where k is the wave number and a is the disk radius. The computational time is shortened by a factor of 8, relative to the theoretical model calculation.

Structure of polyacrylic acid and polymethacrylic acid solutions : a small angle neutron scattering study

NASA Astrophysics Data System (ADS)

Moussaid, A.; Schosseler, F.; Munch, J. P.; Candau, S. J.

1993-04-01

The intensity scattered from polyacrylic acid and polymethacrylic acid solutions has been measured by small angle neutron scattering experiemnts. The influence of polymer concentration, ionization degree, temperature and salt content has been investigated. Results are in qualitative agreement with a model which predicts the existence of microphases in the unstable region of the phase diagram. Quantitative comparison with the theory is performed by fitting the theoretical structure factor to the experimental data. For a narrow range of ionizaiton degrees nearly quantitative agreement with the theory is found for the polyacrylic acide system.

Laser Velocimeter for Studies of Microgravity Combustion Flowfields

NASA Technical Reports Server (NTRS)

Varghese, P. L.; Jagodzinski, J.

2001-01-01

We are currently developing a velocimeter based on modulated filtered Rayleigh scattering (MFRS), utilizing diode lasers to make measurements in an unseeded gas or flame. MFRS is a novel variation of filtered Rayleigh scattering, utilizing modulation absorption spectroscopy to detect a strong absorption of a weak Rayleigh scattered signal. A rubidium (Rb) vapor filter is used to provide the relatively strong absorption and semiconductor diode lasers generate the relatively weak Rayleigh scattered signal. Alkali metal vapors have a high optical depth at modest vapor pressures, and their narrow linewidth is ideally suited for high-resolution velocimetry; the compact, rugged construction of diode lasers makes them ideally suited for microgravity experimentation. Molecular Rayleigh scattering of laser light simplifies flow measurements as it obviates the complications of flow-seeding. The MFRS velocimeter should offer an attractive alternative to comparable systems, providing a relatively inexpensive means of measuring velocity in unseeded flows and flames.

Utility of light scatter in the morphological analysis of sperm

EPA Science Inventory

We were able to differentiate the morphologically diverse sperm nuclei of four animal species by using an Ortho flow cytometer to detect the forward light scatter from a red (helium-neon) laser. Cytograms depicting the axial light loss and forward red scatter signals revealed uni...

A conservative spectral method for the Boltzmann equation with anisotropic scattering and the grazing collisions limit

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gamba, Irene M.; ICES, The University of Texas at Austin, 201 E. 24th St., Stop C0200, Austin, TX 78712; Haack, Jeffrey R.

2014-08-01

We present the formulation of a conservative spectral method for the Boltzmann collision operator with anisotropic scattering cross-sections. The method is an extension of the conservative spectral method of Gamba and Tharkabhushanam [17,18], which uses the weak form of the collision operator to represent the collisional term as a weighted convolution in Fourier space. The method is tested by computing the collision operator with a suitably cut-off angular cross section and comparing the results with the solution of the Landau equation. We analytically study the convergence rate of the Fourier transformed Boltzmann collision operator in the grazing collisions limit tomore » the Fourier transformed Landau collision operator under the assumption of some regularity and decay conditions of the solution to the Boltzmann equation. Our results show that the angular singularity which corresponds to the Rutherford scattering cross section is the critical singularity for which a grazing collision limit exists for the Boltzmann operator. Additionally, we numerically study the differences between homogeneous solutions of the Boltzmann equation with the Rutherford scattering cross section and an artificial cross section, which give convergence to solutions of the Landau equation at different asymptotic rates. We numerically show the rate of the approximation as well as the consequences for the rate of entropy decay for homogeneous solutions of the Boltzmann equation and Landau equation.« less

Aggregation of concentrated monoclonal antibody solutions studied by rheology and neutron scattering

NASA Astrophysics Data System (ADS)

Castellanos, Maria Monica; Pathak, Jai; Colby, Ralph

2013-03-01

Protein solutions are studied using rheology and scattering techniques to investigate aggregation. Here we present a monoclonal antibody (mAb) that aggregates after incubation at 40 °C (below its unfolding temperature), with a decrease in monomer purity of 6% in 10 days. The mAb solution contains surfactant and behaves as a Newtonian fluid when reconstituted into solution from the lyophilized form (before incubation at 40 °C). In contrast, mAb solutions incubated at 40 °C for 1 month exhibit shear yielding in torsional bulk rheometers. Interfacial rheology reveals that interfacial properties are controlled by the surfactant, producing a negligible surface contribution to the bulk yield stress. These results provide evidence that protein aggregates formed in the bulk are responsible for the yield stress. Small-angle neutron scattering (SANS) measurements show an increase in intensity at low wavevectors (q < 4*10-2 nm-1) that we attribute to protein aggregation, and is not observed in solutions stored at 4 °C for 3 days before the measurement. This work suggests a correlation between the aggregated state of the protein (stability) and the yield stress from rheology. Research funded by MedImmune

Deployment Optimization for Embedded Flight Avionics Systems

DTIC Science & Technology

2011-11-01

the iterations, the best solution(s) that evolved out from the group is output as the result. Although metaheuristic algorithms are powerful, they...that other design constraints are met—ScatterD uses metaheuristic algorithms to seed the bin-packing algorithm . In particular, metaheuristic ... metaheuristic algorithms to search the design space—and then using bin-packing to allocate software tasks to processors—ScatterD can generate

Nonlinear Problems in Fluid Dynamics and Inverse Scattering

DTIC Science & Technology

1993-05-31

nonlinear Kadomtsev - Petviashvili (KP) equations , have solutions which will become infinite in finite time. This phenomenon is sometimes referred to as...40 (November 1992). 4 7. Wave Collapse and Instability of Solitary Waves of a Generalized Nonlinear Kaoiomtsev- Petviashvili Equation , X.P. Wang, M.J...words) The inverse scattering of a class of differential-difference equations and multidimensional operators has been constructed. Solutions of nonlinear

Target correlation effects on neutron-nucleus total, absorption, and abrasion cross sections

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.; Townsend, Lawrence W.; Wilson, John W.

1991-01-01

Second order optical model solutions to the elastic scattering amplitude were used to evaluate total, absorption, and abrasion cross sections for neutron nucleus scattering. Improved agreement with experimental data for total and absorption cross sections is found when compared with first order (coherent approximation) solutions, especially below several hundred MeV. At higher energies, the first and second order solutions are similar. There are also large differences in abrasion cross section calculations; these differences indicate a crucial role for cluster knockout in the abrasion step.

Liquid-core photonic crystal fiber platform for raman scattering measurements of microliter analyte solutions

NASA Astrophysics Data System (ADS)

Han, Yun; Oo, Maung Khaing; Zhu, Yinian; Sukhishvili, Svetlana; Xiao, Limin; Demokan, M. Süleyman; Jin, Wei; Du, Henry

2007-09-01

We have explored the use of index-guiding liquid-core photonic crystal fiber (LC-PCF) as a platform for sensing and measurements of analyte solutions of minute volume by normal and surface-enhanced Raman scattering (SERS). The index-guiding LC-PCF was fabricated by selectively sealing via fusion splicing the cladding air channels of a hollow-core PCF (HC-PCF) while leaving the center core open at both ends of the fiber. The center core of the resultant fiber was subsequently filled with water-ethanol solution mixtures at various ethanol concentrations for normal Raman scattering measurements and with water-thiocynate solutions containing Ag nanoparticle aggregates for SERS detection of thiocynate at trace concentrations. The light-guiding nature in the solution phase inside the LC-PCF allows direct and strong light-field overlap with the solution phase over the entire length of the PCF (~30 cm). This detection scheme also dramatically reduces the contribution of silica to Raman spectral background, compared with the solid-core counterpart, thus its potential interference in spectral analysis. These features attribute to ready normal Raman measurements of water, ethanol, and water (99 vol.%)-ethanol (1 vol.%) solutions as well as sensitive and reproducible SERS detection of ~10 ppb thiocynate in water, all at a volume of ~0.1 μL.

Asymptotic Solutions for Optical Properties of Large Particles with Strong Absorption

NASA Technical Reports Server (NTRS)

Yang, Ping; Gao, Bo-Cai; Baum, Bryan A.; Hu, Yong X.; Wiscombe, Warren J.; Mishchenko, Michael I.; Winker, Dave M.; Nasiri, Shaima L.; Einaudi, Franco (Technical Monitor)

2000-01-01

For scattering calculations involving nonspherical particles such as ice crystals, we show that the transverse wave condition is not applicable to the refracted electromagnetic wave in the context of geometric optics when absorption is involved. Either the TM wave condition (i.e., where the magnetic field of the refracted wave is transverse with respect to the wave direction) or the TE wave condition (i.e., where the electric field is transverse with respect to the propagating direction of the wave) may be assumed for the refracted wave in an absorbing medium to locally satisfy the electromagnetic boundary condition in the ray tracing calculation. The wave mode assumed for the refracted wave affects both the reflection and refraction coefficients. As a result, a nonunique solution for these coefficients is derived from the electromagnetic boundary condition. In this study we have identified the appropriate solution for the Fresnel reflection/refraction coefficients in light scattering calculation based on the ray tracing technique. We present the 3 x 2 refraction or transmission matrix that completely accounts for the inhomogeneity of the refracted wave in an absorbing medium. Using the Fresnel coefficients for an absorbing medium, we derive an asymptotic solution in an analytical format for the scattering properties of a general polyhedral particle. Numerical results are presented for hexagonal plates and columns with both preferred and random orientations. The asymptotic theory can produce reasonable accuracy in the phase function calculations in the infrared window region (wavelengths near 10 micron) if the particle size (in diameter) is on the order of 40 micron or larger. However, since strong absorption is assumed in the computation of the single-scattering albedo in the asymptotic theory, the single scattering albedo does not change with variation of the particle size. As a result, the asymptotic theory can lead to substantial errors in the computation of single-scattering albedo for small and moderate particle sizes. However, from comparison of the asymptotic results with the FDTD solution, it is expected that a convergence between the FDTD results and the asymptotic theory results can be reached when the particle size approaches 200 micron. We show that the phase function at side-scattering and backscattering angles is insensitive to particle shape if the random orientation condition is assumed. However, if preferred orientations are assumed for particles, the phase function has a strong dependence on scattering azimuthal angle. The single-scattering albedo also shows very strong dependence on the inclination angle of incident radiation with respect to the rotating axis for the preferred particle orientations.

FDVIBSPC16: Sheath Flow SERS for Chemical Profiling in Urine

PubMed Central

Riordan, Colleen M.; Jacobs, Kevin T.; Negri, Pierre; Schultz, Zachary D.

2016-01-01

The molecular specificity and sensitivity of surface enhanced Raman scattering (SERS) makes it an attractive method for biomedical diagnostics. Here we present results demonstrating the utility and complications for SERS characterization in urine. The chemical fingerprint characteristic of Raman spectra suggests use as a label free diagnostic; however, the complex composition of biological fluids presents a tremendous challenge. In particular, the limited number of surface sites and competing absorption tend to mask the presence of analytes in solution, particularly when the solution contains multiple analytes. To address these problems and characterize biological fluids we have demonstrated a sheath-flow interface for SERS detection. This sheath-flow SERS interface uses hydrodynamic focusing to confine analyte molecules eluting out of a column onto a planar SERS substrate where the molecules are detected by their intrinsic SERS signal. In this report we compare direct detection of benzoylecgonine in urine using DSERS with chemical profiling by capillary zone electrophoresis and sheath-flow SERS detection. The SERS spectrum from the observed migration peaks can identify benzoylecgonine and other distinct spectra are also observed, suggesting improved chemical diagnostics in urine. With over 2000 reported compounds in urine, identification of each of the detected species is an enormous task. Nonetheless, these samples provide a benchmark to establish the potential clinical utility of sheath-flow SERS detection. PMID:27034996

Multidetector Scattering as a Probe of Local Structure in Disordered Phases

NASA Astrophysics Data System (ADS)

Clark, Noel A.; Ackerson, Bruce J.; Hurd, Alan J.

1983-05-01

The local translational structure of a two-dimensional colloidal liquid is observed by use of cross correlation of the intensity fluctuations of light scattered by the liquid through two different wave vectors. The utility of multidetector scattering in probing multipoint correlations in disordered phases is thereby demonstrated unambiguously.

Biological Small Angle Scattering: Techniques, Strategies and Tips

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chaudhuri, Barnali; Muñoz, Inés G.; Urban, Volker S.

This book provides a clear, comprehensible and up-to-date description of how Small Angle Scattering (SAS) can help structural biology researchers. SAS is an efficient technique that offers structural information on how biological macromolecules behave in solution. SAS provides distinct and complementary data for integrative structural biology approaches in combination with other widely used probes, such as X-ray crystallography, Nuclear magnetic resonance, Mass spectrometry and Cryo-electron Microscopy. The development of brilliant synchrotron small-angle X-ray scattering (SAXS) beam lines has increased the number of researchers interested in solution scattering. SAS is especially useful for studying conformational changes in proteins, highly flexible proteins,more » and intrinsically disordered proteins. Small-angle neutron scattering (SANS) with neutron contrast variation is ideally suited for studying multi-component assemblies as well as membrane proteins that are stabilized in surfactant micelles or vesicles. SAS is also used for studying dynamic processes of protein fibrillation in amyloid diseases, and pharmaceutical drug delivery. The combination with size-exclusion chromatography further increases the range of SAS applications.The book is written by leading experts in solution SAS methodologies. The principles and theoretical background of various SAS techniques are included, along with practical aspects that range from sample preparation to data presentation for publication. Topics covered include techniques for improving data quality and analysis, as well as different scientific applications of SAS. With abundant illustrations and practical tips, we hope the clear explanations of the principles and the reviews on the latest progresses will serve as a guide through all aspects of biological solution SAS.The scope of this book is particularly relevant for structural biology researchers who are new to SAS. Advanced users of the technique will find it helpful for exploring the diversity of solution SAS methods and applications.« less

Osmotic virial coefficients for model protein and colloidal solutions: importance of ensemble constraints in the analysis of light scattering data.

PubMed

Siderius, Daniel W; Krekelberg, William P; Roberts, Christopher J; Shen, Vincent K

2012-05-07

Protein-protein interactions in solution may be quantified by the osmotic second virial coefficient (OSVC), which can be measured by various experimental techniques including light scattering. Analysis of Rayleigh light scattering measurements from such experiments requires identification of a scattering volume and the thermodynamic constraints imposed on that volume, i.e., the statistical mechanical ensemble in which light scattering occurs. Depending on the set of constraints imposed on the scattering volume, one can obtain either an apparent OSVC, A(2,app), or the true thermodynamic OSVC, B(22)(osm), that is rigorously defined in solution theory [M. A. Blanco, E. Sahin, Y. Li, and C. J. Roberts, J. Chem. Phys. 134, 225103 (2011)]. However, it is unclear to what extent A(2,app) and B(22)(osm) differ, which may have implications on the physical interpretation of OSVC measurements from light scattering experiments. In this paper, we use the multicomponent hard-sphere model and a well-known equation of state to directly compare A(2,app) and B(22)(osm). Our results from the hard-sphere equation of state indicate that A(2,app) underestimates B(22)(osm), but in a systematic manner that may be explained using fundamental thermodynamic expressions for the two OSVCs. The difference between A(2,app) and B(22)(osm) may be quantitatively significant, but may also be obscured in experimental application by statistical uncertainty or non-steric interactions. Consequently, the two OSVCs that arise in the analysis of light scattering measurements do formally differ, but in a manner that may not be detectable in actual application.

A combined finite element-boundary integral formulation for solution of two-dimensional scattering problems via CGFFT. [Conjugate Gradient Fast Fourier Transformation

NASA Technical Reports Server (NTRS)

Collins, Jeffery D.; Volakis, John L.; Jin, Jian-Ming

1990-01-01

A new technique is presented for computing the scattering by 2-D structures of arbitrary composition. The proposed solution approach combines the usual finite element method with the boundary-integral equation to formulate a discrete system. This is subsequently solved via the conjugate gradient (CG) algorithm. A particular characteristic of the method is the use of rectangular boundaries to enclose the scatterer. Several of the resulting boundary integrals are therefore convolutions and may be evaluated via the fast Fourier transform (FFT) in the implementation of the CG algorithm. The solution approach offers the principal advantage of having O(N) memory demand and employs a 1-D FFT versus a 2-D FFT as required with a traditional implementation of the CGFFT algorithm. The speed of the proposed solution method is compared with that of the traditional CGFFT algorithm, and results for rectangular bodies are given and shown to be in excellent agreement with the moment method.

A combined finite element and boundary integral formulation for solution via CGFFT of 2-dimensional scattering problems

NASA Technical Reports Server (NTRS)

Collins, Jeffery D.; Volakis, John L.

1989-01-01

A new technique is presented for computing the scattering by 2-D structures of arbitrary composition. The proposed solution approach combines the usual finite element method with the boundary integral equation to formulate a discrete system. This is subsequently solved via the conjugate gradient (CG) algorithm. A particular characteristic of the method is the use of rectangular boundaries to enclose the scatterer. Several of the resulting boundary integrals are therefore convolutions and may be evaluated via the fast Fourier transform (FFT) in the implementation of the CG algorithm. The solution approach offers the principle advantage of having O(N) memory demand and employs a 1-D FFT versus a 2-D FFT as required with a traditional implementation of the CGFFT algorithm. The speed of the proposed solution method is compared with that of the traditional CGFFT algorithm, and results for rectangular bodies are given and shown to be in excellent agreement with the moment method.

[Primary Study on Predicting the Termination of Paroxysmal Atrial Fibrillation Based on a Novel RdR RR Intervals Scatter Plot].

PubMed

Lu, Hongwei; Zhang, Chenxi; Sun, Ying; Hao, Zhidong; Wang, Chunfang; Tian, Jiajia

2015-08-01

Predicting the termination of paroxysmal atrial fibrillation (AF) may provide a signal to decide whether there is a need to intervene the AF timely. We proposed a novel RdR RR intervals scatter plot in our study. The abscissa of the RdR scatter plot was set to RR intervals and the ordinate was set as the difference between successive RR intervals. The RdR scatter plot includes information of RR intervals and difference between successive RR intervals, which captures more heart rate variability (HRV) information. By RdR scatter plot analysis of one minute RR intervals for 50 segments with non-terminating AF and immediately terminating AF, it was found that the points in RdR scatter plot of non-terminating AF were more decentralized than the ones of immediately terminating AF. By dividing the RdR scatter plot into uniform grids and counting the number of non-empty grids, non-terminating AF and immediately terminating AF segments were differentiated. By utilizing 49 RR intervals, for 20 segments of learning set, 17 segments were correctly detected, and for 30 segments of test set, 20 segments were detected. While utilizing 66 RR intervals, for 18 segments of learning set, 16 segments were correctly detected, and for 28 segments of test set, 20 segments were detected. The results demonstrated that during the last one minute before the termination of paroxysmal AF, the variance of the RR intervals and the difference of the neighboring two RR intervals became smaller. The termination of paroxysmal AF could be successfully predicted by utilizing the RdR scatter plot, while the predicting accuracy should be further improved.

Responsive copolymers for enhanced petroleum recovery. Quarterly technical progress report, June 23--September 21, 1994

DOE Office of Scientific and Technical Information (OSTI.GOV)

McCormick, C.; Hester, R.

Summaries are given on the technical progress on three tasks of this project. Monomer and polymer synthesis discusses the preparation of 1(7-aminoheptyloxymethyl)naphthalene and poly(maleic anhydride-alt-ethyl vinyl ether). Task 2, Characterization of molecular structure, discusses terpolymer solution preparation, UV analysis, fluorescence analysis, low angle laser light scattering, and viscometry. The paper discusses the effects of hydrophobic groups, the effect of pH, the effect of electrolyte addition, and photophysical studies. Task 3, Solution properties, describes the factorial experimental design for characterizing polymer solutions by light scattering, the light scattering test model, orthogonal factorial test design, linear regression in coded space, confidence levelmore » for coded space test mode coefficients, coefficients of the real space test model, and surface analysis of the model equations.« less

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.

Rapid automated superposition of shapes and macromolecular models using spherical harmonics.

PubMed

Konarev, Petr V; Petoukhov, Maxim V; Svergun, Dmitri I

2016-06-01

A rapid algorithm to superimpose macromolecular models in Fourier space is proposed and implemented ( SUPALM ). The method uses a normalized integrated cross-term of the scattering amplitudes as a proximity measure between two three-dimensional objects. The reciprocal-space algorithm allows for direct matching of heterogeneous objects including high- and low-resolution models represented by atomic coordinates, beads or dummy residue chains as well as electron microscopy density maps and inhomogeneous multi-phase models ( e.g. of protein-nucleic acid complexes). Using spherical harmonics for the computation of the amplitudes, the method is up to an order of magnitude faster than the real-space algorithm implemented in SUPCOMB by Kozin & Svergun [ J. Appl. Cryst. (2001 ▸), 34 , 33-41]. The utility of the new method is demonstrated in a number of test cases and compared with the results of SUPCOMB . The spherical harmonics algorithm is best suited for low-resolution shape models, e.g . those provided by solution scattering experiments, but also facilitates a rapid cross-validation against structural models obtained by other methods.

Simple Approach for the Rapid Detection of Alternariol in Pear Fruit by Surface-Enhanced Raman Scattering with Pyridine-Modified Silver Nanoparticles.

PubMed

Pan, Ting-Tiao; Sun, Da-Wen; Pu, Hongbin; Wei, Qingyi

2018-03-07

A simple method based on surface-enhanced Raman scattering (SERS) was developed for the rapid determination of alternariol (AOH) in pear fruits using an easily prepared silver-nanoparticle (AgNP) substrate. The AgNP substrate was modified by pyridine to circumvent the weak affinity of the AOH molecules to the silver surface and to improve the sensitivity of detection. Quantitative analysis was performed in AOH solutions at concentrations ranging from 3.16 to 316.0 μg/L, and the limit of detection was 1.30 μg/L. The novel method was also applied to the detection of AOH residues in pear fruits purchased from the market and in pear fruits that were artificially inoculated with Alternaria alternata. AOH was not found in any of the fresh fruit, whereas it resided in the rotten and inoculated fruits. Finally, the SERS method was cross validated against HPLC. It was revealed that the SERS method has great potential utility in the rapid detection of AOH in pear fruits and other agricultural products.

Application of the Boundary Element Method to Elastic Wave Scattering Problems in Ultrasonic Nondestructive Evaluation.

NASA Astrophysics Data System (ADS)

Schafbuch, Paul Jay

The boundary element method (BEM) is used to numerically simulate the interaction of ultrasonic waves with material defects such as voids, inclusions, and open cracks. The time harmonic formulation is in 3D and therefore allows flaws of arbitrary shape to be modeled. The BEM makes such problems feasible because the underlying boundary integral equation only requires a surface (2D) integration and difficulties associated with the seemingly infinite extent of the host domain are not encountered. The computer code utilized in this work is built upon recent advances in elastodynamic boundary element theory such as a scheme for self adjusting integration order and singular integration regularization. Incident fields may be taken as compressional or shear plane waves or predicted by an approximate Gauss -Hermite beam model. The code is highly optimized for voids and has been coupled with computer aided engineering packages for automated flaw shape definition and mesh generation. Subsequent graphical display of intermediate results supports model refinement and physical interpretation. Final results are typically cast in a nondestructive evaluation (NDE) context as either scattering amplitudes or flaw signals (via a measurement model based on a reciprocity integral). The near field is also predicted which allows for improved physical insight into the scattering process and the evaluation of certain modeling approximations. The accuracy of the BEM approach is first examined by comparing its predictions to those of other models for single, isolated scatterers. The comparisons are with the predictions of analytical solutions for spherical defects and with MOOT and T-matrix calculations for axisymmetric flaws. Experimental comparisons are also made for volumetric shapes with different characteristic dimensions in all three directions, since no other numerical approach has yet produced results of this type. Theoretical findings regarding the fictitious eigenfrequency difficulty are substantiated through the analytical solution of a fundamental elastodynamics problem and corresponding BEM studies. Given the confidence in the BEM technique engendered by these comparisons, it is then used to investigate the modeling of "open", cracklike defects amenable to a volumetric formulation. The limits of applicability of approximate theories (e.g., quasistatic, Kirchhoff, and geometric theory of diffraction) are explored for elliptical cracks, from this basis. The problem of two interacting scatterers is then considered. Results from a fully implicit approach and from a more efficient hybrid scheme are compared with generalized Born and farfield approximate interaction theories.

Application of the boundary element method to elastic wave scattering problems in ultrasonic nondestructive evaluation

NASA Astrophysics Data System (ADS)

Schafbuch, Paul Jay

1991-02-01

The boundary element method (BEM) is used to numerically simulate the interaction of ultrasonic waves with material defects such as voids, inclusions, and open cracks. The time harmonic formulation is in 3D and therefore allows flaws of arbitrary shape to be modeled. The BEM makes such problems feasible because the underlying boundary integral equation only requires a surface (2D) integration and difficulties associated with the seemingly infinite extent of the host domain are not encountered. The computer code utilized in this work is built upon recent advances in elastodynamic boundary element theory such as a scheme for self adjusting integration order and singular integration regularization. Incident fields may be taken as compressional or shear plane waves or predicted by an approximate Gauss-Hermite beam model. The code is highly optimized for voids and has been coupled with computer aided engineering packages for automated flaw shape definition and mesh generation. Subsequent graphical display of intermediate results supports model refinement and physical interpretation. Final results are typically cast in a nondestructive evaluation (NDE) context as either scattering amplitudes or flaw signals (via a measurement model based on a reciprocity integral). The near field is also predicted which allows for improved physical insight into the scattering process and the evaluation of certain modeling approximations. The accuracy of the BEM approach is first examined by comparing its predictions to those of other models for single, isolated scatters. The comparisons are with the predictions of analytical solutions for spherical defects and with MOOT and T-matrix calculations for axisymmetric flaws. Experimental comparisons are also made for volumetric shapes with different characteristic dimensions in all three directions, since no other numerical approach has yet produced results of this type. Theoretical findings regarding the fictitious eigenfrequency difficulty are substantiated through the analytical solution of a fundamental elastodynamics problem and corresponding BEM studies. Given the confidence in the BEM technique engendered by these comparisons, it is then used to investigate the modeling of 'open', cracklike defects amenable to a volumetric formulation. The limits of applicability of approximate theories (e.g., quasistatic, Kirchhoff, and geometric theory of diffraction) are explored for elliptical cracks, from this basis. The problem of two interacting scatterers is then considered. Results from a fully implicit approach and from a more efficient hybrid scheme are compared with generalized Born and farfield approximate interaction theories.

High frequency scattering from a thin lossless dielectric slab. M.S. Thesis

NASA Technical Reports Server (NTRS)

Burgener, K. W.

1979-01-01

A solution for scattering from a thin dielectric slab is developed based on geometrical optics and the geometrical theory of diffraction with the intention of developing a model for a windshield of a small private aircraft for incorporation in an aircraft antenna code. Results of the theory are compared with experimental measurements and moment method calculations showing good agreement. Application of the solution is also addressed.

Electromagnetic scattering from two-dimensional thick material junctions

NASA Technical Reports Server (NTRS)

Ricoy, M. A.; Volakis, John L.

1990-01-01

The problem of the plane wave diffraction is examined by an arbitrary symmetric two dimensional junction, where Generalized Impedance Boundary Conditions (GIBCs) and Generalized Sheet Transition Conditions (GSTCs) are employed to simulate the slabs. GIBCs and GSTCs are constructed for multilayer planar slabs of arbitrary thickness and the resulting GIBC/GSTC reflection coefficients are compared with exact counterparts to evaluate the GIBCs/GSTCs. The plane wave diffraction by a multilayer material slab recessed in a perfectly conducting ground plane is formulated and solved via the Generalized Scattering Matrix Formulation (GDMF) in conjunction with the dual integral equation approach. Various scattering patterns are computed and validated with exact results where possible. The diffraction by a material discontinuity in a thick dielectric/ferrite slab is considered by modelling the constituent slabs with GSTCs. A non-unique solution in terms of unknown constants is obtained, and these constants are evaluated for the recessed slab geometry by comparison with the solution obtained therein. Several other simplified cases are also presented and discussed. An eigenfunction expansion method is introduced to determine the unknown solution constants in the general case. This procedure is applied to the non-unique solution in terms of unknown constants; and scattering patterns are presented for various slab junctions and compared with alternative results where possible.

Fast online inverse scattering with Reduced Basis Method (RBM) for a 3D phase grating with specific line roughness

NASA Astrophysics Data System (ADS)

Kleemann, Bernd H.; Kurz, Julian; Hetzler, Jochen; Pomplun, Jan; Burger, Sven; Zschiedrich, Lin; Schmidt, Frank

2011-05-01

Finite element methods (FEM) for the rigorous electromagnetic solution of Maxwell's equations are known to be very accurate. They possess a high convergence rate for the determination of near field and far field quantities of scattering and diffraction processes of light with structures having feature sizes in the range of the light wavelength. We are using FEM software for 3D scatterometric diffraction calculations allowing the application of a brilliant and extremely fast solution method: the reduced basis method (RBM). The RBM constructs a reduced model of the scattering problem from precalculated snapshot solutions, guided self-adaptively by an error estimator. Using RBM, we achieve an efficiency accuracy of about 10-4 compared to the direct problem with only 35 precalculated snapshots being the reduced basis dimension. This speeds up the calculation of diffraction amplitudes by a factor of about 1000 compared to the conventional solution of Maxwell's equations by FEM. This allows us to reconstruct the three geometrical parameters of our phase grating from "measured" scattering data in a 3D parameter manifold online in a minute having the full FEM accuracy available. Additionally, also a sensitivity analysis or the choice of robust measuring strategies, for example, can be done online in a few minutes.

Structure of guar in solutions of H{sub 2}O and D{sub 2}O: An ultra-small-angle light-scattering study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gittings, M.R.; Cipelletti, L.; Trappe, V.

2000-05-11

The authors examine the structure of guar as a function of concentration in both H{sub 2}O and D{sub 2}O using several different scattering techniques. The range of scattering vectors spans 5 decades (143 cm{sup {minus}1} < q < 10.3 x 10{sup 6} cm{sup {minus}1}), providing insight into the supramolecular and local organization of the chains. This allows direct characterization of the large-scale aggregate structure of the guar, which can be on the order of 100 {micro}m. The aggregates are most likely loosely interconnected with single chains and other aggregates, and the structure and organization are critical in determining solution viscoelasticmore » properties. The solubility is poorer in D{sub 2}O as evidenced by larger aggregates, higher scattering intensities, a slightly higher fractal dimension, and a sublinear concentration dependence of the intensity. Aggregates were found in dilute neutral guar solutions as well as in cationic guar solutions (in H{sub 2}O), whether screened or unscreened. The presence of aggregates at all concentrations for neutral and charged guar indicates the difficulty in determining a molecular weight of the guar molecule.« less

A fast numerical solution of scattering by a cylinder: Spectral method for the boundary integral equations

NASA Technical Reports Server (NTRS)

Hu, Fang Q.

1994-01-01

It is known that the exact analytic solutions of wave scattering by a circular cylinder, when they exist, are not in a closed form but in infinite series which converges slowly for high frequency waves. In this paper, we present a fast number solution for the scattering problem in which the boundary integral equations, reformulated from the Helmholtz equation, are solved using a Fourier spectral method. It is shown that the special geometry considered here allows the implementation of the spectral method to be simple and very efficient. The present method differs from previous approaches in that the singularities of the integral kernels are removed and dealt with accurately. The proposed method preserves the spectral accuracy and is shown to have an exponential rate of convergence. Aspects of efficient implementation using FFT are discussed. Moreover, the boundary integral equations of combined single and double-layer representation are used in the present paper. This ensures the uniqueness of the numerical solution for the scattering problem at all frequencies. Although a strongly singular kernel is encountered for the Neumann boundary conditions, we show that the hypersingularity can be handled easily in the spectral method. Numerical examples that demonstrate the validity of the method are also presented.

Determination of the effective transverse coherence of the neutron wave packet as employed in reflectivity investigations of condensed-matter structures. II. Analysis of elastic scattering using energy-gated wave packets with an application to neutron reflection from ruled gratings

NASA Astrophysics Data System (ADS)

Berk, N. F.

2014-03-01

We present a general approach to analyzing elastic scattering for those situations where the incident beam is prepared as an incoherent ensemble of wave packets of a given arbitrary shape. Although wave packets, in general, are not stationary solutions of the Schrödinger equation, the analysis of elastic scattering data treats the scattering as a stationary-state problem. We thus must gate the wave packet, coherently distorting its shape in a manner consistent with the elastic condition. The resulting gated scattering amplitudes (e.g., reflection coefficients) thus are weighted coherent sums of the constituent plane-wave scattering amplitudes, with the weights determined by the shape of the incident wave packet as "filtered" by energy gating. We develop the gating formalism in general and apply it to the problem of neutron scattering from ruled gratings described by Majkrzak et al. in a companion paper. The required exact solution of the associated problem of plane-wave reflection from gratings also is derived.

Coupled NASTRAN/boundary element formulation for acoustic scattering

NASA Technical Reports Server (NTRS)

Everstine, Gordon C.; Henderson, Francis M.; Schuetz, Luise S.

1987-01-01

A coupled finite element/boundary element capability is described for calculating the sound pressure field scattered by an arbitrary submerged 3-D elastic structure. Structural and fluid impedances are calculated with no approximation other than discretization. The surface fluid pressures and normal velocities are first calculated by coupling a NASTRAN finite element model of the structure with a discretized form of the Helmholtz surface integral equation for the exterior field. Far field pressures are then evaluated from the surface solution using the Helmholtz exterior integral equation. The overall approach is illustrated and validated using a known analytic solution for scattering from submerged spherical shells.

Space-time domain solutions of the wave equation by a non-singular boundary integral method and Fourier transform.

PubMed

Klaseboer, Evert; Sepehrirahnama, Shahrokh; Chan, Derek Y C

2017-08-01

The general space-time evolution of the scattering of an incident acoustic plane wave pulse by an arbitrary configuration of targets is treated by employing a recently developed non-singular boundary integral method to solve the Helmholtz equation in the frequency domain from which the space-time solution of the wave equation is obtained using the fast Fourier transform. The non-singular boundary integral solution can enforce the radiation boundary condition at infinity exactly and can account for multiple scattering effects at all spacings between scatterers without adverse effects on the numerical precision. More generally, the absence of singular kernels in the non-singular integral equation confers high numerical stability and precision for smaller numbers of degrees of freedom. The use of fast Fourier transform to obtain the time dependence is not constrained to discrete time steps and is particularly efficient for studying the response to different incident pulses by the same configuration of scatterers. The precision that can be attained using a smaller number of Fourier components is also quantified.

Rotational dynamics of trehalose in aqueous solutions studied by depolarized light scattering

NASA Astrophysics Data System (ADS)

Gallina, M. E.; Comez, L.; Morresi, A.; Paolantoni, M.; Perticaroli, S.; Sassi, P.; Fioretto, D.

2010-06-01

High resolution depolarized light scattering spectra, extended from 0.5 to 2×104 GHz by the combined used of a dispersive and an interferometric setup, give evidence of separated solute and solvent dynamics in diluted trehalose aqueous solutions. The slow relaxation process, located in the gigahertz frequency region, is analyzed as a function of temperature and concentration and assigned to the rotational diffusion of the sugar molecule. The results are discussed in comparison with the data obtained on glucose solutions and they are used to clarify the molecular origin of some among the several relaxation processes reported in literature for oligosaccharides solutions. The concentration dependence of relaxation time and of shear viscosity are also discussed, suggesting that the main effect of carbohydrate molecules on the structural relaxation of diluted aqueous solutions is the perturbation induced on the dynamics of the first hydration shell of each solute molecule.

Investigating Structure and Dynamics of Proteins in Amorphous Phases Using Neutron Scattering.

PubMed

Castellanos, Maria Monica; McAuley, Arnold; Curtis, Joseph E

2017-01-01

In order to increase shelf life and minimize aggregation during storage, many biotherapeutic drugs are formulated and stored as either frozen solutions or lyophilized powders. However, characterizing amorphous solids can be challenging with the commonly available set of biophysical measurements used for proteins in liquid solutions. Therefore, some questions remain regarding the structure of the active pharmaceutical ingredient during freezing and drying of the drug product and the molecular role of excipients. Neutron scattering is a powerful technique to study structure and dynamics of a variety of systems in both solid and liquid phases. Moreover, neutron scattering experiments can generally be correlated with theory and molecular simulations to analyze experimental data. In this article, we focus on the use of neutron techniques to address problems of biotechnological interest. We describe the use of small-angle neutron scattering to study the solution structure of biological molecules and the packing arrangement in amorphous phases, that is, frozen glasses and freeze-dried protein powders. In addition, we discuss the use of neutron spectroscopy to measure the dynamics of glassy systems at different time and length scales. Overall, we expect that the present article will guide and prompt the use of neutron scattering to provide unique insights on many of the outstanding questions in biotechnology.

Prediction of submarine scattered noise by the acoustic analogy

NASA Astrophysics Data System (ADS)

Testa, C.; Greco, L.

2018-07-01

The prediction of the noise scattered by a submarine subject to the propeller tonal noise is here addressed through a non-standard frequency-domain formulation that extends the use of the acoustic analogy to scattering problems. A boundary element method yields the scattered pressure upon the hull surface by the solution of a boundary integral equation, whereas the noise radiated in the fluid domain is evaluated by the corresponding boundary integral representation. Propeller-induced incident pressure field on the scatterer is detected by combining an unsteady three-dimensional panel method with the Bernoulli equation. For each frequency of interest, numerical results concern with sound pressure levels upon the hull and in the flowfield. The validity of the results is established by a comparison with a time-marching hydrodynamic panel method that solves propeller and hull jointly. Within the framework of potential-flow hydrodynamics, it is found out that the scattering formulation herein proposed is appropriate to successfully capture noise magnitude and directivity both on the hull surface and in the flowfield, yielding a computationally efficient solution procedure that may be useful in preliminary design/multidisciplinary optimization applications.

Geometric phase coded metasurface: from polarization dependent directive electromagnetic wave scattering to diffusion-like scattering.

PubMed

Chen, Ke; Feng, Yijun; Yang, Zhongjie; Cui, Li; Zhao, Junming; Zhu, Bo; Jiang, Tian

2016-10-24

Ultrathin metasurface compromising various sub-wavelength meta-particles offers promising advantages in controlling electromagnetic wave by spatially manipulating the wavefront characteristics across the interface. The recently proposed digital coding metasurface could even simplify the design and optimization procedures due to the digitalization of the meta-particle geometry. However, current attempts to implement the digital metasurface still utilize several structural meta-particles to obtain certain electromagnetic responses, and requiring time-consuming optimization especially in multi-bits coding designs. In this regard, we present herein utilizing geometric phase based single structured meta-particle with various orientations to achieve either 1-bit or multi-bits digital metasurface. Particular electromagnetic wave scattering patterns dependent on the incident polarizations can be tailored by the encoded metasurfaces with regular sequences. On the contrast, polarization insensitive diffusion-like scattering can also been successfully achieved by digital metasurface encoded with randomly distributed coding sequences leading to substantial suppression of backward scattering in a broadband microwave frequency. The proposed digital metasurfaces provide simple designs and reveal new opportunities for controlling electromagnetic wave scattering with or without polarization dependence.

Geometric phase coded metasurface: from polarization dependent directive electromagnetic wave scattering to diffusion-like scattering

PubMed Central

Chen, Ke; Feng, Yijun; Yang, Zhongjie; Cui, Li; Zhao, Junming; Zhu, Bo; Jiang, Tian

2016-01-01

Ultrathin metasurface compromising various sub-wavelength meta-particles offers promising advantages in controlling electromagnetic wave by spatially manipulating the wavefront characteristics across the interface. The recently proposed digital coding metasurface could even simplify the design and optimization procedures due to the digitalization of the meta-particle geometry. However, current attempts to implement the digital metasurface still utilize several structural meta-particles to obtain certain electromagnetic responses, and requiring time-consuming optimization especially in multi-bits coding designs. In this regard, we present herein utilizing geometric phase based single structured meta-particle with various orientations to achieve either 1-bit or multi-bits digital metasurface. Particular electromagnetic wave scattering patterns dependent on the incident polarizations can be tailored by the encoded metasurfaces with regular sequences. On the contrast, polarization insensitive diffusion-like scattering can also been successfully achieved by digital metasurface encoded with randomly distributed coding sequences leading to substantial suppression of backward scattering in a broadband microwave frequency. The proposed digital metasurfaces provide simple designs and reveal new opportunities for controlling electromagnetic wave scattering with or without polarization dependence. PMID:27775064

Dynamic light-scattering study of gelatin and aggregation of gastric mucin

NASA Astrophysics Data System (ADS)

Bansil, Rama; Cao, Xingxiang; Bhaskar, K. Ramakrishnan; LaMont, Jeffrey T.

1997-05-01

Dynamic light scattering studies show that concentration and pH play important roles in determining pig gastric mucin's (PGM) ability to aggregate and gel. At low concentrations, PGM macromolecules exist in solution predominantly in the form of monomers. At high concentrations, PGM macromolecules aggregate to form supra-macromolecular clusters. When the pH of the high concentration PGM solution is changed from 7.0 to 2.0, the system undergoes a sol-gel transition: from a solution of polydisperse aggregates to a gel. This pH and concentration dependent sol-gel transition of PGM solution may provide a mechanism for the mammalian stomach to protect itself against being digested by the gastric juice.

X-Ray Scattering Echoes and Ghost Halos from the Intergalactic Medium: Relation to the Nature of AGN Variability

NASA Astrophysics Data System (ADS)

Corrales, Lia

2015-05-01

X-ray bright quasars might be used to trace dust in the circumgalactic and intergalactic medium through the phenomenon of X-ray scattering, which is observed around Galactic objects whose light passes through a sufficient column of interstellar gas and dust. Of particular interest is the abundance of gray dust larger than 0.1 μ m, which is difficult to detect at other wavelengths. To calculate X-ray scattering from large grains, one must abandon the traditional Rayleigh-Gans approximation. The Mie solution for the X-ray scattering optical depth of the universe is ∼ 1%. This presents a great difficulty for distinguishing dust scattered photons from the point source image of Chandra, which is currently unsurpassed in imaging resolution. The variable nature of AGNs offers a solution to this problem, as scattered light takes a longer path and thus experiences a time delay with respect to non-scattered light. If an AGN dims significantly (≳ 3 dex) due to a major feedback event, the Chandra point source image will be suppressed relative to the scattering halo, and an X-ray echo or ghost halo may become visible. I estimate the total number of scattering echoes visible by Chandra over the entire sky: {{N}ech}∼ {{10}3}({{ν }fb}/y{{r}-1}), where {{ν }fb} is the characteristic frequency of feedback events capable of dimming an AGN quickly.

Intrasystem Analysis Program (IAP) code summaries

NASA Astrophysics Data System (ADS)

Dobmeier, J. J.; Drozd, A. L. S.; Surace, J. A.

1983-05-01

This report contains detailed descriptions and capabilities of the codes that comprise the Intrasystem Analysis Program. The four codes are: Intrasystem Electromagnetic Compatibility Analysis Program (IEMCAP), General Electromagnetic Model for the Analysis of Complex Systems (GEMACS), Nonlinear Circuit Analysis Program (NCAP), and Wire Coupling Prediction Models (WIRE). IEMCAP is used for computer-aided evaluation of electromagnetic compatibility (ECM) at all stages of an Air Force system's life cycle, applicable to aircraft, space/missile, and ground-based systems. GEMACS utilizes a Method of Moments (MOM) formalism with the Electric Field Integral Equation (EFIE) for the solution of electromagnetic radiation and scattering problems. The code employs both full matrix decomposition and Banded Matrix Iteration solution techniques and is expressly designed for large problems. NCAP is a circuit analysis code which uses the Volterra approach to solve for the transfer functions and node voltage of weakly nonlinear circuits. The Wire Programs deal with the Application of Multiconductor Transmission Line Theory to the Prediction of Cable Coupling for specific classes of problems.

Characterization of Non-Infectious Virus-Like Particle Surrogates for Viral Clearance Applications.

PubMed

Johnson, Sarah; Brorson, Kurt A; Frey, Douglas D; Dhar, Arun K; Cetlin, David A

2017-09-01

Viral clearance is a critical aspect of biopharmaceutical manufacturing process validation. To determine the viral clearance efficacy of downstream chromatography and filtration steps, live viral "spiking" studies are conducted with model mammalian viruses such as minute virus of mice (MVM). However, due to biosafety considerations, spiking studies are costly and typically conducted in specialized facilities. In this work, we introduce the concept of utilizing a non-infectious MVM virus-like particle (MVM-VLP) as an economical surrogate for live MVM during process development and characterization. Through transmission electron microscopy, size exclusion chromatography with multi-angle light scattering, chromatofocusing, and a novel solute surface hydrophobicity assay, we examined and compared the size, surface charge, and hydrophobic properties of MVM and MVM-VLP. The results revealed that MVM and MVM-VLP exhibited nearly identical physicochemical properties, indicating the potential utility of MVM-VLP as an accurate and economical surrogate to live MVM during chromatography and filtration process development and characterization studies.

Internal dynamics of F-actin and myosin subfragment-1 studied by quasielastic neutron scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Matsuo, Tatsuhito; Arata, Toshiaki; Oda, Toshiro

2015-04-10

Various biological functions related to cell motility are driven by the interaction between the partner proteins, actin and myosin. To obtain insights into how this interaction occurs, the internal dynamics of F-actin and myosin subfragment-1 (S1) were characterized by the quasielastic neutron scattering measurements on the solution samples of F-actin and S1. Contributions of the internal motions of the proteins to the scattering spectra were separated from those of the global macromolecular diffusion. Analysis of the spectra arising from the internal dynamics showed that the correlation times of the atomic motions were about two times shorter for F-actin than formore » S1, suggesting that F-actin fluctuates more rapidly than S1. It was also shown that the fraction of the immobile atoms is larger for S1 than for F-actin. These results suggest that F-actin actively facilitates the binding of myosin by utilizing the more frequent conformational fluctuations than those of S1. - Highlights: • We studied the internal dynamics of F-actin and myosin S1 by neutron scattering. • The correlation times of the atomic motions were smaller for F-actin than for S1. • The fraction of the immobile atoms was also smaller for F-actin than for S1. • Our results suggest that mobility of atoms in F-actin is higher than that in S1. • We propose that high flexibility of F-actin facilitates the binding of myosin.« less

Enhancing Localized Evaporation through Separated Light Absorbing Centers and Scattering Centers

PubMed Central

Zhao, Dengwu; Duan, Haoze; Yu, Shengtao; Zhang, Yao; He, Jiaqing; Quan, Xiaojun; Tao, Peng; Shang, Wen; Wu, Jianbo; Song, Chengyi; Deng, Tao

2015-01-01

This report investigates the enhancement of localized evaporation via separated light absorbing particles (plasmonic absorbers) and scattering particles (polystyrene nanoparticles). Evaporation has been considered as one of the most important phase-change processes in modern industries. To improve the efficiency of evaporation, one of the most feasible methods is to localize heat at the top water layer rather than heating the bulk water. In this work, the mixture of purely light absorptive plasmonic nanostructures such as gold nanoparticles and purely scattering particles (polystyrene nanoparticles) are employed to confine the incident light at the top of the solution and convert light to heat. Different concentrations of both the light absorbing centers and the light scattering centers were evaluated and the evaporation performance can be largely enhanced with the balance between absorbing centers and scattering centers. The findings in this study not only provide a new way to improve evaporation efficiency in plasmonic particle-based solution, but also shed lights on the design of new solar-driven localized evaporation systems. PMID:26606898

Comparison of exact solution with Eikonal approximation for elastic heavy ion scattering

NASA Technical Reports Server (NTRS)

Dubey, Rajendra R.; Khandelwal, Govind S.; Cucinotta, Francis A.; Maung, Khin Maung

1995-01-01

A first-order optical potential is used to calculate the total and absorption cross sections for nucleus-nucleus scattering. The differential cross section is calculated by using a partial-wave expansion of the Lippmann-Schwinger equation in momentum space. The results are compared with solutions in the Eikonal approximation for the equivalent potential and with experimental data in the energy range from 25A to 1000A MeV.

Radiative transfer in falling snow: A two-stream approximation

NASA Astrophysics Data System (ADS)

Koh, Gary

1989-04-01

Light transmission measurements through falling snow have produced results unexplainable by single scattering arguments. A two-stream approximation to radiative transfer is used to derive an analytical expression that describes the effects of multiple scattering as a function of the snow optical depth and the snow asymmetry parameter. The approximate solution is simple and it may be as accurate as the exact solution for describing the transmission measurements within the limits of experimental uncertainties.

Ferroelectric materials for applications in sensor protection

NASA Astrophysics Data System (ADS)

Bhalla, Amar S.; Cross, L. Eric

1995-07-01

The focus of this program has been upon producing and characterizing new functional materials whose properties can be fine tuned to provide eye sensor protection against laser threats and to suit a range of optoelectronic device applications. Material systems that maximize orientational anisotropy (for use in scattering mode systems) and systems that minimize orientational anisotropy (for use in high field modulators and field induced photorefractive applications) were both approached. Relaxor ferroelectric tungsten bronze single crystals (Sr,Ba)Nb2O6 and (Pb,Ba)Nb2O6 solid solution families and relaxor ferroelectric perovskite (1-x)Pb(Mg(1/3)Nb(2/3))O(3-x)PbTiO3 (PMN-PT) families, were studied extensively. The unique capabilities of a laser heated pedestal growth (LHPG) system were utilized for growth of new materials in single crystal fiber form that produces crystals of long interaction length for optical wave in the crystal and high crystal perfection with maximized properties along chosen directions. Hot uniaxial pressing, hot forging, or appropriate solid state reaction processing methods were used to produce transparent polycrystalline ceramics to provide low scattering, high anisotropy ceramics or high scattering, high anisotropy ceramics. This final report summarizes significant results produced from this program through combination of experimental and crystal chemistry approaches in this field, delineates conclusions drawn from the research, and provides recommendations for future research.

Self-aggregation of bio-surfactants within ionic liquid 1-ethyl-3-methylimidazolium bromide: A comparative study and potential application in antidepressants drug aggregation

NASA Astrophysics Data System (ADS)

Banjare, Manoj Kumar; Behera, Kamalakanta; Kurrey, Ramsingh; Banjare, Ramesh Kumar; Satnami, Manmohan L.; Pandey, Siddharth; Ghosh, Kallol K.

2018-06-01

Aggregation behavior of bio-surfactants (BS) sodium cholate (NaC) and sodium deoxycholate (NaDC) within aqueous solution of ionic liquid (IL) 1-ethyl-3-methylimidazolium bromide [Emim][Br] has been investigated using surface tension, conductivity, steady state fluorescence, FT-IR and dynamic light scattering (DLS) techniques. Various interfacial and thermodynamic parameters are determined in the presence of different wt% of IL [Emim][Br]. Information regarding the local microenvironment and size of the aggregates is obtained from fluorescence and DLS, respectively. FT-IR spectral response is used to reveal the interactions taking place within aqueous NaC/NaDC micellar solutions. It is noteworthy to mention that increasing wt% of [Emim][Br] results in an increase in the spontaneity of micelle formation and the hydrophilic IL shows more affinity for NaC as compared to NaDC. Further, the micellar solutions of BS-[Emim][Br] are utilized for studying the aggregation of antidepressants drug promazine hydrochloride (pH). UV-vis spectroscopic investigation reveals interesting outcomes and the results show changes in spectral absorbance of PH drug on the addition of micellar solution (BS-[Emim][Br]). Highest binding affinity and most promising activity are shown for NaC as compared to NaDC.

Role of Self-Association and Supersaturation in Oral Absorption of a Poorly Soluble Weakly Basic Drug.

PubMed

Narang, Ajit S; Badawy, Sherif; Ye, Qingmei; Patel, Dhaval; Vincent, Maria; Raghavan, Krishnaswamy; Huang, Yande; Yamniuk, Aaron; Vig, Balvinder; Crison, John; Derbin, George; Xu, Yan; Ramirez, Antonio; Galella, Michael; Rinaldi, Frank A

2015-08-01

Precipitation of weakly basic drugs in intestinal fluids can affect oral drug absorption. In this study, the implications of self-association of brivanib alaninate in acidic aqueous solution, leading to supersaturation at basic pH condition, on its solubility and oral absorption were investigated. Self-association of brivanib alaninate was investigated by proton NMR spectroscopy, surface tension measurement, dynamic light scattering, isothermal titration calorimetry, and molecular modeling. Drug solubility was determined in various pH media, and its tendency to supersaturate upon pH shift was investigated in buffered and biorelevant aqueous solutions. Pharmacokinetic modeling of human oral drug absorption was utilized for parameter sensitivity analyses of input variables. Brivanib alaninate exhibited continuous, and pH- and concentration-dependent self-association. This phenomenon resulted in positive deviation of drug solubility at acidic pH and the formation of a stable supersaturated drug solution in pH-shift assays. Consistent with the supersaturation phenomenon observed in vitro, oral absorption simulations necessitated invoking long precipitation time in the intestine to successfully predict in vivo data. Self-association of a weakly basic drug in acidic aqueous solution can increase its oral absorption by supersaturation and precipitation resistance at the intestinal pH. This consideration is important to the selection of parameters for oral absorption simulation.

On the optimum polarizations of incoherently reflected waves

NASA Technical Reports Server (NTRS)

Van Zyl, Jakob J.; Elachi, Charles; Papas, Charles H.

1987-01-01

The Stokes scattering operator is noted to be the most useful characterization of incoherent scattering in radar imaging; the polarization that would yield an optimum amount of power received from the scatterer is obtained by assuming a knowledge of the Stokes scattering operator instead of the 2x2 scattering matrix with complex elements. It is thereby possible to find the optimum polarizations for the case in which the scatterers can only be fully characterized by their Stokes scattering operator, and the case in which the scatterer can be fully characterized by the complex 2x2 scattering matrix. It is shown that the optimum polarizations reported in the literature form the solution for a subset of a more general class of problems, so that six optimum polarizations can exist for incoherent scattering.

Arrest scenarios in concentrated protein solutions - from hard sphere glasses to arrested spinodal decomposition

NASA Astrophysics Data System (ADS)

Stradner, Anna; Bucciarelli, Saskia; Casal, Lucia; Foffi, Giuseppe; Thurston, George; Farago, Bela; Schurtenberger, Peter

2014-03-01

The occurrence of an arrest transition in concentrated colloid suspensions and its dependence on the interaction potential is a hot topic in soft matter. Such arrest transitions can also occur in concentrated protein solutions, as they exist e.g. in biological cells or are increasingly used in pharmaceutical formulations. Here we demonstrate the applicability of concepts from colloid science to understand the dynamics of concentrated protein solutions. In this presentation we report a combination of 3D light scattering, small-angle X-ray scattering and neutron spin echo measurements to study the structural properties as well as the collective and self diffusion of proteins in highly concentrated solutions on the relevant length and time scales. We demonstrate that various arrest scenarios indeed exist for different globular proteins. The proteins chosen are different bovine lens crystallins. We report examples of hard and attractive glass transitions and arrested spinodal decomposition directly linked to the effective pair potentials determined in static scattering experiments for the different proteins. We discuss these different arrest scenarios in view of possible applications of dense protein solutions as well as in view of their possible relevance for living systems.

Alzheimer's disease imaging biomarkers using small-angle x-ray scattering

NASA Astrophysics Data System (ADS)

Choi, Mina; Alam, Nadia; Dahal, Eshan; Ghammraoui, Bahaa; Badano, Aldo

2016-03-01

There is a need for novel imaging techniques for the earlier detection of Alzheimer's disease (AD). Two hallmarks of AD are amyloid beta (Aβ) plaques and tau tangles that are formed in the brain. Well-characterized x-ray cross sections of Aβ and tau proteins in a variety of structural states could potentially be used as AD biomarkers for small-angle x-ray scattering (SAXS) imaging without the need for injectable probes or contrast agents. First, however, the protein structures must be controlled and measured to determine accurate biomarkers for SAXS imaging. Here we report SAXS measurements of Aβ42 and tau352 in a 50% dimethyl sulfoxide (DMSO) solution in which these proteins are believed to remain monomeric because of the stabilizing interaction of DMSO solution. Our SAXS analysis showed the aggregation of both proteins. In particular, we found that the aggregation of Aβ42 slowly progresses with time in comparison to tau352 that aggregates at a faster rate and reaches a steady-state. Furthermore, the measured signals were compared to the theoretical SAXS profiles of Aβ42 monomer, Aβ42 fibril, and tau352 that were computed from their respective protein data bank structures. We have begun the work to systematically control the structural states of these proteins in vitro using various solvent conditions. Our future work is to utilize the distinct SAXS profiles of various structural states of Aβ and tau to build a library of signals of interest for SAXS imaging in brain tissue.

Dynamically controlled crystal growth system

NASA Technical Reports Server (NTRS)

Bray, Terry L. (Inventor); Kim, Larry J. (Inventor); Harrington, Michael (Inventor); DeLucas, Lawrence J. (Inventor)

2002-01-01

Crystal growth can be initiated and controlled by dynamically controlled vapor diffusion or temperature change. In one aspect, the present invention uses a precisely controlled vapor diffusion approach to monitor and control protein crystal growth. The system utilizes a humidity sensor and various interfaces under computer control to effect virtually any evaporation rate from a number of different growth solutions simultaneously by means of an evaporative gas flow. A static laser light scattering sensor can be used to detect aggregation events and trigger a change in the evaporation rate for a growth solution. A control/follower configuration can be used to actively monitor one chamber and accurately control replicate chambers relative to the control chamber. In a second aspect, the invention exploits the varying solubility of proteins versus temperature to control the growth of protein crystals. This system contains miniature thermoelectric devices under microcomputer control that change temperature as needed to grow crystals of a given protein. Complex temperature ramps are possible using this approach. A static laser light scattering probe also can be used in this system as a non-invasive probe for detection of aggregation events. The automated dynamic control system provides systematic and predictable responses with regard to crystal size. These systems can be used for microgravity crystallization projects, for example in a space shuttle, and for crystallization work under terrestial conditions. The present invention is particularly useful for macromolecular crystallization, e.g. for proteins, polypeptides, nucleic acids, viruses and virus particles.

Closed-form solution for the Wigner phase-space distribution function for diffuse reflection and small-angle scattering in a random medium.

PubMed

Yura, H T; Thrane, L; Andersen, P E

2000-12-01

Within the paraxial approximation, a closed-form solution for the Wigner phase-space distribution function is derived for diffuse reflection and small-angle scattering in a random medium. This solution is based on the extended Huygens-Fresnel principle for the optical field, which is widely used in studies of wave propagation through random media. The results are general in that they apply to both an arbitrary small-angle volume scattering function, and arbitrary (real) ABCD optical systems. Furthermore, they are valid in both the single- and multiple-scattering regimes. Some general features of the Wigner phase-space distribution function are discussed, and analytic results are obtained for various types of scattering functions in the asymptotic limit s > 1, where s is the optical depth. In particular, explicit results are presented for optical coherence tomography (OCT) systems. On this basis, a novel way of creating OCT images based on measurements of the momentum width of the Wigner phase-space distribution is suggested, and the advantage over conventional OCT images is discussed. Because all previous published studies regarding the Wigner function are carried out in the transmission geometry, it is important to note that the extended Huygens-Fresnel principle and the ABCD matrix formalism may be used successfully to describe this geometry (within the paraxial approximation). Therefore for completeness we present in an appendix the general closed-form solution for the Wigner phase-space distribution function in ABCD paraxial optical systems for direct propagation through random media, and in a second appendix absorption effects are included.

Investigation of a new thermosensitive block copolymer micelle: hydrolysis, disruption, and release.

PubMed

Pelletier, Maxime; Babin, Jérôme; Tremblay, Luc; Zhao, Yue

2008-11-04

Thermosensitive polymer micelles are generally obtained with block copolymers in which one block exhibits a lower critical solution temperature in aqueous solution. We investigate a different design that is based on the use of one block bearing a thermally labile side group, whose hydrolysis upon heating shifts the hydrophilic-hydrophobic balance toward the destabilization of block copolymer micelles. Atom transfer radical polymerization was utilized to synthesize a series of diblock copolymers composed of hydrophilic poly(ethylene oxide) (PEO) and hydrophobic poly(2-tetrahydropyranyl methacrylate) (PTHPMA). We show that micelles of PEO-b-PTHPMA in aqueous solution can be destabilized as a result of the thermosensitive hydrolytic cleavage of tetrahydropyranyl (THP) groups that transforms PTHPMA into hydrophilic poly(methacrylic acid). The three related processes occurring in aqueous solution, namely, hydrolytic cleavage of THP, destabilization of micelles, and release of loaded Nile Red (NR), were investigated simultaneously using 1H NMR, dynamic light scattering, and fluorescence spectroscopy, respectively. At 80 degrees C, the results suggest that the three events proceed with a similar kinetics. Although slower than at elevated temperatures, the disruption of PEO-b-PTHPMA micelles can take place at the body temperature (approximately 37 degrees C), and the release kinetics of NR can be adjusted by changing the relative lengths of the two blocks or the pH of the solution.

In-plane dynamic Green's functions for inclined and uniformly distributed loads in a multi-layered transversely isotropic half-space

NASA Astrophysics Data System (ADS)

Ba, Zhenning; Kang, Zeqing; Liang, Jianwen

2018-04-01

The dynamic stiffness method combined with the Fourier transform is utilized to derive the in-plane Green's functions for inclined and uniformly distributed loads in a multi-layered transversely isotropic (TI) half-space. The loaded layer is fixed to obtain solutions restricted in it and the corresponding reactions forces, which are then applied to the total system with the opposite sign. By adding solutions restricted in the loaded layer to solutions from the reaction forces, the global solutions in the wavenumber domain are obtained, and the dynamic Green's functions in the space domain are recovered by the inverse Fourier transform. The presented formulations can be reduced to the isotropic case developed by Wolf (1985), and are further verified by comparisons with existing solutions in a uniform isotropic as well as a layered TI half-space subjected to horizontally distributed loads which are special cases of the more general problem addressed. The deduced Green's functions, in conjunction with boundary element methods, will lead to significant advances in the investigation of a variety of wave scattering, wave radiation and soil-structure interaction problems in a layered TI site. Selected numerical results are given to investigate the influence of material anisotropy, frequency of excitation, inclination angle and layered on the responses of displacement and stress, and some conclusions are drawn.

Applications of thin-film sandwich crystallization platforms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Axford, Danny, E-mail: danny.axford@diamond.ac.uk; Aller, Pierre; Sanchez-Weatherby, Juan

2016-03-24

Crystallization via sandwiches of thin polymer films is presented and discussed. Examples are shown of protein crystallization in, and data collection from, solutions sandwiched between thin polymer films using vapour-diffusion and batch methods. The crystallization platform is optimal for both visualization and in situ data collection, with the need for traditional harvesting being eliminated. In wells constructed from the thinnest plastic and with a minimum of aqueous liquid, flash-cooling to 100 K is possible without significant ice formation and without any degradation in crystal quality. The approach is simple; it utilizes low-cost consumables but yields high-quality data with minimal samplemore » intervention and, with the very low levels of background X-ray scatter that are observed, is optimal for microcrystals.« less

3-D imaging of large scale buried structure by 1-D inversion of very early time electromagnetic (VETEM) data

USGS Publications Warehouse

Aydmer, A.A.; Chew, W.C.; Cui, T.J.; Wright, D.L.; Smith, D.V.; Abraham, J.D.

2001-01-01

A simple and efficient method for large scale three-dimensional (3-D) subsurface imaging of inhomogeneous background is presented. One-dimensional (1-D) multifrequency distorted Born iterative method (DBIM) is employed in the inversion. Simulation results utilizing synthetic scattering data are given. Calibration of the very early time electromagnetic (VETEM) experimental waveforms is detailed along with major problems encountered in practice and their solutions. This discussion is followed by the results of a large scale application of the method to the experimental data provided by the VETEM system of the U.S. Geological Survey. The method is shown to have a computational complexity that is promising for on-site inversion.

Modal Ring Method for the Scattering of Electromagnetic Waves

NASA Technical Reports Server (NTRS)

Baumeister, Kenneth J.; Kreider, Kevin L.

1993-01-01

The modal ring method for electromagnetic scattering from perfectly electric conducting (PEC) symmetrical bodies is presented. The scattering body is represented by a line of finite elements (triangular) on its outer surface. The infinite computational region surrounding the body is represented analytically by an eigenfunction expansion. The modal ring method effectively reduces the two dimensional scattering problem to a one-dimensional problem similar to the method of moments. The modal element method is capable of handling very high frequency scattering because it has a highly banded solution matrix.

Interactions in Undersaturated and Supersaturated Lysozyme Solutions: Static and Dynamic Light Scattering Results

NASA Technical Reports Server (NTRS)

Muschol, Martin; Rosenberger, Franz

1995-01-01

We have performed multiangle static and dynamic light scattering studies of lysozyme solutions at pH=4.7. The Rayleigh ratio R(sub g) and the collective diffusion coefficient D(sub c) were determined as function of both protein concentration c(sub p) and salt concentration c(sub s) with two different salts. At low salt concentrations, the scattering ratio K(sub c)(sub p)/R(sub theta) and diffusivity increased with protein concentration above the values for a monomeric, ideal solution. With increasing salt concentration this trend was eventually reversed. The hydrodynamic interactions of lysozyme in solution, extracted from the combination of static and dynamic scattering data, decreased significantly with increasing salt concentration. These observations reflect changes in protein interactions, in response to increased salt screening, from net repulsion to net attraction. Both salts had the same qualitative effect, but the quantitative behavior did not scale with the ionic strength of the solution. This indicates the presence of salt specific effects. At low protein concentrations, the slopes of K(sub c)(sub p)/R(sub theta) and D(sub c) vs c(sub p) were obtained. The dependence of the slopes on ionic strength was modeled using a DLVO potential for colloidal interactions of two spheres, with the net protein charge Z(sub e) and Hamaker constant A(sub H) as fitting parameters. The model reproduces the observed variations with ionic strength quite well. Independent fits to the static and dynamic data, however, led to different values of the fitting parameters. These and other shortcomings suggest that colloidal interaction models alone are insufficient to explain protein interactions in solutions.

Multiple scattering contribution to the diffuse light of a night sky: A model which embraces all orders of scattering

NASA Astrophysics Data System (ADS)

Kocifaj, Miroslav

2018-02-01

The mechanism in which multiple scattering influences the radiance of a night sky has been poorly quantified until recently, or even completely unknown from the theoretical point of view. In this paper, the relative contribution of higher-scattering radiances to the total sky radiance is treated analytically for all orders of scattering, showing that a fast and accurate numerical solution to the problem exists. Unlike a class of ray tracing codes in which CPU requirements increase tremendously with each new scattering mode, the solution developed here requires the same processor time for each scattering mode. This allows for rapid estimation of higher-scattering radiances and residual error that is otherwise unknown if these radiances remain undetermined. Such convergence testing is necessary to guarantee accuracy and the stability of the numerical predictions. The performance of the method developed here is demonstrated in a set of numerical experiments aiming to uncover the relative importance of higher-scattering radiances at different distances from a light source. We have shown, that multiple scattering effects are generally low if distance to the light source is below 30 km. At large distances the multiple scattering can become important at the dark sky elements situated opposite to the light source. However, the brightness at this part of sky is several orders of magnitude smaller than that of a glowing dome of light over a city, so we do not expect that a partial increase or even doubling the radiance of otherwise dark sky elements can noticeably affect astronomical observations or living organisms (including humans). Single scattering is an appropriate approximation to the sky radiance of a night sky in the vast majority of cases.

SU-E-I-44: Some Preliminary Analysis of Angular Distribution of X-Ray Scattered On Soft Tissues

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ganezer, K; Krmar, M; Cvejic, Z

2015-06-15

Purpose: The angular distribution of x-radiation scattered at small angles (up to 16 degrees) from several different animal soft tissue (skin, fat, muscle, retina, etc) were measured using standard equipment devoted to study of crystal structure which provides excellent geometry conditions of measurements. showed measurable differences for different tissues. In the simplest possible case when measured samples do not differ in structure (different concentration solutions) it can be seen that intensity of scattered radiation is decreasing function of the concentration and the peak of the maximum of scattering distribution depends on the concentration as well. Methods: An x-ray scattering profilemore » usually consists of sharp diffraction peak; however some properties of the spatial profiles of scattered radiation as intensity, the peak position, height, area, FWHM, the ratio of peak heights, etc. Results: The data contained measurable differences for different tissues. In the simplest possible case when measured samples do not differ in structure (different concentration solutions) it can be seen that intensity of scattered radiation is decreasing function of the concentration and the peak of the maximum of scattering distribution depends on the concentration as well. Measurements of different samples in the very preliminary phase showed that simple biological material used in study showed slightly different scattering pattern, especially at higher angles (around 10degrees). Intensity of radiation scattered from same tissue type is very dependent on water content and several more parameters. Conclusion: This preliminary study using animal soft tissues on the angular distributions of scattered x-rays suggests that angular distributions of X-rays scattered off of soft tissues might be useful in distinguishing healthy tissue from malignant soft tissue.« less

Investigation of the effect of scattering centers on low dimensional nanowire channel

NASA Astrophysics Data System (ADS)

Cariappa, K. S.; Shukla, Raja; Sarkar, Niladri

2018-05-01

In this work, we studied the effect of scattering centers on the electron density profiles of a one dimensional Nanowire channel. Density Matrix Formalism is used for calculating the local electron densities at room temperature. Various scattering centers have been simulated in the channel. The nearest neighbor tight binding method is applied to construct the Hamiltonian of nanoscale devices. We invoke scattering centers by adding local scattering potentials to the Hamiltonian. This analysis could give an insight into the understanding and utilization of defects for device engineering.

Extension of nano-scaled exploration into solution/liquid systems using tip-enhanced Raman scattering

NASA Astrophysics Data System (ADS)

Pienpinijtham, Prompong; Vantasin, Sanpon; Kitahama, Yasutaka; Ekgasit, Sanong; Ozaki, Yukihiro

2017-08-01

This review shows updated experimental cases of tip-enhanced Raman scattering (TERS) operated in solution/liquid systems. TERS in solution/liquid is still infancy, but very essential and challenging because crucial and complicated biological processes such as photosynthesis, biological electron transfer, and cellular respiration take place and undergo in water, electrolytes, or buffers. The measurements of dry samples do not reflect real activities in those kinds of systems. To deeply understand them, TERS in solution/liquid is needed to be developed. The first TERS experiment in solution/liquid is successfully performed in 2009. After that time, TERS in solution/liquid has gradually been developed. It shows a potential to study structural changes of biomembranes, opening the world of dynamic living cells. TERS is combined with electrochemical techniques, establishing electrochemical TERS (EC-TERS) in 2015. EC-TERS creates an interesting path to fulfil the knowledge about electrochemical-related reactions or processes. TERS tip can be functionalized with sensitive molecules to act as a "surface-enhanced Raman scattering (SERS) at tip" for investigating distinct properties of systems in solution/liquid e.g., pH and electron transfer mechanism. TERS setup is continuously under developing. Versatile geometry of the setup and a guideline of a systematic implementation for a setup of TERS in solution/liquid are proposed. New style of setup is also reported for TERS imaging in solution/liquid. From all of these, TERS in solution/liquid will expand a nano-scaled exploration into solution/liquid systems of various fields e.g., energy storages, catalysts, electronic devices, medicines, alternative energy sources, and build a next step of nanoscience and nanotechnology.

Coherent pulses in the diffusive transport of charged particles`

NASA Technical Reports Server (NTRS)

Kota, J.

1994-01-01

We present exact solutions to the diffusive transport of charged particles following impulsive injection for a simple model of scattering. A modified, two-parameter relaxation-time model is considered that simulates the low rate of scattering through perpendicular pitch-angle. Scattering is taken to be isotropic within each of the foward- and backward-pointing hemispheres, respectively, but, at the same time, a reduced rate of sccattering is assumed from one hemisphere to the other one. By applying a technique of Fourier- and Laplace-transform, the inverse transformation can be performed and exact solutions can be reached. By contrast with the first, and so far only exact solutions of Federov and Shakov, this wider class of solutions gives rise to coherent pulses to appear. The present work addresses omnidirectional densities for isotropic injection from an instantaneous and localized source. The dispersion relations are briefly discussed. We find, for this particular model, two diffusive models to exist up to a certain limiting wavenumber. The corresponding eigenvalues are real at the lowest wavenumbers. Complex eigenvalues, which are responsible for coherent pulses, appear at higher wavenumbers.

Role of solution structure in self-assembly of conjugated block copolymer thin films

DOE PAGES

Brady, Michael A.; Ku, Sung -Yu; Perez, Louis A.; ...

2016-10-24

Conjugated block copolymers provide a pathway to achieve thermally stable nanostructured thin films for organic solar cells. We characterized the structural evolution of poly(3-hexylthiophene)- block-poly(diketopyrrolopyrrole–terthiophene) (P3HT- b-DPPT-T) from solution to nanostructured thin films. Aggregation of the DPPT-T block of P3HT- b-DPPT-T was found in solution by small-angle X-ray scattering with the P3HT block remaining well-solvated. The nanostructure in thin films was determined using a combination of wide and small-angle X-ray scattering techniques as a function of processing conditions. The structure in solution controlled the initial nanostructure in spin-cast thin films, allowing subsequent thermal annealing processes to further improve the ordering.more » In contrast to the results for thin films, nanostructural ordering was not observed in the bulk samples by small-angle X-ray scattering. Finally, these results suggest the importance of controlling solvent induced aggregation in forming nanostructured thin films of conjugated block copolymers.« less

Role of solution structure in self-assembly of conjugated block copolymer thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brady, Michael A.; Ku, Sung -Yu; Perez, Louis A.

Conjugated block copolymers provide a pathway to achieve thermally stable nanostructured thin films for organic solar cells. We characterized the structural evolution of poly(3-hexylthiophene)- block-poly(diketopyrrolopyrrole–terthiophene) (P3HT- b-DPPT-T) from solution to nanostructured thin films. Aggregation of the DPPT-T block of P3HT- b-DPPT-T was found in solution by small-angle X-ray scattering with the P3HT block remaining well-solvated. The nanostructure in thin films was determined using a combination of wide and small-angle X-ray scattering techniques as a function of processing conditions. The structure in solution controlled the initial nanostructure in spin-cast thin films, allowing subsequent thermal annealing processes to further improve the ordering.more » In contrast to the results for thin films, nanostructural ordering was not observed in the bulk samples by small-angle X-ray scattering. Finally, these results suggest the importance of controlling solvent induced aggregation in forming nanostructured thin films of conjugated block copolymers.« less

Analysis and measurement of electromagnetic scattering by pyramidal and wedge absorbers

NASA Technical Reports Server (NTRS)

Dewitt, B. T.; Burnside, Walter D.

1986-01-01

By modifying the reflection coefficients in the Uniform Geometrical Theory of Diffraction a solution that approximates the scattering from a dielectric wedge is found. This solution agrees closely with the exact solution of Rawlins which is only valid for a few minor cases. This modification is then applied to the corner diffraction coefficient and combined with an equivalent current and geometrical optics solutions to model scattering from pyramid and wedge absorbers. Measured results from 12 inch pyramid absorbers from 2 to 18 GHz are compared to calculations assuming the returns add incoherently and assuming the returns add coherently. The measured results tend to be between the two curves. Measured results from the 8 inch wedge absorber are also compared to calculations with the return being dominated by the wedge diffraction. The procedures for measuring and specifying absorber performance are discussed and calibration equations are derived to calculate a reflection coefficient or a reflectivity using a reference sphere. Shaping changes to the present absorber designs are introduced to improve performance based on both high and low frequency analysis. Some prototypes were built and tested.

Application of Polarization in Particle Reactions.

NASA Astrophysics Data System (ADS)

Arash, Firooz

In this dissertation we have utilized polarization phenomena in particle reactions to study the revealing features of the reaction. First, it is shown that it is impossible to design a non-dynamical null-experiment to test the time-reversal invariant. Second, the optimal formalism representation is used to determine proton-proton elastic scattering amplitudes at 579 MeV and 800 MeV. It is shown that, despite an extensive set of data at 579 MeV, the resulting amplitudes have a four-fold ambiguity. At 800 MeV, however, we managed to obtain a unique solution. Thirdly, the polarization structure of two-body reaction in a collinear configuration is investigated, and it is demonstrated that the structure becomes much simpler than it was for the general configuration. It is shown that in a collinear reaction all observables in which only one particle is polarized vanish. The results of this study are also applicable to all models in which helicity conservation holds, since they are formally identical with collinear reactions. Fourthly, an amplitude test is conducted to search for dibaryon resonances in p-p elastic scattering and it is found that at the energies around 800 MeV there is no evidence for any singlet partial wave state resonances. There exist, however, some tantalizing subliminal evidence for ('3)F(,3) resonance. This method is also applied for pion-deutron elastic scattering to pin point the effect of a dibaryon resonance. We have also given a practical guideline to carry out a complete set of experiments toward the reconstruction of pion-deutron scattering amplitudes. Fifthly, evidence for the preeminence of one-particle-exchange mechanism is p-p elastic scattering is also examined in the 300 MeV - 6 GeV/c range. Finally, a phenomenological model is developed to explain a striking feature of p-p scattering amplitudes pertaining to the amplitudes being either purely real or purely imaginary, and having three amplitudes almost equal in magnitudes and three times smaller than one amplitude in magnitude. This feature is extended to (pi)('+)p and k('+)p elastic scattering where spin flip and spin non -flip amplitudes appear to be equal in magnitude.

Measuring the change in hydration of a polypeptide-based block polymer vesicle as a function of pH

NASA Astrophysics Data System (ADS)

Smith, Ian; Charlier, Alban; Shishlov, Alexander; Savin, Daniel

Amphiphilic AB2 star polymers undergo directed self-assembly into vesicles in aqueous solution. The overall structure of the assembly is responsive to a change in solution pH by incorporating an ionizable polypeptide as the A-block and two lipid-like tails for the B-blocks. Herein, we present some recent results in the solution characterization of polyglutamate-octadecanethiol2 (PE-DDT2) star polymers using static and dynamic light scattering, as well as transmission electron microscopy. An increase in pH will induce a transition in secondary structure of the PE block from an α-helix to an extended coil, thereby perturbing the morphological structure and resulting in an expansion of the vesicle. The magnitude of this response is much larger than what is expected based on the conformational transition of the peptide. The mechanism of this process can be probed by measuring the change in hydration at the surface of the hydrophobic bilayer. Towards this end, we utilize 2,4,6-trichloro-1,3,5-triazine (TCT) as a modular linker to install spin labels into the assembly as a mechanism to directly interrogate local hydrophobicity using electron paramagnetic resonance (EPR). NSF 1539347.

Frequency-domain method for measuring spectral properties in multiple-scattering media: methemoglobin absorption spectrum in a tissuelike phantom

NASA Astrophysics Data System (ADS)

Fishkin, Joshua B.; So, Peter T. C.; Cerussi, Albert E.; Gratton, Enrico; Fantini, Sergio; Franceschini, Maria Angela

1995-03-01

We have measured the optical absorption and scattering coefficient spectra of a multiple-scattering medium (i.e., a biological tissue-simulating phantom comprising a lipid colloid) containing methemoglobin by using frequency-domain techniques. The methemoglobin absorption spectrum determined in the multiple-scattering medium is in excellent agreement with a corrected methemoglobin absorption spectrum obtained from a steady-state spectrophotometer measurement of the optical density of a minimally scattering medium. The determination of the corrected methemoglobin absorption spectrum takes into account the scattering from impurities in the methemoglobin solution containing no lipid colloid. Frequency-domain techniques allow for the separation of the absorbing from the scattering properties of multiple-scattering media, and these techniques thus provide an absolute

Stimulated scattering in Ag nanoparticle colloids

NASA Astrophysics Data System (ADS)

Averyushkin, A. S.; Bulychev, N. A.; Efimkov, V. F.; Erokhin, A. I.; Kazaryan, M. A.; Mikhailov, S. I.; Saraeva, I. N.; Zubarev, I. G.

2017-05-01

A number of features of stimulated thermal Rayleigh scattering (STRS) in pure liquids and nanoparticle solutions are investigated in this work. It is shown that scattering efficiency is not reduced in the case of wide spectral bandwidth pump radiation. It is shown experimentally that the frequency shift of the scattered signal relative to the pump frequency greatly exceeds the theoretical value. It is also shown theoretically that the frequency shift value does not depend on the linewidth of the pump.

Wave multiple scattering by a finite number of unclosed circular cylinders

NASA Technical Reports Server (NTRS)

Veliyev, E. I.; Veremey, V. V.

1984-01-01

The boundary value problem of plane H-polarized electromagnetic wave multiple scattering by a finite number of unclosed circular cylinders is solved. The solution is obtained by two different methods: the method of successive scattering and the method of partial matrix inversion for simultaneous dual equations. The advantages of the successive scattering method are shown. Computer calculations of the suface currents and the total cross section are presented for the structure of two screens.

Two-dimensional Kerr-Fourier imaging of translucent phantoms in thick turbid media

NASA Astrophysics Data System (ADS)

Liang, X.; Wang, L.; Ho, P. P.; Alfano, R. R.

1995-06-01

Translucent scattering phantoms hidden inside a 5.5-cm-thick Intralipid solution were imaged as a function of phantom scattering coefficients by the use of a picosecond time-and space-gated Kerr-Fourier imaging system. A 2-mm-thick translucent phantom with a 0.1% concentration (scattering coefficient) difference from the 55-mm-thick surrounding scattering host can be distinguished at a signal level of approximately 10-10 of the incidence illumination intensity.

Anisotropy enhanced X-ray scattering from solvated transition metal complexes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Biasin, Elisa; van Driel, Tim B.; Levi, Gianluca

Time-resolved X-ray scattering patterns from photoexcited molecules in solution are in many cases anisotropic at the ultrafast time scales accessible at X-ray free-electron lasers (XFELs). This anisotropy arises from the interaction of a linearly polarized UV–Vis pump laser pulse with the sample, which induces anisotropic structural changes that can be captured by femtosecond X-ray pulses. In this work, a method for quantitative analysis of the anisotropic scattering signal arising from an ensemble of molecules is described, and it is demonstrated how its use can enhance the structural sensitivity of the time-resolved X-ray scattering experiment. This method is applied on time-resolvedmore » X-ray scattering patterns measured upon photoexcitation of a solvated di-platinum complex at an XFEL, and the key parameters involved are explored. Here it is shown that a combined analysis of the anisotropic and isotropic difference scattering signals in this experiment allows a more precise determination of the main photoinduced structural change in the solute,i.e.the change in Pt—Pt bond length, and yields more information on the excitation channels than the analysis of the isotropic scattering only. Finally, it is discussed how the anisotropic transient response of the solvent can enable the determination of key experimental parameters such as the instrument response function.« less

Anisotropy enhanced X-ray scattering from solvated transition metal complexes

DOE PAGES

Biasin, Elisa; van Driel, Tim B.; Levi, Gianluca; ...

2018-02-13

Time-resolved X-ray scattering patterns from photoexcited molecules in solution are in many cases anisotropic at the ultrafast time scales accessible at X-ray free-electron lasers (XFELs). This anisotropy arises from the interaction of a linearly polarized UV–Vis pump laser pulse with the sample, which induces anisotropic structural changes that can be captured by femtosecond X-ray pulses. In this work, a method for quantitative analysis of the anisotropic scattering signal arising from an ensemble of molecules is described, and it is demonstrated how its use can enhance the structural sensitivity of the time-resolved X-ray scattering experiment. This method is applied on time-resolvedmore » X-ray scattering patterns measured upon photoexcitation of a solvated di-platinum complex at an XFEL, and the key parameters involved are explored. Here it is shown that a combined analysis of the anisotropic and isotropic difference scattering signals in this experiment allows a more precise determination of the main photoinduced structural change in the solute,i.e.the change in Pt—Pt bond length, and yields more information on the excitation channels than the analysis of the isotropic scattering only. Finally, it is discussed how the anisotropic transient response of the solvent can enable the determination of key experimental parameters such as the instrument response function.« less

Numerical solution of acoustic scattering by finite perforated elastic plates

PubMed Central

2016-01-01

We present a numerical method to compute the acoustic field scattered by finite perforated elastic plates. A boundary element method is developed to solve the Helmholtz equation subjected to boundary conditions related to the plate vibration. These boundary conditions are recast in terms of the vibration modes of the plate and its porosity, which enables a direct solution procedure. A parametric study is performed for a two-dimensional problem whereby a cantilevered perforated elastic plate scatters sound from a point quadrupole near the free edge. Both elasticity and porosity tend to diminish the scattered sound, in agreement with previous work considering semi-infinite plates. Finite elastic plates are shown to reduce acoustic scattering when excited at high Helmholtz numbers k0 based on the plate length. However, at low k0, finite elastic plates produce only modest reductions or, in cases related to structural resonance, an increase to the scattered sound level relative to the rigid case. Porosity, on the other hand, is shown to be more effective in reducing the radiated sound for low k0. The combined beneficial effects of elasticity and porosity are shown to be effective in reducing the scattered sound for a broader range of k0 for perforated elastic plates. PMID:27274685

Numerical solution of acoustic scattering by finite perforated elastic plates.

PubMed

Cavalieri, A V G; Wolf, W R; Jaworski, J W

2016-04-01

We present a numerical method to compute the acoustic field scattered by finite perforated elastic plates. A boundary element method is developed to solve the Helmholtz equation subjected to boundary conditions related to the plate vibration. These boundary conditions are recast in terms of the vibration modes of the plate and its porosity, which enables a direct solution procedure. A parametric study is performed for a two-dimensional problem whereby a cantilevered perforated elastic plate scatters sound from a point quadrupole near the free edge. Both elasticity and porosity tend to diminish the scattered sound, in agreement with previous work considering semi-infinite plates. Finite elastic plates are shown to reduce acoustic scattering when excited at high Helmholtz numbers k 0 based on the plate length. However, at low k 0 , finite elastic plates produce only modest reductions or, in cases related to structural resonance, an increase to the scattered sound level relative to the rigid case. Porosity, on the other hand, is shown to be more effective in reducing the radiated sound for low k 0 . The combined beneficial effects of elasticity and porosity are shown to be effective in reducing the scattered sound for a broader range of k 0 for perforated elastic plates.

Scattering of cylindrical electric field waves from an elliptical dielectric cylindrical shell

NASA Astrophysics Data System (ADS)

Urbanik, E. A.

1982-12-01

This thesis examines the scattering of cylindrical waves by large dielectric scatterers of elliptic cross section. The solution method was the method of moments using a Galerkin approach. Sinusoidal basis and testing functions were used resulting in a higher convergence rate. The higher rate of convergence made it possible for the program to run on the Aeronautical Systems Division's CYBER computers without any special storage methods. This report includes discussion on moment methods, solution of integral equations, and the relationship between the electric field and the source region or self cell singularity. Since the program produced unacceptable run times, no results are contained herein. The importance of this work is the evaluation of the practicality of moment methods using standard techniques. The long run times for a mid-sized scatterer demonstrate the impracticality of moment methods for dielectrics using standard techniques.

Spatial resolution study and power calibration of the high-k scattering system on NSTX.

PubMed

Lee, W; Park, H K; Cho, M H; Namkung, W; Smith, D R; Domier, C W; Luhmann, N C

2008-10-01

NSTX high-k scattering system has been extensively utilized in studying the microturbulence and coherent waves. An absolute calibration of the scattering system was performed employing a new millimeter-wave source and calibrated attenuators. One of the key parameters essential for the calibration of the multichannel scattering system is the interaction length. This interaction length is significantly different from the conventional one due to the curvature and magnetic shear effect.

Vacuum solutions of five dimensional Einstein equations generated by inverse scattering method. II. Production of the black ring solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tomizawa, Shinya; Nozawa, Masato

2006-06-15

We study vacuum solutions of five-dimensional Einstein equations generated by the inverse scattering method. We reproduce the black ring solution which was found by Emparan and Reall by taking the Euclidean Levi-Civita metric plus one-dimensional flat space as a seed. This transformation consists of two successive processes; the first step is to perform the three-solitonic transformation of the Euclidean Levi-Civita metric with one-dimensional flat space as a seed. The resulting metric is the Euclidean C-metric with extra one-dimensional flat space. The second is to perform the two-solitonic transformation by taking it as a new seed. Our result may serve asmore » a stepping stone to find new exact solutions in higher dimensions.« less

Specific physical and chemical properties of two modifications of poly(N-vinylcaprolcatam)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chihacheva, I. P.; Timaeva, O. I.; Kuz’micheva, G. M., E-mail: galina-kuzmicheva@list.ru

2016-05-15

Two modifications of poly(N-vinylcaprolactam)—PVCL25 and PVCL40 (drying of a PVCL solution at 25 and 40°C, respectively)—as powdered films and their solutions were systematically investigated for the first time. Powders were studied by X-ray diffraction, IR spectroscopy, scanning electron microscopy, low-temperature krypton adsorption, and differential scanning calorimetry. Solutions were studied by smallangle X-ray scattering and dynamic light scattering. It was demonstrated that powders of PVCL25 and PVCL40 differ in the characteristics of the sub- and microstructure and in the water content and the solutions differ in the particle size. The relationships between the characteristics of the systems in the solid andmore » liquid state and between the hydrodynamic diameter of PVCL particles in solution and their coagulation time were found.« less

On the use of flux limiters in the discrete ordinates method for 3D radiation calculations in absorbing and scattering media

NASA Astrophysics Data System (ADS)

Godoy, William F.; DesJardin, Paul E.

2010-05-01

The application of flux limiters to the discrete ordinates method (DOM), SN, for radiative transfer calculations is discussed and analyzed for 3D enclosures for cases in which the intensities are strongly coupled to each other such as: radiative equilibrium and scattering media. A Newton-Krylov iterative method (GMRES) solves the final systems of linear equations along with a domain decomposition strategy for parallel computation using message passing libraries in a distributed memory system. Ray effects due to angular discretization and errors due to domain decomposition are minimized until small variations are introduced by these effects in order to focus on the influence of flux limiters on errors due to spatial discretization, known as numerical diffusion, smearing or false scattering. Results are presented for the DOM-integrated quantities such as heat flux, irradiation and emission. A variety of flux limiters are compared to "exact" solutions available in the literature, such as the integral solution of the RTE for pure absorbing-emitting media and isotropic scattering cases and a Monte Carlo solution for a forward scattering case. Additionally, a non-homogeneous 3D enclosure is included to extend the use of flux limiters to more practical cases. The overall balance of convergence, accuracy, speed and stability using flux limiters is shown to be superior compared to step schemes for any test case.

Inverse scattering transform and soliton solutions for square matrix nonlinear Schrödinger equations with non-zero boundary conditions

NASA Astrophysics Data System (ADS)

Prinari, Barbara; Demontis, Francesco; Li, Sitai; Horikis, Theodoros P.

2018-04-01

The inverse scattering transform (IST) with non-zero boundary conditions at infinity is developed for an m × m matrix nonlinear Schrödinger-type equation which, in the case m = 2, has been proposed as a model to describe hyperfine spin F = 1 spinor Bose-Einstein condensates with either repulsive interatomic interactions and anti-ferromagnetic spin-exchange interactions (self-defocusing case), or attractive interatomic interactions and ferromagnetic spin-exchange interactions (self-focusing case). The IST for this system was first presented by Ieda et al. (2007) , using a different approach. In our formulation, both the direct and the inverse problems are posed in terms of a suitable uniformization variable which allows to develop the IST on the standard complex plane, instead of a two-sheeted Riemann surface or the cut plane with discontinuities along the cuts. Analyticity of the scattering eigenfunctions and scattering data, symmetries, properties of the discrete spectrum, and asymptotics are derived. The inverse problem is posed as a Riemann-Hilbert problem for the eigenfunctions, and the reconstruction formula of the potential in terms of eigenfunctions and scattering data is provided. In addition, the general behavior of the soliton solutions is analyzed in detail in the 2 × 2 self-focusing case, including some special solutions not previously discussed in the literature.

The life science X-ray scattering beamline at NSLS-II

DOE Office of Scientific and Technical Information (OSTI.GOV)

DiFabio, Jonathan; Yang, Lin; Chodankar, Shirish

We report the current development status of the High Brightness X-ray Scattering for Life Sciences (or Life Science X-ray Scattering, LiX) beamline at the NSLS-II facility of Brookhaven National Laboratory. This instrument will operate in the x-ray energy range of 2.1-18 keV, provide variable beam sizes from 1 micron to ~0.5 mm, and support user experiments in three scientific areas: (1) high-throughput solution scattering, in-line size exclusion chromatography and flow mixers-based time-resolved solution scattering of biological macro-molecules, (2) diffraction from single- and multi-layered lipid membranes, and (3) scattering-based scanning probe imaging of biological tissues. In order to satisfy the beammore » stability required for these experiments and to switch rapidly between different types of experiments, we have adopted a secondary source with refractive lenses for secondary focusing, a detector system consisting of three Pilatus detectors, and specialized experimental modules that can be quickly exchanged and each dedicated to a defined set of experiments. The construction of this beamline is on schedule for completion in September 2015. User experiments are expected to start in Spring 2016.« less

The life science X-ray scattering beamline at NSLS-II

DOE PAGES

DiFabio, Jonathan; Yang, Lin; Chodankar, Shirish; ...

2015-09-30

We report the current development status of the High Brightness X-ray Scattering for Life Sciences (or Life Science X-ray Scattering, LiX) beamline at the NSLS-II facility of Brookhaven National Laboratory. This instrument will operate in the x-ray energy range of 2.1-18 keV, provide variable beam sizes from 1 micron to ~0.5 mm, and support user experiments in three scientific areas: (1) high-throughput solution scattering, in-line size exclusion chromatography and flow mixers-based time-resolved solution scattering of biological macro-molecules, (2) diffraction from single- and multi-layered lipid membranes, and (3) scattering-based scanning probe imaging of biological tissues. In order to satisfy the beammore » stability required for these experiments and to switch rapidly between different types of experiments, we have adopted a secondary source with refractive lenses for secondary focusing, a detector system consisting of three Pilatus detectors, and specialized experimental modules that can be quickly exchanged and each dedicated to a defined set of experiments. The construction of this beamline is on schedule for completion in September 2015. User experiments are expected to start in Spring 2016.« less

The life science x-ray scattering beamline at NSLS-II

DOE Office of Scientific and Technical Information (OSTI.GOV)

DiFabio, Jonathan; Chodankar, Shirish; Pjerov, Sal

We report the current development status of the High Brightness X-ray Scattering for Life Sciences (or Life Science X-ray Scattering, LiX) beamline at the NSLS-II facility of Brookhaven National Laboratory. This instrument will operate in the x-ray energy range of 2.1-18 keV, provide variable beam sizes from 1 micron to ∼0.5 mm, and support user experiments in three scientific areas: (1) high-throughput solution scattering, in-line size exclusion chromatography and flow mixers-based time-resolved solution scattering of biological macro-molecules, (2) diffraction from single- and multi-layered lipid membranes, and (3) scattering-based scanning probe imaging of biological tissues. In order to satisfy the beammore » stability required for these experiments and to switch rapidly between different types of experiments, we have adopted a secondary source with refractive lenses for secondary focusing, a detector system consisting of three Pilatus detectors, and specialized experimental modules that can be quickly exchanged and each dedicated to a defined set of experiments. The construction of this beamline is on schedule for completion in September 2015. User experiments are expected to start in Spring 2016.« less

A boundary integral approach to the scattering of nonplanar acoustic waves by rigid bodies

NASA Technical Reports Server (NTRS)

Gallman, Judith M.; Myers, M. K.; Farassat, F.

1990-01-01

The acoustic scattering of an incident wave by a rigid body can be described by a singular Fredholm integral equation of the second kind. This equation is derived by solving the wave equation using generalized function theory, Green's function for the wave equation in unbounded space, and the acoustic boundary condition for a perfectly rigid body. This paper will discuss the derivation of the wave equation, its reformulation as a boundary integral equation, and the solution of the integral equation by the Galerkin method. The accuracy of the Galerkin method can be assessed by applying the technique outlined in the paper to reproduce the known pressure fields that are due to various point sources. From the analysis of these simpler cases, the accuracy of the Galerkin solution can be inferred for the scattered pressure field caused by the incidence of a dipole field on a rigid sphere. The solution by the Galerkin technique can then be applied to such problems as a dipole model of a propeller whose pressure field is incident on a rigid cylinder. This is the groundwork for modeling the scattering of rotating blade noise by airplane fuselages.

The Propagation and Scattering of EM Waves in Electrically Large Ducts

NASA Astrophysics Data System (ADS)

Khan, Saeed Mahmood

The electromagnetic scattering from large arbitrarily shaped ducts with complex termination is studied here by a hybrid technique. The propagation of electromagnetic waves in the duct is analyzed in terms of an approximate modal solution. A finite difference technique is employed for computing the reflection characteristics of the complex terminations. Both solutions are combined using the unimoment method. The analysis here is carried out for monostatic RCS and considers only fields backscattered from inside the cavity. Rim-diffraction has been left out. The procedure offers such advantages as in that it is not necessary to find complicated Green's functions, which may not be readily available, when compared with the integral equation method. Hybridization performed by combining an approximate modal technique with a finite difference one makes the scheme numerically efficient. From a computational EM point of view, it brings together a whole spectrum of techniques associated with high frequency modal analysis, Fourier Methods, Radar Cross Section and Scattering, finite difference solution and the Unimoment Method. The practical application of this technique may range from the study of RCS scattered from jet inlets of radar evasive aircraft to submarine communication waveguides.

Confluent Heun functions and the physics of black holes: Resonant frequencies, Hawking radiation and scattering of scalar waves

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vieira, H.S., E-mail: horacio.santana.vieira@hotmail.com; Centro de Ciências, Tecnologia e Saúde, Universidade Estadual da Paraíba, CEP 58233-000, Araruna, PB; Bezerra, V.B., E-mail: valdir@fisica.ufpb.br

We apply the confluent Heun functions to study the resonant frequencies (quasispectrum), the Hawking radiation and the scattering process of scalar waves, in a class of spacetimes, namely, the ones generated by a Kerr–Newman–Kasuya spacetime (dyon black hole) and a Reissner–Nordström black hole surrounded by a magnetic field (Ernst spacetime). In both spacetimes, the solutions for the angular and radial parts of the corresponding Klein–Gordon equations are obtained exactly, for massive and massless fields, respectively. The special cases of Kerr and Schwarzschild black holes are analyzed and the solutions obtained, as well as in the case of a Schwarzschild blackmore » hole surrounded by a magnetic field. In all these special situations, the resonant frequencies, Hawking radiation and scattering are studied. - Highlights: • Charged massive scalar field in the dyon black hole and massless scalar field in the Ernst spacetime are analyzed. • The confluent Heun functions are applied to obtain the solution of the Klein–Gordon equation. • The resonant frequencies are obtained. • The Hawking radiation and the scattering process of scalar waves are examined.« less

Intensity enhancement and selective detection of proximate solvent molecules by molecular near-field effect in resonance hyper-Raman scattering

NASA Astrophysics Data System (ADS)

Shimada, Rintaro; Kano, Hideaki; Hamaguchi, Hiro-o.

2008-07-01

A new molecular phenomenon associated with resonance hyper-Raman (HR) scattering in solution has been discovered. Resonance HR spectra of all-trans-β-carotene and all-trans-lycopene in various solvents exhibited several extra bands that were not assignable to the solute but were unequivocally assigned to the solvents. Neat solvents did not show detectable HR signals under the same experimental conditions. Similar experiments with all-trans-retinal did not exhibit such enhancement either. All-trans-β-carotene and all-trans-lycopene have thus been shown to induce enhanced HR scattering of solvent molecules through a novel molecular effect that is not associated with all-trans-retinal. We call this new effect the "molecular near-field effect." In order to explain this newly found effect, an extended vibronic theory of resonance HR scattering is developed where the vibronic interaction including the proximate solvent molecule (intermolecular vibronic coupling) is explicitly introduced in the solute hyperpolarizability tensor. The potential of "molecular near-field HR spectroscopy," which selectively detects molecules existing in the close vicinity of a HR probe in complex chemical or biological systems, is discussed.

Label-free hyperspectral dark-field microscopy for quantitative scatter imaging

NASA Astrophysics Data System (ADS)

Cheney, Philip; McClatchy, David; Kanick, Stephen; Lemaillet, Paul; Allen, David; Samarov, Daniel; Pogue, Brian; Hwang, Jeeseong

2017-03-01

A hyperspectral dark-field microscope has been developed for imaging spatially distributed diffuse reflectance spectra from light-scattering samples. In this report, quantitative scatter spectroscopy is demonstrated with a uniform scattering phantom, namely a solution of polystyrene microspheres. A Monte Carlo-based inverse model was used to calculate the reduced scattering coefficients of samples of different microsphere concentrations from wavelength-dependent backscattered signal measured by the dark-field microscope. The results are compared to the measurement results from a NIST double-integrating sphere system for validation. Ongoing efforts involve quantitative mapping of scattering and absorption coefficients in samples with spatially heterogeneous optical properties.

Solution of electromagnetic scattering and radiation problems using a spectral domain approach - A review

NASA Technical Reports Server (NTRS)

Mittra, R.; Ko, W. L.; Rahmat-Samii, Y.

1979-01-01

This paper presents a brief review of some recent developments on the use of the spectral-domain approach for deriving high-frequency solutions to electromagnetics scattering and radiation problems. The spectral approach is not only useful for interpreting the well-known Keller formulas based on the geometrical theory of diffraction (GTD), it can also be employed for verifying the accuracy of GTD and other asymptotic solutions and systematically improving the results when such improvements are needed. The problem of plane wave diffraction by a finite screen or a strip is presented as an example of the application of the spectral-domain approach.

Recent applications of small-angle neutron scattering in strongly interacting soft condensed matter

NASA Astrophysics Data System (ADS)

Wignall, G. D.; Melnichenko, Y. B.

2005-08-01

Before the application of small-angle neutron scattering (SANS) to the study of polymer structure, chain conformation studies were limited to light and small-angle x-ray scattering techniques, usually conducted in dilute solution owing to the difficulties of separating the inter- and intrachain contributions to the structure. The unique role of neutron scattering in soft condensed matter arises from the difference in the coherent scattering length between deuterium (bD = 0.67 × 10-12 cm) and hydrogen (bH = -0.37 × 10-12 cm), which results in a marked difference in scattering power (contrast) between molecules synthesized from normal (hydrogeneous) and deuterated monomer units. Thus, deuterium labelling techniques may be used to 'stain' molecules and make them 'visible' in the condensed state and other crowded environments, such as concentrated solutions of overlapping chains. For over two decades, SANS has proved to be a powerful tool for studies of structure-property relationships in polymeric systems and has made it possible to extract unique information about their size, shape, conformational changes and molecular associations. These applications are now so numerous that an exhaustive review of the field is no longer practical, so the authors propose to focus on the use of SANS for studies of strongly interacting soft matter systems. This paper will therefore discuss basic theory and practical aspects of the technique and will attempt to explain the physics of scattering with the minimum of unnecessary detail and mathematical rigour. Examples will be given to demonstrate the power of SANS and to show how it has helped to unveil universal aspects of the behaviour of macromolecules in such apparently diverse systems as polymer solutions, blends, polyelectrolytes and supercritical mixtures. The aim of the authors is to aid potential users who have a general scientific background, but no specialist knowledge of scattering, to understand the potential of the technique and, if they so choose, to apply it to provide new information in areas of their own particular research interests.

Compactness and robustness: Applications in the solution of integral equations for chemical kinetics and electromagnetic scattering

NASA Astrophysics Data System (ADS)

Zhou, Yajun

This thesis employs the topological concept of compactness to deduce robust solutions to two integral equations arising from chemistry and physics: the inverse Laplace problem in chemical kinetics and the vector wave scattering problem in dielectric optics. The inverse Laplace problem occurs in the quantitative understanding of biological processes that exhibit complex kinetic behavior: different subpopulations of transition events from the "reactant" state to the "product" state follow distinct reaction rate constants, which results in a weighted superposition of exponential decay modes. Reconstruction of the rate constant distribution from kinetic data is often critical for mechanistic understandings of chemical reactions related to biological macromolecules. We devise a "phase function approach" to recover the probability distribution of rate constants from decay data in the time domain. The robustness (numerical stability) of this reconstruction algorithm builds upon the continuity of the transformations connecting the relevant function spaces that are compact metric spaces. The robust "phase function approach" not only is useful for the analysis of heterogeneous subpopulations of exponential decays within a single transition step, but also is generalizable to the kinetic analysis of complex chemical reactions that involve multiple intermediate steps. A quantitative characterization of the light scattering is central to many meteoro-logical, optical, and medical applications. We give a rigorous treatment to electromagnetic scattering on arbitrarily shaped dielectric media via the Born equation: an integral equation with a strongly singular convolution kernel that corresponds to a non-compact Green operator. By constructing a quadratic polynomial of the Green operator that cancels out the kernel singularity and satisfies the compactness criterion, we reveal the universality of a real resonance mode in dielectric optics. Meanwhile, exploiting the properties of compact operators, we outline the geometric and physical conditions that guarantee a robust solution to the light scattering problem, and devise an asymptotic solution to the Born equation of electromagnetic scattering for arbitrarily shaped dielectric in a non-perturbative manner.

Scattering of massless scalar waves by magnetically charged black holes in Einstein-Yang-Mills-Higgs theory

NASA Astrophysics Data System (ADS)

Gußmann, Alexander

2017-03-01

The existence of the classical black hole solutions of the Einstein-Yang-Mills-Higgs equations with non-Abelian Yang-Mills-Higgs hair implies that not all classical stationary magnetically charged black holes can be uniquely described by their asymptotic characteristics. In fact, in a certain domain of parameters, there exist different spherically-symmetric, non-rotating and asymptotically-flat classical black hole solutions of the Einstein-Yang-Mills-Higgs equations which have the same ADM mass and the same magnetic charge but significantly different geometries in the near-horizon regions. (These are black hole solutions which are described by a Reissner-Nordström metric on the one hand and the black hole solutions with non-Abelian Yang-Mills-Higgs hair which are described by a metric which is not of Reissner-Nordström form on the other hand). One can experimentally distinguish such black holes with the same asymptotic characteristics but different near-horizon geometries classically by probing the near-horizon regions of the black holes. We argue that one way to probe the near-horizon region of a black hole which allows one to distinguish magnetically charged black holes with the same asymptotic characteristics but different near-horizon geometries is by classical scattering of waves. Using the example of a minimally-coupled massless probe scalar field scattered by magnetically charged black holes which can be obtained as solutions of the Einstein-Yang-Mills-Higgs equations with a Higgs triplet and gauge group SU(2) in the limit of an infinite Higgs self-coupling constant we show how, in this case, the scattering cross sections differ for the magnetically charged black holes with different near-horizon geometries but the same asymptotic characteristics. We find in particular that the characteristic glory peaks in the cross sections are located at different scattering angles.

Improved utilization of photogenerated charge using fluorine-doped TiO(2) hollow spheres scattering layer in dye-sensitized solar cells.

PubMed

Song, Junling; Yang, Hong Bin; Wang, Xiu; Khoo, Si Yun; Wong, C C; Liu, Xue-Wei; Li, Chang Ming

2012-07-25

We demonstrate a strategy to improve utilization of photogenerated charge in dye-sensitized solar cells (DSSCs) with fluorine-doped TiO2 hollow spheres as the scattering layer, which improves the fill factor from 69.4% to 74.1% and in turn results in an overall efficiency of photoanode increased by 13% (from 5.62% to 6.31%) in comparison with the control device using undoped TiO2 hollow spheres. It is proposed that the fluorine-doping improves the charge transfer and inhibition of charge recombination to enhance the utilization of the photogenerated charge in the photoanode.

TH-CD-207A-08: Simulated Real-Time Image Guidance for Lung SBRT Patients Using Scatter Imaging

DOE Office of Scientific and Technical Information (OSTI.GOV)

Redler, G; Cifter, G; Templeton, A

2016-06-15

Purpose: To develop a comprehensive Monte Carlo-based model for the acquisition of scatter images of patient anatomy in real-time, during lung SBRT treatment. Methods: During SBRT treatment, images of patient anatomy can be acquired from scattered radiation. To rigorously examine the utility of scatter images for image guidance, a model is developed using MCNP code to simulate scatter images of phantoms and lung cancer patients. The model is validated by comparing experimental and simulated images of phantoms of different complexity. The differentiation between tissue types is investigated by imaging objects of known compositions (water, lung, and bone equivalent). A lungmore » tumor phantom, simulating materials and geometry encountered during lung SBRT treatments, is used to investigate image noise properties for various quantities of delivered radiation (monitor units(MU)). Patient scatter images are simulated using the validated simulation model. 4DCT patient data is converted to an MCNP input geometry accounting for different tissue composition and densities. Lung tumor phantom images acquired with decreasing imaging time (decreasing MU) are used to model the expected noise amplitude in patient scatter images, producing realistic simulated patient scatter images with varying temporal resolution. Results: Image intensity in simulated and experimental scatter images of tissue equivalent objects (water, lung, bone) match within the uncertainty (∼3%). Lung tumor phantom images agree as well. Specifically, tumor-to-lung contrast matches within the uncertainty. The addition of random noise approximating quantum noise in experimental images to simulated patient images shows that scatter images of lung tumors can provide images in as fast as 0.5 seconds with CNR∼2.7. Conclusions: A scatter imaging simulation model is developed and validated using experimental phantom scatter images. Following validation, lung cancer patient scatter images are simulated. These simulated patient images demonstrate the clinical utility of scatter imaging for real-time tumor tracking during lung SBRT.« less

Acoustic resonance scattering from a multilayered cylindrical shell with imperfect bonding.

PubMed

Rajabi, M; Hasheminejad, Seyyed M

2009-12-01

The method of wave function expansion is adopted to study the three dimensional scattering of a time-harmonic plane progressive sound field obliquely incident upon a multi-layered hollow cylinder with interlaminar bonding imperfection. For the generality of solution, each layer is assumed to be cylindrically orthotropic. An approximate laminate model in the context of the modal state equations with variable coefficients along with the classical T-matrix solution technique is set up for each layer to solve for the unknown modal scattering and transmission coefficients. A linear spring model is used to describe the interlaminar adhesive bonding whose effects are incorporated into the global transfer matrix by introduction of proper interfacial transfer matrices. Following the classic acoustic resonance scattering theory (RST), the scattered field and response to surface waves are determined by constructing the partial waves and obtaining the non-resonance (backgrounds) and resonance components. The solution is first used to investigate the effect of interlayer imperfection of an air-filled and water submerged bilaminate aluminium cylindrical shell on the resonances associated with various modes of wave propagation (i.e., symmetric/asymmetric Lamb waves, fluid-borne A-type waves, Rayleigh and Whispering Gallery waves) appearing in the backscattered spectrum, according to their polarization and state of stress. An illustrative numerical example is also given for a multi-layered (five-layered) cylindrical shell for which the stiffness of the adhesive interlayers is artificially varied. The sensitivity of resonance frequencies associated with higher mode numbers to the stiffness coefficients is demonstrated to be a good measure of the bonding strength. Limiting cases are considered and fair agreements with solutions available in the literature are established.

Kaon-nucleus scattering

NASA Technical Reports Server (NTRS)

Hong, Byungsik; Buck, Warren W.; Maung, Khin M.

1989-01-01

Two kinds of number density distributions of the nucleus, harmonic well and Woods-Saxon models, are used with the t-matrix that is taken from the scattering experiments to find a simple optical potential. The parameterized two body inputs, which are kaon-nucleon total cross sections, elastic slope parameters, and the ratio of the real to imaginary part of the forward elastic scattering amplitude, are shown. The eikonal approximation was chosen as the solution method to estimate the total and absorptive cross sections for the kaon-nucleus scattering.

Controlling adsorption and passivation properties of bovine serum albumin on silica surfaces by ionic strength modulation and cross-linking.

PubMed

Park, Jae Hyeon; Sut, Tun Naw; Jackman, Joshua A; Ferhan, Abdul Rahim; Yoon, Bo Kyeong; Cho, Nam-Joon

2017-03-29

Understanding the physicochemical factors that influence protein adsorption onto solid supports holds wide relevance for fundamental insights into protein structure and function as well as for applications such as surface passivation. Ionic strength is a key parameter that influences protein adsorption, although how its modulation might be utilized to prepare well-coated protein adlayers remains to be explored. Herein, we investigated how ionic strength can be utilized to control the adsorption and passivation properties of bovine serum albumin (BSA) on silica surfaces. As protein stability in solution can influence adsorption kinetics, the size distribution and secondary structure of proteins in solution were first characterized by dynamic light scattering (DLS), nanoparticle tracking analysis (NTA), and circular dichroism (CD) spectroscopy. A non-monotonic correlation between ionic strength and protein aggregation was observed and attributed to colloidal agglomeration, while the primarily α-helical character of the protein in solution was maintained in all cases. Quartz crystal microbalance-dissipation (QCM-D) experiments were then conducted in order to track protein adsorption onto silica surfaces as a function of ionic strength, and the measurement responses indicated that total protein uptake at saturation coverage is lower with increasing ionic strength. In turn, the QCM-D data and the corresponding Voigt-Voinova model analysis support that the surface area per bound protein molecule is greater with increasing ionic strength. While higher protein uptake under lower ionic strengths by itself did not result in greater surface passivation under subsequent physiologically relevant conditions, the treatment of adsorbed protein layers with a gluteraldehyde cross-linking agent stabilized the bound protein in this case and significantly improved surface passivation. Collectively, our findings demonstrate that ionic strength modulation influences BSA adsorption uptake on account of protein spreading and can be utilized in conjunction with covalent cross-linking strategies to prepare well-coated protein adlayers for improved surface passivation.

Light scattering measurements supporting helical structures for chromatin in solution.

PubMed

Campbell, A M; Cotter, R I; Pardon, J F

1978-05-01

Laser light scattering measurements have been made on a series of polynucleosomes containing from 50 to 150 nucleosomes. Radii of gyration have been determined as a function of polynucleosome length for different ionic strength solutions. The results suggest that at low ionic strength the chromatin adopts a loosely helical structure rather than a random coil. The helix becomes more regular on increasing the ionic strength, the dimension resembling those proposed by Finch and Klug for their solenoid model.

Volterra integral equation-factorisation method and nucleus-nucleus elastic scattering

NASA Astrophysics Data System (ADS)

Laha, U.; Majumder, M.; Bhoi, J.

2018-04-01

An approximate solution for the nuclear Hulthén plus atomic Hulthén potentials is constructed by solving the associated Volterra integral equation by series substitution method. Within the framework of supersymmetry-inspired factorisation method, this solution is exploited to construct higher partial wave interactions. The merit of our approach is examined by computing elastic scattering phases of the α {-}α system by the judicious use of phase function method. Reasonable agreements in phase shifts are obtained with standard data.

Small-angle neutron scattering study of the structure of mixed micellar solutions based on heptaethylene glycol monotetradecyl ether and cesium dodecyl sulfate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rajewska, A., E-mail: aldonar@jinr.ru; Medrzycka, K.; Hallmann, E.

2016-01-15

The micellization in mixed aqueous systems based on a nonionic surfactant, heptaethylene glycol monotetradecyl ether (C{sub 14}E{sub 7}), and an anionic surfactant, cesium dodecyl sulfate, has been investigated by small-angle neutron scattering. Preliminary data on the behavior of the C{sub 14}E{sub 7} aqueous solutions (with three concentrations, 0.17, 0.5, and 1%) mixed with a small amount of anionic surfactant, cesium dodecyl sulfate, are reported.

New method for investigation of cells and other biological objects in analytical cytology

NASA Astrophysics Data System (ADS)

Bilyi, Olexander I.; Getman, Vasyl B.; Kostyukevych, Sergey A.

2001-05-01

New method and instrument intended for checking the content of biology particles in dimension band 0.1-10.0 mkm in water flow is described in this report. The instrument measures the intensity of light scattered by the particles suspended in liquid flow when they are crossing the laser beam. The results of studying light scattered by platelet and bacterium's such a Pseudomonas aeruginosa, Escherichia coli, Micrococcus lutteus in such a liquid mediums as physiological solution and glucose solution are described.

Small-angle solution scattering using the mixed-mode pixel array detector.

PubMed

Koerner, Lucas J; Gillilan, Richard E; Green, Katherine S; Wang, Suntao; Gruner, Sol M

2011-03-01

Solution small-angle X-ray scattering (SAXS) measurements were obtained using a 128 × 128 pixel X-ray mixed-mode pixel array detector (MMPAD) with an 860 µs readout time. The MMPAD offers advantages for SAXS experiments: a pixel full-well of >2 × 10(7) 10 keV X-rays, a maximum flux rate of 10(8) X-rays pixel(-1) s(-1), and a sub-pixel point-spread function. Data from the MMPAD were quantitatively compared with data from a charge-coupled device (CCD) fiber-optically coupled to a phosphor screen. MMPAD solution SAXS data from lysozyme solutions were of equal or better quality than data captured by the CCD. The read-noise (normalized by pixel area) of the MMPAD was less than that of the CCD by an average factor of 3.0. Short sample-to-detector distances were required owing to the small MMPAD area (19.2 mm × 19.2 mm), and were revealed to be advantageous with respect to detector read-noise. As predicted by the Shannon sampling theory and confirmed by the acquisition of lysozyme solution SAXS curves, the MMPAD at short distances is capable of sufficiently sampling a solution SAXS curve for protein shape analysis. The readout speed of the MMPAD was demonstrated by continuously monitoring lysozyme sample evolution as radiation damage accumulated. These experiments prove that a small suitably configured MMPAD is appropriate for time-resolved solution scattering measurements.

Small-angle solution scattering using the mixed-mode pixel array detector

PubMed Central

Koerner, Lucas J.; Gillilan, Richard E.; Green, Katherine S.; Wang, Suntao; Gruner, Sol M.

2011-01-01

Solution small-angle X-ray scattering (SAXS) measurements were obtained using a 128 × 128 pixel X-ray mixed-mode pixel array detector (MMPAD) with an 860 µs readout time. The MMPAD offers advantages for SAXS experiments: a pixel full-well of >2 × 107 10 keV X-rays, a maximum flux rate of 108 X-rays pixel−1 s−1, and a sub-pixel point-spread function. Data from the MMPAD were quantitatively compared with data from a charge-coupled device (CCD) fiber-optically coupled to a phosphor screen. MMPAD solution SAXS data from lysozyme solutions were of equal or better quality than data captured by the CCD. The read-noise (normalized by pixel area) of the MMPAD was less than that of the CCD by an average factor of 3.0. Short sample-to-detector distances were required owing to the small MMPAD area (19.2 mm × 19.2 mm), and were revealed to be advantageous with respect to detector read-noise. As predicted by the Shannon sampling theory and confirmed by the acquisition of lysozyme solution SAXS curves, the MMPAD at short distances is capable of sufficiently sampling a solution SAXS curve for protein shape analysis. The readout speed of the MMPAD was demonstrated by continuously monitoring lysozyme sample evolution as radiation damage accumulated. These experiments prove that a small suitably configured MMPAD is appropriate for time-resolved solution scattering measurements. PMID:21335900

Kaon-nucleus scattering

NASA Technical Reports Server (NTRS)

Hong, Byungsik; Maung, Khin Maung; Wilson, John W.; Buck, Warren W.

1989-01-01

The derivations of the Lippmann-Schwinger equation and Watson multiple scattering are given. A simple optical potential is found to be the first term of that series. The number density distribution models of the nucleus, harmonic well, and Woods-Saxon are used without t-matrix taken from the scattering experiments. The parameterized two-body inputs, which are kaon-nucleon total cross sections, elastic slope parameters, and the ratio of the real to the imaginary part of the forward elastic scattering amplitude, are presented. The eikonal approximation was chosen as our solution method to estimate the total and absorptive cross sections for the kaon-nucleus scattering.

Controlling the spectral shape of nonlinear Thomson scattering with proper laser chirping

DOE PAGES

Rykovanov, S. G.; Geddes, C. G. R.; Schroeder, C. B.; ...

2016-03-18

Effects of nonlinearity in Thomson scattering of a high intensity laser pulse from electrons are analyzed. Analytic expressions for laser pulse shaping in frequency (chirping) are obtained which control spectrum broadening for high laser pulse intensities. These analytic solutions allow prediction of the spectral form and required laser parameters to avoid broadening. Results of analytical and numerical calculations agree well. The control over the scattered radiation bandwidth allows narrow bandwidth sources to be produced using high scattering intensities, which in turn greatly improves scattering yield for future x- and gamma-ray sources.

Characterization of seed nuclei in glucagon aggregation using light scattering methods and field-flow fractionation

PubMed Central

Hoppe, Cindy C; Nguyen, Lida T; Kirsch, Lee E; Wiencek, John M

2008-01-01

Background Glucagon is a peptide hormone with many uses as a therapeutic agent, including the emergency treatment of hypoglycemia. Physical instability of glucagon in solution leads to problems with the manufacture, formulation, and delivery of this pharmaceutical product. Glucagon has been shown to aggregate and form fibrils and gels in vitro. Small oligomeric precursors serve to initiate and nucleate the aggregation process. In this study, these initial aggregates, or seed nuclei, are characterized in bulk solution using light scattering methods and field-flow fractionation. Results High molecular weight aggregates of glucagon were detected in otherwise monomeric solutions using light scattering techniques. These aggregates were detected upon initial mixing of glucagon powder in dilute HCl and NaOH. In the pharmaceutically relevant case of acidic glucagon, the removal of aggregates by filtration significantly slowed the aggregation process. Field-flow fractionation was used to separate aggregates from monomeric glucagon and determine relative mass. The molar mass of the large aggregates was shown to grow appreciably over time as the glucagon solutions gelled. Conclusion The results of this study indicate that initial glucagon solutions are predominantly monomeric, but contain small quantities of large aggregates. These results suggest that the initial aggregates are seed nuclei, or intermediates which catalyze the aggregation process, even at low concentrations. PMID:18613970

Multiplexed plasmonic sensing based on small-dimension nanohole arrays and intensity interrogation

PubMed Central

Yang, Jiun-Chan; Ji, Jin; Hogle, James M.; Larson, Dale N.

2009-01-01

We performed multiplexed sensing on nanohole array devices to simultaneously obtain information on molecular absorption, scattering, and refractive-index change, which were distinguished by using different array structures with distinct optical behavior. Up to 25 arrays were fabricated within a 65 μm × 50 μm area to provide real-time information of the local surface environment. The performance of multiplexed sensing was examined by flowing NaCl, coomassie blue, bovine serum albumin, and liposome solutions that exhibit different visible light absorption / scattering properties and different refractive indices. Experimental artifacts from light source fluctuation, sample injections, and light scattering induced by aggregates in solutions were detected by monitoring superwavelength holes or nanohole arrays with different periodicity and hole diameters. PMID:19157848

Small angle scattering from protein/sugar conjugates

NASA Astrophysics Data System (ADS)

Jackson, Andrew; White, John

2006-11-01

The Maillard reaction between free amine groups on proteins and sugars is well known. We have examined the effect of the reaction of the casein group of milk proteins with sugars on their nanoscale structure and aggregation. The small angle neutron scattering from beta casein and sodium caseinate and their sugar conjugates have been studied as a function of solution concentration. At high conjugate concentration (greater than ca. 5 mg/ml) the addition of sugar reduces supra-micellar aggregation of the protein whilst at lower concentration, where the protein is expected to be deaggregated already, little effect is seen. Guinier analysis of the scattering data show a radius of gyration of around 75 A˚ for beta casein in solution and around 80 A˚ for the sucrose conjugate.

Non-LTE line formation in a magnetic field. I. Noncoherent scattering and true absorption

DOE Office of Scientific and Technical Information (OSTI.GOV)

Domke, H.; Staude, J.

1973-08-01

The formation of a Zeeman-multiplet by noncoherent scattering and true absorption in a Milne-- Eddington atmosphere is considered assuming a homogeneous magnetic field and complete depolarization of the atomic line levels. The transfer equation for the Stokes parameters is transformed into a scalar integral equation of the Wiener-- Hopf type which is solved by Sobolev's method in closed form. The influence of the magnetic field on the mean scattering number in an infinite medium is discussed. The solution of the line formation problem is obtained for a Planckian source fruction. This solution may be simplified by making the ''finite fieldmore » approximation'', which should be sufficiently accurate for practical purposes. (auth)« less

A Markov Chain-based quantitative study of angular distribution of photons through turbid slabs via isotropic light scattering

NASA Astrophysics Data System (ADS)

Li, Xuesong; Northrop, William F.

2016-04-01

This paper describes a quantitative approach to approximate multiple scattering through an isotropic turbid slab based on Markov Chain theorem. There is an increasing need to utilize multiple scattering for optical diagnostic purposes; however, existing methods are either inaccurate or computationally expensive. Here, we develop a novel Markov Chain approximation approach to solve multiple scattering angular distribution (AD) that can accurately calculate AD while significantly reducing computational cost compared to Monte Carlo simulation. We expect this work to stimulate ongoing multiple scattering research and deterministic reconstruction algorithm development with AD measurements.

Development of KSTAR Thomson scattering system.

PubMed

Lee, J H; Oh, S T; Wi, H M

2010-10-01

To measure the electron temperature (T(e)) and electron density (n(e)) profiles in the Korean Superconducting Tokamak Advanced Research (KSTAR) device for the KSTAR third campaign (September 2010), we designed and installed a Thomson scattering system. The KSTAR Thomson scattering system is designed as a tangential Thomson scattering system and utilizes the N-, L-, and B-ports. The N-port is designed for the collection optics with a cassette system, the L-port is the laser input port, and the B-port is the location of the beam dump. In this paper, we will describe the final design of the KSTAR Thomson scattering system.

Small angle neutron scattering study on the structural variation of lysozyme in bioprotectants

NASA Astrophysics Data System (ADS)

Koda, Shota; Takayama, Haruki; Shibata, Tomohiko; Mori, Tatsuya; Kojima, Seiji; Park, In-Sung; Shin, Tae-Gyu

2015-05-01

The thermal denaturation and subsequent structural variation of lysozyme in various bioprotectant candidate solutions such as trehalose and choline acetate have been investigated by using small angle neutron scattering and differential scanning calorimetry. The gyration radius shows little change with the addition of additives in a native state at room temperature. On heating the lysozyme solution, a remarkable increase in the gyration radius is observed at temperatures above the denaturation temperature without any bioprotectants. Such an increase is suppressed by the additives owing to the intermolecular interactions between the lysozyme molecules and the bioprotectants of trehalose and choline acetate. The fractal dimension of lysozyme varies slightly with the addition of the bioprotectant solutions, and shows a remarkable drop in the vicinity of the denaturation temperature for all the solutions.

Nonlinear Waves and Inverse Scattering

DTIC Science & Technology

1990-09-18

to be published Proceedings: conference Chaos in Australia (February 1990). 5. On the Kadomtsev Petviashvili Equation and Associated Constraints by...Scattering Transfoni (IST). IST is a method which alows one to’solve nonlinear wave equations by solving certain related direct and inverse scattering...problems. We use these results to find solutions to nonlinear wave equations much like one uses Fourier analysis for linear problems. Moreover the

The zig-zag walk with scattering and absorption on the real half line and in a lattice model

NASA Astrophysics Data System (ADS)

Wuttke, Joachim

2014-05-01

The Darwin-Hamilton equations, describing one-dimensional transport with scattering and absorption, are expanded into a recursion. The solution involves ballot numbers. The recurrence probability as function of scattering order is given by Catalan numbers. To reproduce this analytical result in a lattice model, a novel relation between Narayana and Catalan numbers is derived.

Source of coherent short wavelength radiation

DOEpatents

Villa, Francesco

1990-01-01

An apparatus for producing coherent radiation ranging from X-rays to the far ultraviolet (i.e., 1 Kev to 10 eV) utilizing the Compton scattering effect. A photon beam from a laser is scattered on a high energy electron bunch from a pulse power linac. The short wavelength radiation produced by such scattering has sufficient intensity and spatial coherence for use in high resolution applications such as microscopy.

Least-squares collocation meshless approach for radiative heat transfer in absorbing and scattering media

NASA Astrophysics Data System (ADS)

Liu, L. H.; Tan, J. Y.

2007-02-01

A least-squares collocation meshless method is employed for solving the radiative heat transfer in absorbing, emitting and scattering media. The least-squares collocation meshless method for radiative transfer is based on the discrete ordinates equation. A moving least-squares approximation is applied to construct the trial functions. Except for the collocation points which are used to construct the trial functions, a number of auxiliary points are also adopted to form the total residuals of the problem. The least-squares technique is used to obtain the solution of the problem by minimizing the summation of residuals of all collocation and auxiliary points. Three numerical examples are studied to illustrate the performance of this new solution method. The numerical results are compared with the other benchmark approximate solutions. By comparison, the results show that the least-squares collocation meshless method is efficient, accurate and stable, and can be used for solving the radiative heat transfer in absorbing, emitting and scattering media.

Aggregation study in mixture surfactant system TX-100+SDS in heavy water solutions by SANS method

NASA Astrophysics Data System (ADS)

Rajewska, A.; Islamov, A. Kh.; Bakeeva, R. F.

2018-03-01

The mixing of amphiphiles in water may lead to the formation of mixed micelles which often present new properties with respect to the pure component solutions [1,2]. The mixture system of classic surfactants SDS (sodium dodecyl sulfate)+TX-100(p-(1,1,3,3- tetramethyl) poly(oxyethylene) (anionic + non-ionic) in heavy water solutions was investigated at temperatures 30°, 50°, 70°C for compositions 1:1, 2:1, 3:1 by the small-angle neutron scattering(SANS) method on spectrometer (‘YuMO’) at the IBR-2 pulsed neutron source at FLNP, JINR in Dubna (Russia). Measurements have covered Q range from 8x10-3 to 0.4 Å-1. From the measured dependence of the scattered intensity on the scattering angle, we derived the size, shape of micelles, aggregation number at various compositions and temperatures. The size of mixed micelle is a weak function of the mixing ratio between the two components.

Multiple scattering in planetary regoliths using first-order incoherent interactions

NASA Astrophysics Data System (ADS)

Muinonen, Karri; Markkanen, Johannes; Väisänen, Timo; Penttilä, Antti

2017-10-01

We consider scattering of light by a planetary regolith modeled using discrete random media of spherical particles. The size of the random medium can range from microscopic sizes of a few wavelengths to macroscopic sizes approaching infinity. The size of the particles is assumed to be of the order of the wavelength. We extend the numerical Monte Carlo method of radiative transfer and coherent backscattering (RT-CB) to the case of dense packing of particles. We adopt the ensemble-averaged first-order incoherent extinction, scattering, and absorption characteristics of a volume element of particles as input for the RT-CB. The volume element must be larger than the wavelength but smaller than the mean free path length of incoherent extinction. In the radiative transfer part, at each absorption and scattering process, we account for absorption with the help of the single-scattering albedo and peel off the Stokes parameters of radiation emerging from the medium in predefined scattering angles. We then generate a new scattering direction using the joint probability density for the local polar and azimuthal scattering angles. In the coherent backscattering part, we utilize amplitude scattering matrices along the radiative-transfer path and the reciprocal path, and utilize the reciprocity of electromagnetic waves to verify the computation. We illustrate the incoherent volume-element scattering characteristics and compare the dense-medium RT-CB to asymptotically exact results computed using the Superposition T-matrix method (STMM). We show that the dense-medium RT-CB compares favorably to the STMM results for the current cases of sparse and dense discrete random media studied. The novel method can be applied in modeling light scattering by the surfaces of asteroids and other airless solar system objects, including UV-Vis-NIR spectroscopy, photometry, polarimetry, and radar scattering problems.Acknowledgments. Research supported by European Research Council with Advanced Grant No. 320773 SAEMPL, Scattering and Absorption of ElectroMagnetic waves in ParticuLate media. Computational resources provided by CSC - IT Centre for Science Ltd, Finland.

Burton-Miller-type singular boundary method for acoustic radiation and scattering

NASA Astrophysics Data System (ADS)

Fu, Zhuo-Jia; Chen, Wen; Gu, Yan

2014-08-01

This paper proposes the singular boundary method (SBM) in conjunction with Burton and Miller's formulation for acoustic radiation and scattering. The SBM is a strong-form collocation boundary discretization technique using the singular fundamental solutions, which is mathematically simple, easy-to-program, meshless and introduces the concept of source intensity factors (SIFs) to eliminate the singularities of the fundamental solutions. Therefore, it avoids singular numerical integrals in the boundary element method (BEM) and circumvents the troublesome placement of the fictitious boundary in the method of fundamental solutions (MFS). In the present method, we derive the SIFs of exterior Helmholtz equation by means of the SIFs of exterior Laplace equation owing to the same order of singularities between the Laplace and Helmholtz fundamental solutions. In conjunction with the Burton-Miller formulation, the SBM enhances the quality of the solution, particularly in the vicinity of the corresponding interior eigenfrequencies. Numerical illustrations demonstrate efficiency and accuracy of the present scheme on some benchmark examples under 2D and 3D unbounded domains in comparison with the analytical solutions, the boundary element solutions and Dirichlet-to-Neumann finite element solutions.

Analytical study of the effects of clouds on the light produced by lightning

NASA Technical Reports Server (NTRS)

Phanord, Dieudonne D.

1990-01-01

Researchers consider the scattering of visible and infrared light due to lightning by cubic, cylindrical and spherical clouds. The researchers extend to cloud physics the work by Twersky for single and multiple scattering of electromagnetic waves. They solve the interior problem separately to obtain the bulk parameters for the scatterer equivalent to the ensemble of spherical droplets. With the interior solution or the equivalent medium approach, the multiple scattering problem is reduced to that of a single scatterer in isolation. Hence, the computing methods of Wiscombe or Bohren specialized to Mie scattering with the possibility for absorption were used to generate numerical results in short computer time.

Acoustic backscattering and radiation force on a rigid elliptical cylinder in plane progressive waves.

PubMed

Mitri, F G

2016-03-01

This work proposes a formal analytical theory using the partial-wave series expansion (PWSE) method in cylindrical coordinates, to calculate the acoustic backscattering form function as well as the radiation force-per-length on an infinitely long elliptical (non-circular) cylinder in plane progressive waves. The major (or minor) semi-axis of the ellipse coincides with the direction of the incident waves. The scattering coefficients for the rigid elliptical cylinder are determined by imposing the Neumann boundary condition for an immovable surface and solving a resulting system of linear equations by matrix inversion. The present method, which utilizes standard cylindrical (Bessel and Hankel) wave functions, presents an advantage over the solution for the scattering that is ordinarily expressed in a basis of elliptical Mathieu functions (which are generally non-orthogonal). Furthermore, an integral equation showing the direct connection of the radiation force function with the square of the scattering form function in the far-field from the scatterer (applicable for plane waves only), is noted and discussed. An important application of this integral equation is the adequate evaluation of the radiation force function from a bistatic measurement (i.e., in the polar plane) of the far-field scattering from any 2D object of arbitrary shape. Numerical predictions are evaluated for the acoustic backscattering form function and the radiation force function, which is the radiation force per unit length, per characteristic energy density, and per unit cross-sectional surface of the ellipse, with particular emphasis on the aspect ratio a/b, where a and b are the semi-axes, as well as the dimensionless size parameter kb, without the restriction to a particular range of frequencies. The results are particularly relevant in acoustic levitation, acousto-fluidics and particle dynamics applications. Copyright © 2015 Elsevier B.V. All rights reserved.

Analytical optical scattering in clouds

NASA Technical Reports Server (NTRS)

Phanord, Dieudonne D.

1989-01-01

An analytical optical model for scattering of light due to lightning by clouds of different geometry is being developed. The self-consistent approach and the equivalent medium concept of Twersky was used to treat the case corresponding to outside illumination. Thus, the resulting multiple scattering problem is transformed with the knowledge of the bulk parameters, into scattering by a single obstacle in isolation. Based on the size parameter of a typical water droplet as compared to the incident wave length, the problem for the single scatterer equivalent to the distribution of cloud particles can be solved either by Mie or Rayleigh scattering theory. The super computing code of Wiscombe can be used immediately to produce results that can be compared to the Monte Carlo computer simulation for outside incidence. A fairly reasonable inverse approach using the solution of the outside illumination case was proposed to model analytically the situation for point sources located inside the thick optical cloud. Its mathematical details are still being investigated. When finished, it will provide scientists an enhanced capability to study more realistic clouds. For testing purposes, the direct approach to the inside illumination of clouds by lightning is under consideration. Presently, an analytical solution for the cubic cloud will soon be obtained. For cylindrical or spherical clouds, preliminary results are needed for scattering by bounded obstacles above or below a penetrable surface interface.

Levels of detail analysis of microwave scattering from human head models for brain stroke detection

PubMed Central

2017-01-01

In this paper, we have presented a microwave scattering analysis from multiple human head models. This study incorporates different levels of detail in the human head models and its effect on microwave scattering phenomenon. Two levels of detail are taken into account; (i) Simplified ellipse shaped head model (ii) Anatomically realistic head model, implemented using 2-D geometry. In addition, heterogenic and frequency-dispersive behavior of the brain tissues has also been incorporated in our head models. It is identified during this study that the microwave scattering phenomenon changes significantly once the complexity of head model is increased by incorporating more details using magnetic resonance imaging database. It is also found out that the microwave scattering results match in both types of head model (i.e., geometrically simple and anatomically realistic), once the measurements are made in the structurally simplified regions. However, the results diverge considerably in the complex areas of brain due to the arbitrary shape interface of tissue layers in the anatomically realistic head model. After incorporating various levels of detail, the solution of subject microwave scattering problem and the measurement of transmitted and backscattered signals were obtained using finite element method. Mesh convergence analysis was also performed to achieve error free results with a minimum number of mesh elements and a lesser degree of freedom in the fast computational time. The results were promising and the E-Field values converged for both simple and complex geometrical models. However, the E-Field difference between both types of head model at the same reference point differentiated a lot in terms of magnitude. At complex location, a high difference value of 0.04236 V/m was measured compared to the simple location, where it turned out to be 0.00197 V/m. This study also contributes to provide a comparison analysis between the direct and iterative solvers so as to find out the solution of subject microwave scattering problem in a minimum computational time along with memory resources requirement. It is seen from this study that the microwave imaging may effectively be utilized for the detection, localization and differentiation of different types of brain stroke. The simulation results verified that the microwave imaging can be efficiently exploited to study the significant contrast between electric field values of the normal and abnormal brain tissues for the investigation of brain anomalies. In the end, a specific absorption rate analysis was carried out to compare the ionizing effects of microwave signals to different types of head model using a factor of safety for brain tissues. It is also suggested after careful study of various inversion methods in practice for microwave head imaging, that the contrast source inversion method may be more suitable and computationally efficient for such problems. PMID:29177115

Self-interacting inelastic dark matter: a viable solution to the small scale structure problems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blennow, Mattias; Clementz, Stefan; Herrero-Garcia, Juan, E-mail: emb@kth.se, E-mail: scl@kth.se, E-mail: juan.herrero-garcia@adelaide.edu.au

2017-03-01

Self-interacting dark matter has been proposed as a solution to the small-scale structure problems, such as the observed flat cores in dwarf and low surface brightness galaxies. If scattering takes place through light mediators, the scattering cross section relevant to solve these problems may fall into the non-perturbative regime leading to a non-trivial velocity dependence, which allows compatibility with limits stemming from cluster-size objects. However, these models are strongly constrained by different observations, in particular from the requirements that the decay of the light mediator is sufficiently rapid (before Big Bang Nucleosynthesis) and from direct detection. A natural solution tomore » reconcile both requirements are inelastic endothermic interactions, such that scatterings in direct detection experiments are suppressed or even kinematically forbidden if the mass splitting between the two-states is sufficiently large. Using an exact solution when numerically solving the Schrödinger equation, we study such scenarios and find regions in the parameter space of dark matter and mediator masses, and the mass splitting of the states, where the small scale structure problems can be solved, the dark matter has the correct relic abundance and direct detection limits can be evaded.« less

A method of measuring gold nanoparticle concentrations by x-ray fluorescence for biomedical applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu Di; Li Yuhua; Wong, Molly D.

Purpose: This paper reports a technique that enables the quantitative determination of the concentration of gold nanoparticles (GNPs) through the accurate detection of their fluorescence radiation in the diagnostic x-ray spectrum. Methods: Experimentally, x-ray fluorescence spectra of 1.9 and 15 nm GNP solutions are measured using an x-ray spectrometer, individually and within chicken breast tissue samples. An optimal combination of excitation and emission filters is determined to segregate the fluorescence spectra at 66.99 and 68.80 keV from the background scattering. A roadmap method is developed that subtracts the scattered radiation (acquired before the insertion of GNP solutions) from the signalmore » radiation acquired after the GNP solutions are inserted. Results: The methods effectively minimize the background scattering in the spectrum measurements, showing linear relationships between GNP solutions from 0.1% to 10% weight concentration and from 0.1% to 1.0% weight concentration inside a chicken breast tissue sample. Conclusions: The investigation demonstrated the potential of imaging gold nanoparticles quantitatively in vivo for in-tissue studies, but future studies will be needed to investigate the ability to apply this method to clinical applications.« less

Assessment of polarization effect on aerosol retrievals from MODIS

NASA Astrophysics Data System (ADS)

Korkin, S.; Lyapustin, A.

2010-12-01

Light polarization affects the total intensity of scattered radiation. In this work, we compare aerosol retrievals performed by code MAIAC [1] with and without taking polarization into account. The MAIAC retrievals are based on the look-up tables (LUT). For this work, MAIAC was run using two different LUTs, the first one generated using the scalar code SHARM [2], and the second one generated with the vector code Modified Vector Discrete Ordinates Method (MVDOM). MVDOM is a new code suitable for computations with highly anisotropic phase functions, including cirrus clouds and snow [3]. To this end, the solution of the vector radiative transfer equation (VRTE) is represented as a sum of anisotropic and regular components. The anisotropic component is evaluated in the Small Angle Modification of the Spherical Harmonics Method (MSH) [4]. The MSH is formulated in the frame of reference of the solar beam where z-axis lies along the solar beam direction. In this case, the MSH solution for anisotropic part is nearly symmetric in azimuth, and is computed analytically. In scalar case, this solution coincides with the Goudsmit-Saunderson small-angle approximation [5]. To correct for an analytical separation of the anisotropic part of the signal, the transfer equation for the regular part contains a correction source function term [6]. Several examples of polarization impact on aerosol retrievals over different surface types will be presented. 1. Lyapustin A., Wang Y., Laszlo I., Kahn R., Korkin S., Remer L., Levy R., and Reid J. S. Multi-Angle Implementation of Atmospheric Correction (MAIAC): Part 2. Aerosol Algorithm. J. Geophys. Res., submitted (2010). 2. Lyapustin A., Muldashev T., Wang Y. Code SHARM: fast and accurate radiative transfer over spatially variable anisotropic surfaces. In: Light Scattering Reviews 5. Chichester: Springer, 205 - 247 (2010). 3. Budak, V.P., Korkin S.V. On the solution of a vectorial radiative transfer equation in an arbitrary three-dimensional turbid medium with anisotropic scattering. JQSRT, 109, 220-234 (2008). 4. Budak V.P., Sarmin S.E. Solution of radiative transfer equation by the method of spherical harmonics in the small angle modification. Atmospheric and Oceanic Optics, 3, 898-903 (1990). 5. Goudsmit S., Saunderson J.L. Multiple scattering of electrons. Phys. Rev., 57, 24-29 (1940). 6. Budak V.P, Klyuykov D.A., Korkin S.V. Convergence acceleration of radiative transfer equation solution at strongly anisotropic scattering. In: Light Scattering Reviews 5. Chichester: Springer, 147 - 204 (2010).

Inverse scattering transform for the time dependent Schrödinger equation with applications to the KPI equation

NASA Astrophysics Data System (ADS)

Zhou, Xin

1990-03-01

For the direct-inverse scattering transform of the time dependent Schrödinger equation, rigorous results are obtained based on an opertor-triangular-factorization approach. By viewing the equation as a first order operator equation, similar results as for the first order n x n matrix system are obtained. The nonlocal Riemann-Hilbert problem for inverse scattering is shown to have solution.

Solution of electromagnetic scattering problems using time domain techniques

NASA Technical Reports Server (NTRS)

Britt, Charles L.

1989-01-01

New methods are developed to calculate the electromagnetic diffraction or scattering characteristics of objects of arbitrary material and shape. The methods extend the efforts of previous researchers in the use of finite-difference and pulse response techniques. Examples are given of the scattering from infinite conducting and nonconducting cylinders, open channel, sphere, cone, cone sphere, coated disk, open boxes, and open and closed finite cylinders with axially incident waves.

Multiple scattering corrections to the Beer-Lambert law. 1: Open detector.

PubMed

Tam, W G; Zardecki, A

1982-07-01

Multiple scattering corrections to the Beer-Lambert law are analyzed by means of a rigorous small-angle solution to the radiative transfer equation. Transmission functions for predicting the received radiant power-a directly measured quantity in contrast to the spectral radiance in the Beer-Lambert law-are derived. Numerical algorithms and results relating to the multiple scattering effects for laser propagation in fog, cloud, and rain are presented.

Scattering of sound waves by a compressible vortex

NASA Technical Reports Server (NTRS)

Colonius, Tim; Lele, Sanjiva K.; Moin, Parviz

1991-01-01

Scattering of plane sound waves by a compressible vortex is investigated by direct computation of the two-dimensional Navier-Stokes equations. Nonreflecting boundary conditions are utilized, and their accuracy is established by comparing results on different sized domains. Scattered waves are directly measured from the computations. The resulting amplitude and directivity pattern of the scattered waves is discussed, and compared to various theoretical predictions. For compact vortices (zero circulation), the scattered waves directly computed are in good agreement with predictions based on an acoustic analogy. Strong scattering at about + or - 30 degrees from the direction of incident wave propagation is observed. Back scattering is an order of magnitude smaller than forward scattering. For vortices with finite circulation refraction of the sound by the mean flow field outside the vortex core is found to be important in determining the amplitude and directivity of the scattered wave field.

Self-aggregation of bio-surfactants within ionic liquid 1-ethyl-3-methylimidazolium bromide: A comparative study and potential application in antidepressants drug aggregation.

PubMed

Banjare, Manoj Kumar; Behera, Kamalakanta; Kurrey, Ramsingh; Banjare, Ramesh Kumar; Satnami, Manmohan L; Pandey, Siddharth; Ghosh, Kallol K

2018-06-15

Aggregation behavior of bio-surfactants (BS) sodium cholate (NaC) and sodium deoxycholate (NaDC) within aqueous solution of ionic liquid (IL) 1-ethyl-3-methylimidazolium bromide [Emim][Br] has been investigated using surface tension, conductivity, steady state fluorescence, FT-IR and dynamic light scattering (DLS) techniques. Various interfacial and thermodynamic parameters are determined in the presence of different wt% of IL [Emim][Br]. Information regarding the local microenvironment and size of the aggregates is obtained from fluorescence and DLS, respectively. FT-IR spectral response is used to reveal the interactions taking place within aqueous NaC/NaDC micellar solutions. It is noteworthy to mention that increasing wt% of [Emim][Br] results in an increase in the spontaneity of micelle formation and the hydrophilic IL shows more affinity for NaC as compared to NaDC. Further, the micellar solutions of BS-[Emim][Br] are utilized for studying the aggregation of antidepressants drug promazine hydrochloride (pH). UV-vis spectroscopic investigation reveals interesting outcomes and the results show changes in spectral absorbance of PH drug on the addition of micellar solution (BS-[Emim][Br]). Highest binding affinity and most promising activity are shown for NaC as compared to NaDC. Copyright © 2018 Elsevier B.V. All rights reserved.

Interpretation of solution scattering data from lipid nanodiscs

DOE PAGES

Graziano, Vito; Miller, Lisa; Yang, Lin

2018-02-01

The structural information contained in solution scattering data from empty lipid nanodiscs is examined in the context of a multi-component geometric model. X-ray scattering data were collected on nanodiscs of different compositions at scattering vector magnitudes up to 2.0 Å −1 . Through the calculation of the partial form factor for each of the nanodisc components before the isotropic average, structural parameters in the model were correlated to the features observed in the X-ray scattering data and to the corresponding distance distribution function. It is shown that, in general, the features at ∼0.3–0.6 Å −1 in the scattering data correlate to themore » bilayer structure. The data also support the argument that the elliptical shape of nanodiscs found in model fitting is physical, rather than an artefact due to the nanodisc size distribution. The lipid chain packing peak at ∼1.5 Å −1 is visible in the data and reflects the lipid bilayer phase transition. The shape change in the distance distribution function across the phase transition suggests that the nanodiscs are more circular in the fluid phase. The implication of these findings for model fitting of empty and protein-loaded nanodiscs is discussed.« less

The Effects of Sand Sediment Volume Heterogeneities on Sound Propagation and Scattering

DTIC Science & Technology

2011-09-01

previously developed at APL- UW for the study of high-frequency acoustics . These models include perturbation models applied to scattering from the...shell shapes (Figure 1). The acoustic modeling to this point has utilized Ivakin’s unified approach to volume and roughness scattering [3...sediments: A modeling approach and application to a shelly sand-mud environment,” in the Proceeding of the European Conference on Underwater Acoustics

Low-energy electron scattering from CO. 2: Ab-initio study using the frame-transformation theory

NASA Technical Reports Server (NTRS)

Chandra, N.

1976-01-01

The Wigner-Eisenbud R matrix method has been combined with the frame transformation theory to study electron scattering from molecular systems. The R matrix, calculated at the boundary point of the molecular core radius, has been transformed to the space frame in order to continue the solution of the scattering equations in the outer region where rotational motion of the nuclei is taken into account. This procedure has been applied to a model calculation of thermal energy electron scattering from CO.

A fixed energy fixed angle inverse scattering in interior transmission problem

NASA Astrophysics Data System (ADS)

Chen, Lung-Hui

2017-06-01

We study the inverse acoustic scattering problem in mathematical physics. The problem is to recover the index of refraction in an inhomogeneous medium by measuring the scattered wave fields in the far field. We transform the problem to the interior transmission problem in the study of the Helmholtz equation. We find an inverse uniqueness on the scatterer with a knowledge of a fixed interior transmission eigenvalue. By examining the solution in a series of spherical harmonics in the far field, we can determine uniquely the perturbation source for the radially symmetric perturbations.

Light scattering from an atomic gas under conditions of quantum degeneracy

NASA Astrophysics Data System (ADS)

Porozova, V. M.; Gerasimov, L. V.; Havey, M. D.; Kupriyanov, D. V.

2018-05-01

Elastic light scattering from a macroscopic atomic sample existing in the Bose-Einstein condensate phase reveals a unique physical configuration of interacting light and matter waves. However, the joint coherent dynamics of the optical excitation induced by an incident photon is influenced by the presence of incoherent scattering channels. For a sample of sufficient length the excitation transports as a polariton wave and the propagation Green's function obeys the scattering equation which we derive. The polariton dynamics could be tracked in the outgoing channel of the scattered photon as we show via numerical solution of the scattering equation for one-dimensional geometry. The results are analyzed and compared with predictions of the conventional macroscopic Maxwell theory for light scattering from a nondegenerate atomic sample of the same density and size.

An integral-equation solution for TE radiation and scattering from conducting cylinders

NASA Technical Reports Server (NTRS)

Richmond, J. H.

1973-01-01

The piecewise-sinusoidal reaction technique is applied to low frequency radiation and scattering from noncircular cylinders with perfect or imperfect conductivity. This report presents the theory, computer programs and numerical results for these two-dimensional problems with the TE polarization.

Gaussian basis functions for highly oscillatory scattering wavefunctions

NASA Astrophysics Data System (ADS)

Mant, B. P.; Law, M. M.

2018-04-01

We have applied a basis set of distributed Gaussian functions within the S-matrix version of the Kohn variational method to scattering problems involving deep potential energy wells. The Gaussian positions and widths are tailored to the potential using the procedure of Bačić and Light (1986 J. Chem. Phys. 85 4594) which has previously been applied to bound-state problems. The placement procedure is shown to be very efficient and gives scattering wavefunctions and observables in agreement with direct numerical solutions. We demonstrate the basis function placement method with applications to hydrogen atom–hydrogen atom scattering and antihydrogen atom–hydrogen atom scattering.

Scattering theory for the radial H˙1/2-critical wave equation with a cubic convolution

NASA Astrophysics Data System (ADS)

Miao, Changxing; Zhang, Junyong; Zheng, Jiqiang

2015-12-01

In this paper, we study the global well-posedness and scattering for the wave equation with a cubic convolution ∂t2u - Δu = ± (| x | - 3 *| u | 2) u in dimensions d ≥ 4. We prove that if the radial solution u with life-span I obeys (u ,ut) ∈ Lt∞ (I H˙x 1 / 2 (Rd) × H˙x-1/2 (Rd)), then u is global and scatters. By the strategy derived from concentration compactness, we show that the proof of the global well-posedness and scattering is reduced to disprove the existence of two scenarios: soliton-like solution and high to low frequency cascade. Making use of the No-waste Duhamel formula and double Duhamel trick, we deduce that these two scenarios enjoy the additional regularity by the bootstrap argument of [7]. This together with virial analysis implies the energy of such two scenarios is zero and so we get a contradiction.

Designing Mixed Detergent Micelles for Uniform Neutron Contrast

DOE PAGES

Oliver, Ryan C.; Pingali, Sai Venkatesh; Urban, Volker S.

2017-09-29

Micelle-forming detergents provide an amphipathic environment that mimics lipid bilayers and are important tools used to solubilize and stabilize membrane proteins in solution for in vitro structural investigations. Small-angle neutron scattering (SANS) performed at the neutron contrast match point of detergent molecules allows observing the scattering signal from membrane proteins unobstructed by contributions from the detergent. However, we show here that even for a perfectly average-contrast matched detergent there arises significant core-shell scattering from the contrast difference between aliphatic detergent tails and hydrophilic head groups. This residual signal at the average detergent contrast match point interferes with interpreting structural datamore » of membrane proteins. This complication is often made worse by the presence of excess empty (protein-free) micelles. Here, we present an approach for the rational design of mixed micelles containing a deuterated detergent analog, which eliminates neutron contrast between core and shell, and allows the micelle scattering to be fully contrast matched to unambiguously resolve membrane protein structure using solution SANS.« less

Microinhomogeneities of glasses of the system PbO-SiO2

NASA Astrophysics Data System (ADS)

Golubkov, V. V.; Bogdanov, V. N.; Pakhnin, A. Ya.; Solovyev, V. A.; Zhivaeva, E. V.; Kabanov, V. O.; Yanush, O. V.; Nemilov, S. V.; Kisliuk, A.; Soltwisch, M.; Quitmann, D.

1999-03-01

Small angle x-ray scattering (SAXS) and Rayleigh-Mandelstam-Brillouin (RMB) light scattering as well as ultrasonic sound velocities have been studied in glasses of the system PbO-SiO2 which has an unusually wide range of glass forming ability. The results of scattering are compared with calculations based on the concept of frozen-in equilibrium thermal fluctuations as the origin of static microinhomogeneities (MIH) in glasses. MIH of compositions seem to be the main source of scattering, and the calculations are found to be in qualitative agreement with both SAXS and RMB measurements. Glasses with PbO content above 40 mol.% are more homogeneous than ideal solutions of PbO and SiO2 whereas MIH in glasses with smaller PbO content are comparable with those expected for ideal solutions of PbO and SiO2. In the latter range SAXS measurements indicate the existence of medium-range order with correlation length of 5-7 Å.

Designing Mixed Detergent Micelles for Uniform Neutron Contrast

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oliver, Ryan C.; Pingali, Sai Venkatesh; Urban, Volker S.

Micelle-forming detergents provide an amphipathic environment that mimics lipid bilayers and are important tools used to solubilize and stabilize membrane proteins in solution for in vitro structural investigations. Small-angle neutron scattering (SANS) performed at the neutron contrast match point of detergent molecules allows observing the scattering signal from membrane proteins unobstructed by contributions from the detergent. However, we show here that even for a perfectly average-contrast matched detergent there arises significant core-shell scattering from the contrast difference between aliphatic detergent tails and hydrophilic head groups. This residual signal at the average detergent contrast match point interferes with interpreting structural datamore » of membrane proteins. This complication is often made worse by the presence of excess empty (protein-free) micelles. Here, we present an approach for the rational design of mixed micelles containing a deuterated detergent analog, which eliminates neutron contrast between core and shell, and allows the micelle scattering to be fully contrast matched to unambiguously resolve membrane protein structure using solution SANS.« less

Practical technique to quantify small, dense low-density lipoprotein cholesterol using dynamic light scattering

NASA Astrophysics Data System (ADS)

Trirongjitmoah, Suchin; Iinaga, Kazuya; Sakurai, Toshihiro; Chiba, Hitoshi; Sriyudthsak, Mana; Shimizu, Koichi

2016-04-01

Quantification of small, dense low-density lipoprotein (sdLDL) cholesterol is clinically significant. We propose a practical technique to estimate the amount of sdLDL cholesterol using dynamic light scattering (DLS). An analytical solution in a closed form has newly been obtained to estimate the weight fraction of one species of scatterers in the DLS measurement of two species of scatterers. Using this solution, we can quantify the sdLDL cholesterol amount from the amounts of the low-density lipoprotein cholesterol and the high-density lipoprotein (HDL) cholesterol, which are commonly obtained through clinical tests. The accuracy of the proposed technique was confirmed experimentally using latex spheres with known size distributions. The applicability of the proposed technique was examined using samples of human blood serum. The possibility of estimating the sdLDL amount using the HDL data was demonstrated. These results suggest that the quantitative estimation of sdLDL amounts using DLS is feasible for point-of-care testing in clinical practice.

A mesh-free approach to acoustic scattering from multiple spheres nested inside a large sphere by using diagonal translation operators.

PubMed

Hesford, Andrew J; Astheimer, Jeffrey P; Greengard, Leslie F; Waag, Robert C

2010-02-01

A multiple-scattering approach is presented to compute the solution of the Helmholtz equation when a number of spherical scatterers are nested in the interior of an acoustically large enclosing sphere. The solution is represented in terms of partial-wave expansions, and a linear system of equations is derived to enforce continuity of pressure and normal particle velocity across all material interfaces. This approach yields high-order accuracy and avoids some of the difficulties encountered when using integral equations that apply to surfaces of arbitrary shape. Calculations are accelerated by using diagonal translation operators to compute the interactions between spheres when the operators are numerically stable. Numerical results are presented to demonstrate the accuracy and efficiency of the method.

Diffusing wave spectroscopy studies of gelling systems

NASA Astrophysics Data System (ADS)

Horne, David S.

1991-06-01

The recognition that the transmission of light through a concentrated, opaque system can be treated as a diffusion process has extended the application of photon correlation techniques to the study of particle size, mobility and interactions in such systems. Solutions of the photon diffusion equation are sensitive to the boundary conditions imposed by the geometry of the scattering apparatus. The apparatus, incorporating a bifurcated fiber optic bundle for light transmission between source, sample and detector, takes advantage of the particularly simple solution for a back-scattering configuration. Its ability to measure particle size using monodisperse polystyrene latices and to respond to concentration dependent particle interactions in a study of casein micelle mobility in skim and concentrated milks is demonstrated. Finally, the changes in dynamic light scattering behavior occurring during colloidal gel formation are described and discussed.

A mesh-free approach to acoustic scattering from multiple spheres nested inside a large sphere by using diagonal translation operators

PubMed Central

Hesford, Andrew J.; Astheimer, Jeffrey P.; Greengard, Leslie F.; Waag, Robert C.

2010-01-01

A multiple-scattering approach is presented to compute the solution of the Helmholtz equation when a number of spherical scatterers are nested in the interior of an acoustically large enclosing sphere. The solution is represented in terms of partial-wave expansions, and a linear system of equations is derived to enforce continuity of pressure and normal particle velocity across all material interfaces. This approach yields high-order accuracy and avoids some of the difficulties encountered when using integral equations that apply to surfaces of arbitrary shape. Calculations are accelerated by using diagonal translation operators to compute the interactions between spheres when the operators are numerically stable. Numerical results are presented to demonstrate the accuracy and efficiency of the method. PMID:20136208

Direct Observation of Insulin Association Dynamics with Time-Resolved X-ray Scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rimmerman, Dolev; Leshchev, Denis; Hsu, Darren J.

Biological functions frequently require protein-protein interactions that involve secondary and tertiary structural perturbation. Here we study protein-protein dissociation and reassociation dynamics in insulin, a model system for protein oligomerization. Insulin dimer dissociation into monomers was induced by a nanosecond temperature-jump (T-jump) of ~8 °C in aqueous solution, and the resulting protein and solvent dynamics were tracked by time-resolved X-ray solution scattering (TRXSS) on time scales of 10 ns to 100 ms. The protein scattering signals revealed the formation of five distinguishable transient species during the association process that deviate from simple two state kinetics. Our results show that the combinationmore » of T-jump pump coupled to TRXSS probe allows for direct tracking of structural dynamics in nonphotoactive proteins.« less

Method and apparatus for fiber optic multiple scattering suppression

NASA Technical Reports Server (NTRS)

Ackerson, Bruce J. (Inventor)

2000-01-01

The instant invention provides a method and apparatus for use in laser induced dynamic light scattering which attenuates the multiple scattering component in favor of the single scattering component. The preferred apparatus utilizes two light detectors that are spatially and/or angularly separated and which simultaneously record the speckle pattern from a single sample. The recorded patterns from the two detectors are then cross correlated in time to produce one point on a composite single/multiple scattering function curve. By collecting and analyzing cross correlation measurements that have been taken at a plurality of different spatial/angular positions, the signal representative of single scattering may be differentiated from the signal representative of multiple scattering, and a near optimum detector separation angle for use in taking future measurements may be determined.

FAST TRACK COMMUNICATION Time-dependent exact solutions of the nonlinear Kompaneets equation

NASA Astrophysics Data System (ADS)

Ibragimov, N. H.

2010-12-01

Time-dependent exact solutions of the Kompaneets photon diffusion equation are obtained for several approximations of this equation. One of the approximations describes the case when the induced scattering is dominant. In this case, the Kompaneets equation has an additional symmetry which is used for constructing some exact solutions as group invariant solutions.

Reversal of photon-scattering errors in atomic qubits.

PubMed

Akerman, N; Kotler, S; Glickman, Y; Ozeri, R

2012-09-07

Spontaneous photon scattering by an atomic qubit is a notable example of environment-induced error and is a fundamental limit to the fidelity of quantum operations. In the scattering process, the qubit loses its distinctive and coherent character owing to its entanglement with the photon. Using a single trapped ion, we show that by utilizing the information carried by the photon, we are able to coherently reverse this process and correct for the scattering error. We further used quantum process tomography to characterize the photon-scattering error and its correction scheme and demonstrate a correction fidelity greater than 85% whenever a photon was measured.

Interior radiances in optically deep absorbing media. I - Exact solutions for one-dimensional model.

NASA Technical Reports Server (NTRS)

Kattawar, G. W.; Plass, G. N.

1973-01-01

An exact analytic solution to the one-dimensional scattering problem with arbitrary single scattering albedo and arbitrary surface albedo is presented. Expressions are given for the emergent flux from a homogeneous layer, the internal flux within the layer, and the radiative heating. A comparison of these results with the values calculated from the matrix operator theory indicates an exceedingly high accuracy. A detailed study is made of the error in the matrix operator results and its dependence on the accuracy of the starting value.

Scattering of Dirac waves off Kerr black holes

NASA Astrophysics Data System (ADS)

Chakrabarti, Sandip K.; Mukhopadhyay, Banibrata

2000-10-01

Chandrasekhar separated the Dirac equation for spinning and massive particles in Kerr geometry into radial and angular parts. Here we solve the complete wave equation and find out how the Dirac wave scatters off Kerr black holes. The eigenfunctions, eigenvalues and reflection and transmission co-efficients are computed. We compare the solutions with several parameters to show how a spinning black hole recognizes the mass and energy of incoming waves. Very close to the horizon the solutions become independent of the particle parameters, indicating the universality of the behaviour.

Diffusive properties of Vitamin C aqueous solutions by quasielastic neutron scattering

NASA Astrophysics Data System (ADS)

Migliardo, F.; Magazù, S.; Migliardo, P.

2001-07-01

Quasi elastic neutron scattering (QENS) results on aqueous solutions of L-ascorbic acid (Vitamin C) are reported. Data, collected by the IRIS spectrometer at the ISIS facility on partially deuterated L-ascorbic acid in D 2O and on hydrogenated L-ascorbic acid in H 2O, allow to characterize the diffusive dynamics of both hydrated Vitamin C and water, revealing that this latter is strongly affected by the presence of L-ascorbic acid and furnishing a hydration number value of ∼5 at T=33°C.

Close woods utilization commonly practiced in Delaware

Treesearch

Wayne G. Banks

1956-01-01

Woods-utilization studies were recently made on randomly selected logging operations scattered throughout Delaware. As would be expected, most of the operations studied were in pine stands in the southern part of the state. They showed that very close utilization of the trees cut was the general rule.

In situ characterization of silver nanoparticle synthesis in maltodextrin supramolecular structures

DOE PAGES

Bell, Nelson S.; Dunphy, Darren R.; Lambert, Timothy N.; ...

2015-06-26

In this study, the use of maltodextrin supramolecular structures (MD SMS) as a reducing agent and colloidal stabilizing agent for the synthesis of Ag nanoparticles (Ag NPs) identified three key points. First, the maltodextrin (MD) solutions are effective in the formation of well-dispersed Ag NPs utilizing alkaline solution conditions, with the resulting Ag NPs ranging in size from 5 to 50 nm diameter. Second, in situ characterization by Raman spectroscopy and small angle X-ray scattering (SAXS) are consistent with initial nucleation of Ag NPs within the MD SMS up to a critical size of ca. 1 nm, followed by amore » transition to more rapid growth by aggregation and fusion between MD SMS, similar to micelle aggregation reactions. Third, the stabilization of larger Ag NPs by adsorbed MD SMS is similar to hemi-micelle stabilization, and monomodal size distributions are proposed to relate to integer surface coverage of the Ag NPs. Conditions were identified for preparing Ag NPs with monomodal distributions centered at 30–35 nm Ag NPs.« less

Long wavelength fluorescence based biosensors for in vivo continuous monitoring of metabolites

NASA Astrophysics Data System (ADS)

Thomas, Joseph; Ambroise, Arounaguiry; Birchfield, Kara; Cai, Wensheng; Sandmann, Christian; Singh, Sarabjit; Weidemaier, Kristin; Pitner, J. Bruce

2006-02-01

The early stage development studies of novel implantable continuous metabolite sensor systems for glucose, lactate and fatty acids are discussed. These sensors utilize non-enzymatic "reagentless" sensor systems based on NIR fluorophore-labeled binding proteins. For in vivo applications, NIR fluorescence based systems (beyond 600 nm) have the added benefit of reduced interference from background scattering, tissue and serum absorption and cell auto-fluorescence. The long wavelength emission facilitates implanted sensor disks to transmit fluorescence to an external reader through wireless connections and the resulting fluorescence signals can be correlated to metabolite concentrations. We have developed a prototype optical system that uses a bifurcated optical fiber to transmit excitation and read emission at the surface of the skin. With this system, fluorescence signals were read over time through animal skin. The changes in glucose concentration were studied using immobilized sensor proteins and were compared to non-immobilized sensors in solution. For sensors in solution, no response delay was observed. For immobilized systems, the fluorescence response showed a delay corresponding to the diffusion time for the metabolite to equilibrate within the sensor.

Characterization of Nanoparticles and Colloids in Aquatic Systems 1. Small Angle Neutron Scattering Investigations of Suwannee River Fulvic Acid Aggregates in Aqueous Solutions

NASA Astrophysics Data System (ADS)

Diallo, Mamadou S.; Glinka, Charles J.; Goddard, William A.; Johnson, James H.

2005-10-01

Fulvic acids (FA) and humic acids (HA) constitute 30-50% of dissolved organic matter in natural aquatic systems. In aqueous solutions, a commonly accepted view is that FA and HA exist as soluble macroligands at low concentration and as supramolecular aggregates at higher concentration. The size, shape and structure of these aggregates are still the subject of ongoing debate in the environmental chemistry literature. In this article, we use small angle neutron scattering (SANS) to assess the effects of solute concentration, solution pH and background electrolyte (NaCl) concentration on the structures of Suwannee River FA (SRFA) aggregates in D2O. The qualitative features of the SANS curves and data analysis are not consistent with the view point that SRFA forms micelle-like aggregates as its concentration in aqueous solution increases. We find that SRFA forms fractal aggregates in D20 with size greater than 242 nm. The SRFA aggregates undergo a significant degree of restructuring in compactness as solution pH, solute concentration and NaCl concentration increase.

Pharmaceutical Perspective on Opalescence and Liquid-Liquid Phase Separation in Protein Solutions.

PubMed

Raut, Ashlesha S; Kalonia, Devendra S

2016-05-02

Opalescence in protein solutions reduces aesthetic appeal of a formulation and can be an indicator of the presence of aggregates or precursor to phase separation in solution signifying reduced product stability. Liquid-liquid phase separation of a protein solution into a protein-rich and a protein-poor phase has been well-documented for globular proteins and recently observed for monoclonal antibody solutions, resulting in physical instability of the formulation. The present review discusses opalescence and liquid-liquid phase separation (LLPS) for therapeutic protein formulations. A brief discussion on theoretical concepts based on thermodynamics, kinetics, and light scattering is presented. This review also discusses theoretical concepts behind intense light scattering in the vicinity of the critical point termed as "critical opalescence". Both opalescence and LLPS are affected by the formulation factors including pH, ionic strength, protein concentration, temperature, and excipients. Literature reports for the effect of these formulation factors on attractive protein-protein interactions in solution as assessed by the second virial coefficient (B2) and the cloud-point temperature (Tcloud) measurements are also presented. The review also highlights pharmaceutical implications of LLPS in protein solutions.

Highly efficient temperature-induced visible light photocatalytic hydrogen production

NASA Astrophysics Data System (ADS)

Han, Bing

Photocatalysis is the acceleration of photoreaction in presence of a photocatalyst. Semiconductor photocatalysis has obtained much attention as a potential solution to the worldwide energy storage due to its promising ability to directly convert solar energy into chemical fuels. This dissertation research mainly employ three approaches to enhance photocatalytic activities, which includes (I) Modifying semiconductor nanomaterials for visible and near-IR light absorption; (II) Synthesis of light-diffuse-reflection-surface of SiO2 substrate to utilize scattered light; and (III) design of a hybrid system that combines light and heat to enhance visible light photocatalytic activity. Those approaches were applied to two systems: (1) hydrogen production from water; (2) carbon dioxide reforming of methane. The activity of noble metals such as platinum were investigated as co-catalysts and cheap earth abundant catalysts as alternatives to reduce cost were also developed. Stability, selectivity, mechanism were investigated. Great enhancement of visible light activity over a series of semiconductors/heterostructures were observed. Such extraordinary performance of artificial photosynthetic hydrogen production system would provide a novel approach for the utilization of solar energy for chemical fuel production.

Kinetics of Electrons from Plasma Discharge in a Latent Track Region Induced by Swift Heavy ION Irradiation

NASA Astrophysics Data System (ADS)

Minárik, Stanislav

2015-08-01

While passing swift heavy ion through a material structure, it produces a region of radiation affected material which is known as a "latent track". Scattering motions of electrons interacting with a swift heavy ion are dominant in the latent track region. These phenomena include the electron impurity and phonon scattering processes modified by the interaction with the ion projectile as well as the Coulomb scattering between two electrons. In this paper, we provide detailed derivation of a 3D Boltzmann scattering equation for the description of the relative scattering motion of such electrons. Phase-space distribution function for this non-equilibrioum system of scattering electrons can be found by the solution of mentioned equation.

Quaternary Structure Heterogeneity of Oligomeric Proteins: A SAXS and SANS Study of the Dissociation Products of Octopus vulgaris Hemocyanin

PubMed Central

Spinozzi, Francesco; Mariani, Paolo; Mičetić, Ivan; Ferrero, Claudio; Pontoni, Diego; Beltramini, Mariano

2012-01-01

Octopus vulgaris hemocyanin shows a particular self-assembling pattern, characterized by a hierarchical organization of monomers. The highest molecular weight aggregate is a decamer, the stability of which in solution depends on several parameters. Different pH values, buffer compositions, H2O/D2O ratios and Hofmeister’s salts result in modifications of the aggregation state of Octopus vulgaris hemocyanin. The new QUAFIT method, recently applied to derive the structure of the decameric and the monomeric assembly from small-angle scattering data, is used here to model the polydisperse system that results from changing the solution conditions. A dataset of small-angle X-rays and neutron scattering curves is analysed by QUAFIT to derive structure, composition and concentration of different assemblies present in solution. According to the hierarchy of the association/dissociation processes and the possible number of different aggregation products in solution, each sample has been considered as a heterogeneous mixture composed of the entire decamer, the dissociated “loose” monomer and all the intermediate dissociation products. Scattering curves corresponding to given experimental conditions are well fitted by using a linear combination of single particle form factors. QUAFIT has proved to be a method of general validity to describe solutions of proteins that, even after purification processes, result to be intrinsically heterogeneous. PMID:23166737

Acuros CTS: A fast, linear Boltzmann transport equation solver for computed tomography scatter - Part I: Core algorithms and validation.

PubMed

Maslowski, Alexander; Wang, Adam; Sun, Mingshan; Wareing, Todd; Davis, Ian; Star-Lack, Josh

2018-05-01

To describe Acuros ® CTS, a new software tool for rapidly and accurately estimating scatter in x-ray projection images by deterministically solving the linear Boltzmann transport equation (LBTE). The LBTE describes the behavior of particles as they interact with an object across spatial, energy, and directional (propagation) domains. Acuros CTS deterministically solves the LBTE by modeling photon transport associated with an x-ray projection in three main steps: (a) Ray tracing photons from the x-ray source into the object where they experience their first scattering event and form scattering sources. (b) Propagating photons from their first scattering sources across the object in all directions to form second scattering sources, then repeating this process until all high-order scattering sources are computed using the source iteration method. (c) Ray-tracing photons from scattering sources within the object to the detector, accounting for the detector's energy and anti-scatter grid responses. To make this process computationally tractable, a combination of analytical and discrete methods is applied. The three domains are discretized using the Linear Discontinuous Finite Elements, Multigroup, and Discrete Ordinates methods, respectively, which confer the ability to maintain the accuracy of a continuous solution. Furthermore, through the implementation in CUDA, we sought to exploit the parallel computing capabilities of graphics processing units (GPUs) to achieve the speeds required for clinical utilization. Acuros CTS was validated against Geant4 Monte Carlo simulations using two digital phantoms: (a) a water phantom containing lung, air, and bone inserts (WLAB phantom) and (b) a pelvis phantom derived from a clinical CT dataset. For these studies, we modeled the TrueBeam ® (Varian Medical Systems, Palo Alto, CA) kV imaging system with a source energy of 125 kVp. The imager comprised a 600 μm-thick Cesium Iodide (CsI) scintillator and a 10:1 one-dimensional anti-scatter grid. For the WLAB studies, the full-fan geometry without a bowtie filter was used (with and without the anti-scatter grid). For the pelvis phantom studies, a half-fan geometry with bowtie was used (with the anti-scatter grid). Scattered and primary photon fluences and energies deposited in the detector were recorded. The Acuros CTS and Monte Carlo results demonstrated excellent agreement. For the WLAB studies, the average percent difference between the Monte Carlo- and Acuros-generated scattered photon fluences at the face of the detector was -0.7%. After including the detector response, the average percent differences between the Monte Carlo- and Acuros-generated scatter fractions (SF) were -0.1% without the grid and 0.6% with the grid. For the digital pelvis simulation, the Monte Carlo- and Acuros-generated SFs agreed to within 0.1% on average, despite the scatter-to-primary ratios (SPRs) being as high as 5.5. The Acuros CTS computation time for each scatter image was ~1 s using a single GPU. Acuros CTS enables a fast and accurate calculation of scatter images by deterministically solving the LBTE thus offering a computationally attractive alternative to Monte Carlo methods. Part II describes the application of Acuros CTS to scatter correction of CBCT scans on the TrueBeam system. © 2018 American Association of Physicists in Medicine.

Ultraviolet refractometry using field-based light scattering spectroscopy

PubMed Central

Fu, Dan; Choi, Wonshik; Sung, Yongjin; Oh, Seungeun; Yaqoob, Zahid; Park, YongKeun; Dasari, Ramachandra R.; Feld, Michael S.

2010-01-01

Accurate refractive index measurement in the deep ultraviolet (UV) range is important for the separate quantification of biomolecules such as proteins and DNA in biology. This task is demanding and has not been fully exploited so far. Here we report a new method of measuring refractive index using field-based light scattering spectroscopy, which is applicable to any wavelength range and suitable for both solutions and homogenous objects with well-defined shape such as microspheres. The angular scattering distribution of single microspheres immersed in homogeneous media is measured over the wavelength range 260 to 315 nm using quantitative phase microscopy. By least square fitting the observed scattering distribution with Mie scattering theory, the refractive index of either the sphere or the immersion medium can be determined provided that one is known a priori. Using this method, we have measured the refractive index dispersion of SiO2 spheres and bovine serum albumin (BSA) solutions in the deep UV region. Specific refractive index increments of BSA are also extracted. Typical accuracy of the present refractive index technique is ≤0.003. The precision of refractive index measurements is ≤0.002 and that of specific refractive index increment determination is ≤0.01 mL/g. PMID:20372622

Generalization of the Hartree-Fock approach to collision processes

NASA Astrophysics Data System (ADS)

Hahn, Yukap

1997-06-01

The conventional Hartree and Hartree-Fock approaches for bound states are generalized to treat atomic collision processes. All the single-particle orbitals, for both bound and scattering states, are determined simultaneously by requiring full self-consistency. This generalization is achieved by introducing two Ansäauttze: (a) the weak asymptotic boundary condition, which maintains the correct scattering energy and target orbitals with correct number of nodes, and (b) square integrable amputated scattering functions to generate self-consistent field (SCF) potentials for the target orbitals. The exact initial target and final-state asymptotic wave functions are not required and thus need not be specified a priori, as they are determined simultaneously by the SCF iterations. To check the asymptotic behavior of the solution, the theory is applied to elastic electron-hydrogen scattering at low energies. The solution is found to be stable and the weak asymptotic condition is sufficient to produce the correct scattering amplitudes. The SCF potential for the target orbital shows the strong penetration by the projectile electron during the collision, but the exchange term tends to restore the original form. Potential applicabilities of this extension are discussed, including the treatment of ionization and shake-off processes.

5 MeV Mott Polarimeter Development at Jefferson Lab

DOE Office of Scientific and Technical Information (OSTI.GOV)

Price, J. S.; Sinclair, C. K.; Cardman, L. S.

1997-01-01

Low energy (E{sub k}=100 keV) Mott scattering polarimeters are ill- suited to support operations foreseen for the polarized electron injector at Jefferson Lab. One solution is to measure the polarization at 5 MeV where multiple and plural scattering are unimportant and precision beam monitoring is straightforward. The higher injector beam current offsets the lower cross-sections. Recent improvements in the CEBAF injector polarimeter scattering chamber have improved signal to noise.

Fokker-Planck-Based Acceleration for SN Equations with Highly Forward Peaked Scattering in Slab Geometry

NASA Astrophysics Data System (ADS)

Patel, Japan

Short mean free paths are characteristic of charged particles. High energy charged particles often have highly forward peaked scattering cross sections. Transport problems involving such charged particles are also highly optically thick. When problems simultaneously have forward peaked scattering and high optical thickness, their solution, using standard iterative methods, becomes very inefficient. In this dissertation, we explore Fokker-Planck-based acceleration for solving such problems.

Fibrinogen species as resolved by HPLC-SAXS data processing within the UltraScan Solution Modeler (US-SOMO) enhanced SAS module.

PubMed

Brookes, Emre; Pérez, Javier; Cardinali, Barbara; Profumo, Aldo; Vachette, Patrice; Rocco, Mattia

2013-12-01

Fibrinogen is a large heterogeneous aggregation/degradation-prone protein playing a central role in blood coagulation and associated pathologies, whose structure is not completely resolved. When a high-molecular-weight fraction was analyzed by size-exclusion high-performance liquid chromatography/small-angle X-ray scattering (HPLC-SAXS), several composite peaks were apparent and because of the stickiness of fibrinogen the analysis was complicated by severe capillary fouling. Novel SAS analysis tools developed as a part of the UltraScan Solution Modeler ( US-SOMO ; http://somo.uthscsa.edu/), an open-source suite of utilities with advanced graphical user interfaces whose initial goal was the hydrodynamic modeling of biomacromolecules, were implemented and applied to this problem. They include the correction of baseline drift due to the accumulation of material on the SAXS capillary walls, and the Gaussian decomposition of non-baseline-resolved HPLC-SAXS elution peaks. It was thus possible to resolve at least two species co-eluting under the fibrinogen main monomer peak, probably resulting from in-column degradation, and two others under an oligomers peak. The overall and cross-sectional radii of gyration, molecular mass and mass/length ratio of all species were determined using the manual or semi-automated procedures available within the US-SOMO SAS module. Differences between monomeric species and linear and sideways oligomers were thus identified and rationalized. This new US-SOMO version additionally contains several computational and graphical tools, implementing functionalities such as the mapping of residues contributing to particular regions of P ( r ), and an advanced module for the comparison of primary I ( q ) versus q data with model curves computed from atomic level structures or bead models. It should be of great help in multi-resolution studies involving hydrodynamics, solution scattering and crystallographic/NMR data.

Volume effect of non-polar solvent towards the synthesis of hydrophilic polymer nanoparticles prepares via inverse miniemulsion polymerization

NASA Astrophysics Data System (ADS)

Kamaruddin, Nur Nasyita; Kassim, Syara; Harun, Noor Aniza

2017-09-01

Polymeric nanoparticles have drawn tremendous attention to researchers and have utilized in diverse fields especially in biomedical applications. Nevertheless, question has raised about the safety and hydrophilicity of the nanoparticles to be utilized in medical and biological applications. One promising solution to this problem is to develop biodegradable polymeric nanoparticles with improve hydrophilicity. This study is focusing to develop safer and "greener" polymeric nanoparticles via inverse miniemulsion polymerization techniques, a robust and convenient method to produce water-soluble polymer nanoparticles. Acrylamide (Am), acrylic acid (AA) and methacrylic acid (MAA) monomers have chosen, as they are biocompatible, non-toxic and ecological. The effect of different volumes of cyclohexane towards the formation of polymer nanoparticles, particle size, particle size distribution and morphology of polymer nanoparticles are investigated. The formation and morphology of polymer nanoparticles are determined using FTIR and SEM respectively. The mean diameters of the polymer nanoparticles were in a range of 80 - 250 nm and with broad particle size distributions as determined by dynamic light scattering (DLS). Hydrophilic polyacrylamide (pAm), poly(acrylic acid) (pAA) and poly(methacrylic acid) (pMAA) nanoparticles were successfully achieved by inverse miniemulsion polymerization and have potentiality to be further utilized in the fabrication of hybrid polymer composite nanoparticles especially in biological and medical applications.

A study on scattering correction for γ-photon 3D imaging test method

NASA Astrophysics Data System (ADS)

Xiao, Hui; Zhao, Min; Liu, Jiantang; Chen, Hao

2018-03-01

A pair of 511KeV γ-photons is generated during a positron annihilation. Their directions differ by 180°. The moving path and energy information can be utilized to form the 3D imaging test method in industrial domain. However, the scattered γ-photons are the major factors influencing the imaging precision of the test method. This study proposes a γ-photon single scattering correction method from the perspective of spatial geometry. The method first determines possible scattering points when the scattered γ-photon pair hits the detector pair. The range of scattering angle can then be calculated according to the energy window. Finally, the number of scattered γ-photons denotes the attenuation of the total scattered γ-photons along its moving path. The corrected γ-photons are obtained by deducting the scattered γ-photons from the original ones. Two experiments are conducted to verify the effectiveness of the proposed scattering correction method. The results concluded that the proposed scattering correction method can efficiently correct scattered γ-photons and improve the test accuracy.

Microwave analog experiments on optically soft spheroidal scatterers with weak electromagnetic signature

NASA Astrophysics Data System (ADS)

Saleh, H.; Charon, J.; Dauchet, J.; Tortel, H.; Geffrin, J.-M.

2017-07-01

Light scattering by optically soft particles is being theoretically investigated in many radiative studies. An interest is growing up to develop approximate methods when the resolution of Maxwell's equations is impractical due to time and/or memory size problems with objects of complex geometries. The participation of experimental studies is important to assess novel approximations when no reference solution is available. The microwave analogy represents an efficient solution to perform such electromagnetic measurements in controlled conditions. In this paper, we take advantage of the particular features of our microwave device to present an extensive experimental study on the electromagnetic scattering by spheroidal particles analogs with low refractive indices, as a first step toward the assessment of micro-organisms with low refractive index and heterogeneities. The spheroidal analogs are machined from a low density material and they mimic soft particles of interest to the light scattering community. The measurements are confronted to simulations obtained with Finite Element Method and T-Matrix method. A good agreement is obtained even with refractive index as low as 1.13. Scattered signals of low intensities are correctly measured and the position of the targets is precisely controlled. The forward scattering measurements show high sensitivity to noise and require careful extraction. The configuration of the measurement device reveals different technical requirements between forward and backward scattering directions. The results open interesting perspectives about novel measurement procedures as well as about the use of high prototyping technologies to manufacture analogs of precise refractive indices and shapes.

Evolution of mixed surfactant aggregates in solutions and at solid/solution interfaces

NASA Astrophysics Data System (ADS)

Zhang, Rui

Surfactant systems have been widely used in such as enhanced oil recovery, waste treatment and metallurgy, etc., in order to solve the problem of global energy crisis, to remove the pollutants and to generate novel energy resources. Almost all surfactant systems are invariably mixtures due to beneficial and economic considerations. The sizes and shapes of aggregates in solutions and at solid/solution interfaces become important, since the nanostructures of mixed aggregates determine solution and adsorption properties. A major hurdle in science is the lack of information on the type of complexes and aggregates formed by mixtures and the lack of techniques for deriving such information. Using techniques such as analytical ultracentrifuge, small angle neutron scattering, surface tension, fluorescence, cryo-TEM, light scattering and ultrafiltration, the nanostructures of aggregates of sugar based n-dodecyl-beta-D-maltoside (DM) and nonionic pentaethyleneglycol monododecyl ether or nonyl phenol ethoxylated decyl ether (NP-10) and their mixtures have been investigated to prove the hypothesis that the aggregation behavior is linked to packing of the surfactant governed by the molecular interactions as well as the molecular structures. The results from both sedimentation velocity and sedimentation equilibrium experiments suggest coexistence of two types of micelles in nonyl phenol ethoxylated decyl ether solutions and its mixtures with n-dodecyl-beta-D-maltoside while only one micellar species is present in n-dodecyl-beta-D-maltoside solutions, in good agreement with those from small angle neutron scattering, cryo-TEM, light scattering and ultrafiltration. Type I micelles were primary micelles at cmc while type II micelles were elongated micelles. On the other hand, the nanostructures of mixed surface aggregates have been quantitatively predicted for the first time using a modified packing index. As a continuation of the Somasundaran-Fuersteneau adsorption model, a modified one-step model has been developed to fully understand the adsorption behavior of surfactant mixtures and obtained thermodynamic information on aggregation number and standard free energy for surface aggregation. The findings are expected to provide fundamental basis for the design optimal surfactant schemes for desired purposes.

Quasi-soliton scattering in quantum spin chains

NASA Astrophysics Data System (ADS)

Vlijm, R.; Ganahl, M.; Fioretto, D.; Brockmann, M.; Haque, M.; Evertz, H. G.; Caux, J.-S.

2015-12-01

The quantum scattering of magnon bound states in the anisotropic Heisenberg spin chain is shown to display features similar to the scattering of solitons in classical exactly solvable models. Localized colliding Gaussian wave packets of bound magnons are constructed from string solutions of the Bethe equations and subsequently evolved in time, relying on an algebraic Bethe ansatz based framework for the computation of local expectation values in real space-time. The local magnetization profile shows the trajectories of colliding wave packets of bound magnons, which obtain a spatial displacement upon scattering. Analytic predictions on the displacements for various values of anisotropy and string lengths are derived from scattering theory and Bethe ansatz phase shifts, matching time-evolution fits on the displacements. The time-evolved block decimation algorithm allows for the study of scattering displacements from spin-block states, showing similar scattering displacement features.

Quasi-soliton scattering in quantum spin chains

NASA Astrophysics Data System (ADS)

Fioretto, Davide; Vljim, Rogier; Ganahl, Martin; Brockmann, Michael; Haque, Masud; Evertz, Hans-Gerd; Caux, Jean-Sébastien

The quantum scattering of magnon bound states in the anisotropic Heisenberg spin chain is shown to display features similar to the scattering of solitons in classical exactly solvable models. Localized colliding Gaussian wave packets of bound magnons are constructed from string solutions of the Bethe equations and subsequently evolved in time, relying on an algebraic Bethe ansatz based framework for the computation of local expectation values in real space-time. The local magnetization profile shows the trajectories of colliding wave packets of bound magnons, which obtain a spatial displacement upon scattering. Analytic predictions on the displacements for various values of anisotropy and string lengths are derived from scattering theory and Bethe ansatz phase shifts, matching time evolution fits on the displacements. The TEBD algorithm allows for the study of scattering displacements from spin-block states, showing similar displacement scattering features.

In situ identification of high-performance thin-layer chromatography spots by fourier transform surface-enhanced Raman scattering

NASA Astrophysics Data System (ADS)

Koglin, Eckhardt; Kramer, Hella; Sawatski, Juergen; Lehner, Carolin; Hellman, Janice L.

1994-01-01

FT-SERS has been used to identify samples supported on high-performance thin-layer chromatography plates. The TLC plates were sprayed with colloidal silver solutions which resulted in enhancement of the FT-Raman scattering of these biologically and environmentally important compounds.

Stable silver/biopolymer hybrid plasmonic nanostructures for high performance surface enhanced raman scattering (SERS)

USDA-ARS?s Scientific Manuscript database

Silver/biopolymer nanoparticles were prepared by adding 100 mg silver nitrate to 2% polyvinyl alcohol solution and reduced the silver nitrate into silver ion using 2 % trisodium citrate for high performance Surface Enhanced Raman Scattering (SERS) substrates. Optical properties of nanoparticle were ...

Multiple scattering induced negative refraction of matter waves

PubMed Central

Pinsker, Florian

2016-01-01

Starting from fundamental multiple scattering theory it is shown that negative refraction indices are feasible for matter waves passing a well-defined ensemble of scatterers. A simple approach to this topic is presented and explicit examples for systems of scatterers in 1D and 3D are stated that imply negative refraction for a generic incoming quantum wave packet. Essential features of the effective scattering field, densities and frequency spectrum of scatterers are considered. Additionally it is shown that negative refraction indices allow perfect transmission of the wave passing the ensemble of scatterers. Finally the concept of the superlens is discussed, since it is based on negative refraction and can be extended to matter waves utilizing the observations presented in this paper which thus paves the way to ‘untouchable’ quantum systems in analogy to cloaking devices for electromagnetic waves. PMID:26857266

Structural model of the 50S subunit of E.Coli ribosomes from solution scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Svergun, D.I.; Koch, M.H.J.; Pedersen, J.S.

1994-12-31

The application of new methods of small-angle scattering data interpretation to a contrast variation study of the 50S ribosomal subunit of Escherichia coli in solution is described. The X-ray data from contrast variation with sucrose are analyzed in terms of the basic scattering curves from the volume inaccessible to sucrose and from the regions inside this volume occupied mainly by RNA and by proteins. From these curves models of the shape of the 50S and its RNA-rich core are evaluated and positioned so that their difference produces a scattering curve which is in good agreement with the scattering from themore » protein moiety. Basing on this preliminary model, the X-ray and neutron contrast variation data of the 50S subunit in aqueous solutions are interpreted in the frame of the advanced two-phase model described by the shapes of the 50S subunit and its RNA-rich core taking into account density fluctuations inside the RNA and the protein moiety. The shape of the envelope of the 50S subunit and of the RNA-rich core are evaluated with a resolution of about 40A. The shape of the envelope is in good agreement with the models of the 50S subunit obtained from electron microscopy on isolated particles. The shape of the RNA-rich core correlates well with the model of the entire particle determined by the image reconstruction from ordered sheets indicating that the latter model which is based on the subjective contouring of density maps is heavily biased towards the RNA.« less

Determination of the conformational ensemble of the TAR RNA by X-ray scattering interferometry

PubMed Central

Walker, Peter

2017-01-01

Abstract The conformational ensembles of structured RNA's are crucial for biological function, but they remain difficult to elucidate experimentally. We demonstrate with HIV-1 TAR RNA that X-ray scattering interferometry (XSI) can be used to determine RNA conformational ensembles. X-ray scattering interferometry (XSI) is based on site-specifically labeling RNA with pairs of heavy atom probes, and precisely measuring the distribution of inter-probe distances that arise from a heterogeneous mixture of RNA solution structures. We show that the XSI-based model of the TAR RNA ensemble closely resembles an independent model derived from NMR-RDC data. Further, we show how the TAR RNA ensemble changes shape at different salt concentrations. Finally, we demonstrate that a single hybrid model of the TAR RNA ensemble simultaneously fits both the XSI and NMR-RDC data set and show that XSI can be combined with NMR-RDC to further improve the quality of the determined ensemble. The results suggest that XSI-RNA will be a powerful approach for characterizing the solution conformational ensembles of RNAs and RNA-protein complexes under diverse solution conditions. PMID:28108663

One-loop corrections from higher dimensional tree amplitudes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cachazo, Freddy; He, Song; Yuan, Ellis Ye

We show how one-loop corrections to scattering amplitudes of scalars and gauge bosons can be obtained from tree amplitudes in one higher dimension. Starting with a complete tree-level scattering amplitude of n + 2 particles in five dimensions, one assumes that two of them cannot be “detected” and therefore an integration over their LIPS is carried out. The resulting object, function of the remaining n particles, is taken to be four-dimensional by restricting the corresponding momenta. We perform this procedure in the context of the tree-level CHY formulation of amplitudes. The scattering equations obtained in the procedure coincide with thosemore » derived by Geyer et al. from ambitwistor constructions and recently studied by two of the authors for bi-adjoint scalars. They have two sectors of solutions: regular and singular. We prove that the contribution from regular solutions generically gives rise to unphysical poles. However, using a BCFW argument we prove that the unphysical contributions are always homogeneous functions of the loop momentum and can be discarded. We also show that the contribution from singular solutions turns out to be homogeneous as well.« less

Deducing Shape of Anisotropic Particles in Solution from Light Scattering: Spindles and Nanorods

NASA Astrophysics Data System (ADS)

Tsuper, Ilona; Terrano, Daniel; Streletzky, Kiril A.; Dement'eva, Olga V.; Semyonov, Sergey A.; Rudoy, Victor M.

Depolarized Dynamic Light Scattering (DDLS) enables to measure rotational and translational diffusion of nanoparticles suspended in solution. The particle size, shape, diffusion, and interactions can then be inferred from the DDLS data using various models of diffusion. Incorporating the technique of DDLS to analyze the dimensions of easily imaged elongated particles, such as Iron (III) oxyhydroxide (FeOOH) Spindles and gold Nanorods, allows testing of the models for rotational and translational diffusion of elongated particles in solution. This, in turn, can help to better interpret DDLS data on hard-to-image anisotropic wet systems such as micelles, microgels, and protein complexes. This study focused on FeOOH Spindles and gold nanorod particles. The light scattering results on FeOOH analyzed using the basic model of non-interacting prolate ellipsoids yielded dimensions within 17% of the SEM measured dimensions. The dimensions of gold nanorod obtained from the straight cylinder model of DDLS data provided results within 25% of the sizes that were obtained from TEM. The nanorod DDLS data was also analyzed by a spherocylinder model.

A boundary integral equation method using auxiliary interior surface approach for acoustic radiation and scattering in two dimensions.

PubMed

Yang, S A

2002-10-01

This paper presents an effective solution method for predicting acoustic radiation and scattering fields in two dimensions. The difficulty of the fictitious characteristic frequency is overcome by incorporating an auxiliary interior surface that satisfies certain boundary condition into the body surface. This process gives rise to a set of uniquely solvable boundary integral equations. Distributing monopoles with unknown strengths over the body and interior surfaces yields the simple source formulation. The modified boundary integral equations are further transformed to ordinary ones that contain nonsingular kernels only. This implementation allows direct application of standard quadrature formulas over the entire integration domain; that is, the collocation points are exactly the positions at which the integration points are located. Selecting the interior surface is an easy task. Moreover, only a few corresponding interior nodal points are sufficient for the computation. Numerical calculations consist of the acoustic radiation and scattering by acoustically hard elliptic and rectangular cylinders. Comparisons with analytical solutions are made. Numerical results demonstrate the efficiency and accuracy of the current solution method.

One-loop corrections from higher dimensional tree amplitudes

DOE PAGES

Cachazo, Freddy; He, Song; Yuan, Ellis Ye

2016-08-01

We show how one-loop corrections to scattering amplitudes of scalars and gauge bosons can be obtained from tree amplitudes in one higher dimension. Starting with a complete tree-level scattering amplitude of n + 2 particles in five dimensions, one assumes that two of them cannot be “detected” and therefore an integration over their LIPS is carried out. The resulting object, function of the remaining n particles, is taken to be four-dimensional by restricting the corresponding momenta. We perform this procedure in the context of the tree-level CHY formulation of amplitudes. The scattering equations obtained in the procedure coincide with thosemore » derived by Geyer et al. from ambitwistor constructions and recently studied by two of the authors for bi-adjoint scalars. They have two sectors of solutions: regular and singular. We prove that the contribution from regular solutions generically gives rise to unphysical poles. However, using a BCFW argument we prove that the unphysical contributions are always homogeneous functions of the loop momentum and can be discarded. We also show that the contribution from singular solutions turns out to be homogeneous as well.« less

Direct rapid analysis of trace bioavailable soil macronutrients by chemometrics-assisted energy dispersive X-ray fluorescence and scattering spectrometry.

PubMed

Kaniu, M I; Angeyo, K H; Mwala, A K; Mangala, M J

2012-06-04

Precision agriculture depends on the knowledge and management of soil quality (SQ), which calls for affordable, simple and rapid but accurate analysis of bioavailable soil nutrients. Conventional SQ analysis methods are tedious and expensive. We demonstrate the utility of a new chemometrics-assisted energy dispersive X-ray fluorescence and scattering (EDXRFS) spectroscopy method we have developed for direct rapid analysis of trace 'bioavailable' macronutrients (i.e. C, N, Na, Mg, P) in soils. The method exploits, in addition to X-ray fluorescence, the scatter peaks detected from soil pellets to develop a model for SQ analysis. Spectra were acquired from soil samples held in a Teflon holder analyzed using (109)Cd isotope source EDXRF spectrometer for 200 s. Chemometric techniques namely principal component analysis (PCA), partial least squares (PLS) and artificial neural networks (ANNs) were utilized for pattern recognition based on fluorescence and Compton scatter peaks regions, and to develop multivariate quantitative calibration models based on Compton scatter peak respectively. SQ analyses were realized with high CMD (R(2)>0.9) and low SEP (0.01% for N and Na, 0.05% for C, 0.08% for Mg and 1.98 μg g(-1) for P). Comparison of predicted macronutrients with reference standards using a one-way ANOVA test showed no statistical difference at 95% confidence level. To the best of the authors' knowledge, this is the first time that an XRF method has demonstrated utility in trace analysis of macronutrients in soil or related matrices. Copyright © 2012 Elsevier B.V. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Xianglin; Wang, Yang; Eisenbach, Markus

One major purpose of studying the single-site scattering problem is to obtain the scattering matrices and differential equation solutions indispensable to multiple scattering theory (MST) calculations. On the other hand, the single-site scattering itself is also appealing because it reveals the physical environment experienced by electrons around the scattering center. In this study, we demonstrate a new formalism to calculate the relativistic full-potential single-site Green's function. We implement this method to calculate the single-site density of states and electron charge densities. Lastly, the code is rigorously tested and with the help of Krein's theorem, the relativistic effects and full potentialmore » effects in group V elements and noble metals are thoroughly investigated.« less

Glycerol, trehalose and glycerol-trehalose mixture effects on thermal stabilization of OCT

NASA Astrophysics Data System (ADS)

Barreca, D.; Laganà, G.; Magazù, S.; Migliardo, F.; Bellocco, E.

2013-10-01

The stabilization effects of trehalose, glycerol and their mixtures on ornithine carbamoyltransferase catalytic activity has been studied as a function of temperature by complementary techniques. The obtained results show that the kinematic viscosities of trehalose (1.0 M) and protein mixture are higher than the one of glycerol plus protein. Changing the trehalose/glycerol ratio, we notice a decrease of the kinematic viscosity values at almost all the analyzed ratio. In particular, the solution composed of 95% trehalose-5% glycerol shows a peculiar behavior. Moreover the trehalose (1.0 M) solution shows the higher OCT thermal stabilization at 343 K, while all the other solutions show minor effects. The smallest stabilizing effect is revealed for the solution that shows the maximum kinematic viscosity. These results support Inelastic Neutron Scattering (INS) and Quasi Elastic Neutron Scattering (QENS) findings, which pointed out a slowing down of the relaxation and diffusive dynamics in some investigated samples.

Stationary states of fermions in a sign potential with a mixed vector–scalar coupling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Castilho, W.M., E-mail: castilho.w@gmail.com; Castro, A.S. de, E-mail: castro@pq.cnpq.br

2014-01-15

The scattering of a fermion in the background of a sign potential is considered with a general mixing of vector and scalar Lorentz structures with the scalar coupling stronger than or equal to the vector coupling under the Sturm–Liouville perspective. When the vector coupling and the scalar coupling have different magnitudes, an isolated solution shows that the fermion under a strong potential can be trapped in a highly localized region without manifestation of Klein’s paradox. It is also shown that the lonely bound-state solution disappears asymptotically as one approaches the conditions for the realization of spin and pseudospin symmetries. --more » Highlights: •Scattering of fermions in a sign potential assessed under a Sturm–Liouville perspective. •An isolated bounded solution. •No pair production despite the high localization. •No bounded solution under exact spin and pseudospin symmetries.« less

The applications of small-angle X-ray scattering in studying nano-scaled polyoxometalate clusters in solutions

NASA Astrophysics Data System (ADS)

Li, Mu; Zhang, Mingxin; Wang, Weiyu; Cheng, Stephen Z. D.; Yin, Panchao

2018-05-01

Nano-scaled polyoxometalates (POMs) clusters with sizes ranging from 1 to 10 nm attract tremendous attention and have been extensively studied due to POMs' fascinating structural characteristics and prospects for wide-ranging applications. As a unique class of nanoparticles with well-defined structural topologies and monodispersed masses, the structures and properties of POMs in both bulk state and solutions have been explored with several well-developed protocols. Small-angle X-ray scattering (SAXS) technique, as a powerful tool for studying polymers and nanoparticles, has been recently extended to the investigating of solution behaviors of POMs. In this mini-review, the general principle and typical experimental procedures of SAXS are illustrated first. The applications of SAXS in characterizing POMs' morphology, counterion distribution around POMs, and short-range interactions among POMs in solutions are highlighted. [Figure not available: see fulltext.

Sound-turbulence interaction in transonic boundary layers

NASA Astrophysics Data System (ADS)

Lelostec, Ludovic; Scalo, Carlo; Lele, Sanjiva

2014-11-01

Acoustic wave scattering in a transonic boundary layer is investigated through a novel approach. Instead of simulating directly the interaction of an incoming oblique acoustic wave with a turbulent boundary layer, suitable Dirichlet conditions are imposed at the wall to reproduce only the reflected wave resulting from the interaction of the incident wave with the boundary layer. The method is first validated using the laminar boundary layer profiles in a parallel flow approximation. For this scattering problem an exact inviscid solution can be found in the frequency domain which requires numerical solution of an ODE. The Dirichlet conditions are imposed in a high-fidelity unstructured compressible flow solver for Large Eddy Simulation (LES), CharLESx. The acoustic field of the reflected wave is then solved and the interaction between the boundary layer and sound scattering can be studied.

Protein aggregate turbidity: Simulation of turbidity profiles for mixed-aggregation reactions.

PubMed

Hall, Damien; Zhao, Ran; Dehlsen, Ian; Bloomfield, Nathaniel; Williams, Steven R; Arisaka, Fumio; Goto, Yuji; Carver, John A

2016-04-01

Due to their colloidal nature, all protein aggregates scatter light in the visible wavelength region when formed in aqueous solution. This phenomenon makes solution turbidity, a quantity proportional to the relative loss in forward intensity of scattered light, a convenient method for monitoring protein aggregation in biochemical assays. Although turbidity is often taken to be a linear descriptor of the progress of aggregation reactions, this assumption is usually made without performing the necessary checks to provide it with a firm underlying basis. In this article, we outline utilitarian methods for simulating the turbidity generated by homogeneous and mixed-protein aggregation reactions containing fibrous, amorphous, and crystalline structures. The approach is based on a combination of Rayleigh-Gans-Debye theory and approximate forms of the Mie scattering equations. Crown Copyright © 2015. Published by Elsevier Inc. All rights reserved.

Limiting cases of the small-angle scattering approximation solutions for the propagation of laser beams in anisotropic scattering media

NASA Technical Reports Server (NTRS)

Box, M. A.; Deepak, A.

1981-01-01

The propagation of photons in a medium with strongly anisotropic scattering is a problem with a considerable history. Like the propagation of electrons in metal foils, it may be solved in the small-angle scattering approximation by the use of Fourier-transform techniques. In certain limiting cases, one may even obtain analytic expressions. This paper presents some of these results in a model-independent form and also illustrates them by the use of four different phase-function models. Sample calculations are provided for comparison purposes

Intrinsic Raman spectroscopy for quantitative biological spectroscopy Part II

PubMed Central

Bechtel, Kate L.; Shih, Wei-Chuan; Feld, Michael S.

2009-01-01

We demonstrate the effectiveness of intrinsic Raman spectroscopy (IRS) at reducing errors caused by absorption and scattering. Physical tissue models, solutions of varying absorption and scattering coefficients with known concentrations of Raman scatterers, are studied. We show significant improvement in prediction error by implementing IRS to predict concentrations of Raman scatterers using both ordinary least squares regression (OLS) and partial least squares regression (PLS). In particular, we show that IRS provides a robust calibration model that does not increase in error when applied to samples with optical properties outside the range of calibration. PMID:18711512

Measurements of the scattering of sound by a line vortex

NASA Technical Reports Server (NTRS)

Horne, W. C.

1983-01-01

This paper presents measurements of the phase and magnitude of the scattered field arising from the incidence of a monochromatic plane sound field as a steady vortex. The amplitude of the scattered field was found to vary linearly with the vortex strength, and with the incident wave amplitude and frequency as predicted by solutions based on the Born approximation. The scattered field was observed to be nonsingular in the incidence direction, and this was similar to predictions by the Parabolic Equation Method (PEM) rather than the Born approximation, which predicts singular behavior in the incidence direction.

Electron scattering by highly polar molecules. III - CsCl

NASA Technical Reports Server (NTRS)

Vuskovic, L.; Srivastava, S. K.

1981-01-01

Utilizing a crossed electron-beam-molecular-beam scattering geometry, relative values of differential electron scattering cross sections for cesium chloride at 5 and 20 eV electron impact energies and at scattering angles between 10 and 120 deg have been measured. These relative cross sections have been normalized to the cross section at 15 deg scattering angle calculated by the hybrid S-matrix technique. In the angular range between 0 and 10 deg and between 120 and 180 deg extrapolations have been made to obtain integral and momentum transfer cross sections. An energy-loss spectrum is also presented which gives various spectral features lying between the 4 and 10 eV regions in CsCl.

Numerical solutions of the macroscopic Maxwell equations for scattering by non-spherical particles: A tutorial review

NASA Astrophysics Data System (ADS)

Kahnert, Michael

2016-07-01

Numerical solution methods for electromagnetic scattering by non-spherical particles comprise a variety of different techniques, which can be traced back to different assumptions and solution strategies applied to the macroscopic Maxwell equations. One can distinguish between time- and frequency-domain methods; further, one can divide numerical techniques into finite-difference methods (which are based on approximating the differential operators), separation-of-variables methods (which are based on expanding the solution in a complete set of functions, thus approximating the fields), and volume integral-equation methods (which are usually solved by discretisation of the target volume and invoking the long-wave approximation in each volume cell). While existing reviews of the topic often tend to have a target audience of program developers and expert users, this tutorial review is intended to accommodate the needs of practitioners as well as novices to the field. The required conciseness is achieved by limiting the presentation to a selection of illustrative methods, and by omitting many technical details that are not essential at a first exposure to the subject. On the other hand, the theoretical basis of numerical methods is explained with little compromises in mathematical rigour; the rationale is that a good grasp of numerical light scattering methods is best achieved by understanding their foundation in Maxwell's theory.

Heuristic Green's function of the time dependent radiative transfer equation for a semi-infinite medium.

PubMed

Martelli, Fabrizio; Sassaroli, Angelo; Pifferi, Antonio; Torricelli, Alessandro; Spinelli, Lorenzo; Zaccanti, Giovanni

2007-12-24

The Green's function of the time dependent radiative transfer equation for the semi-infinite medium is derived for the first time by a heuristic approach based on the extrapolated boundary condition and on an almost exact solution for the infinite medium. Monte Carlo simulations performed both in the simple case of isotropic scattering and of an isotropic point-like source, and in the more realistic case of anisotropic scattering and pencil beam source, are used to validate the heuristic Green's function. Except for the very early times, the proposed solution has an excellent accuracy (> 98 % for the isotropic case, and > 97 % for the anisotropic case) significantly better than the diffusion equation. The use of this solution could be extremely useful in the biomedical optics field where it can be directly employed in conditions where the use of the diffusion equation is limited, e.g. small volume samples, high absorption and/or low scattering media, short source-receiver distances and early times. Also it represents a first step to derive tools for other geometries (e.g. slab and slab with inhomogeneities inside) of practical interest for noninvasive spectroscopy and diffuse optical imaging. Moreover the proposed solution can be useful to several research fields where the study of a transport process is fundamental.

Towards optical brain imaging: getting light through a bone

NASA Astrophysics Data System (ADS)

Thompson, J. V.; Hokr, B. H.; Nodurft, D. T.; Yakovlev, V. V.

2018-06-01

Optical imaging and detection in biological samples is severely limited by scattering effects. In particular, optical techniques for measuring conditions beneath the skull and within the bone marrow hold significant promise when it comes to speed, sensitivity and specificity. However, the strong optical scattering due to bone hinders the realization of these methods. In this article, we propose a technique to enhance the transmittance of light through bone. This is achieved by injecting light below the top surface of the bone and utilizing multiple scattering to increase transmittance. This technique suggests that enhancements of 2-6 times may be realized by injection of light 1 mm below the surface of the bone. By enhancing the transmittance of light through bone, we will greatly improve our ability to utilize optical methods to better understand and diagnose conditions within biological media.

Review of the inverse scattering problem at fixed energy in quantum mechanics

NASA Technical Reports Server (NTRS)

Sabatier, P. C.

1972-01-01

Methods of solution of the inverse scattering problem at fixed energy in quantum mechanics are presented. Scattering experiments of a beam of particles at a nonrelativisitic energy by a target made up of particles are analyzed. The Schroedinger equation is used to develop the quantum mechanical description of the system and one of several functions depending on the relative distance of the particles. The inverse problem is the construction of the potentials from experimental measurements.

Complete solution of electronic excitation and ionization in electron-hydrogen molecule scattering

DOE PAGES

Zammit, Mark C.; Savage, Jeremy S.; Fursa, Dmitry V.; ...

2016-06-08

The convergent close-coupling method has been used to solve the electron-hydrogen molecule scattering problem in the fixed-nuclei approximation. Excellent agreement with experiment is found for the grand total, elastic, electronic-excitation, and total ionization cross sections from the very low to the very high energies. This shows that for the electronic degrees of freedom the method provides a complete treatment of electron scattering on molecules as it does for atoms.

Structural and mechanical properties of cardiolipin lipid bilayers determined using neutron spin echo, small angle neutron and X-ray scattering, and molecular dynamics simulations

DOE PAGES

Pan, Jianjun; Cheng, Xiaolin; Sharp, Melissa; ...

2014-10-29

We report that the detailed structural and mechanical properties of a tetraoleoyl cardiolipin (TOCL) bilayer were determined using neutron spin echo (NSE) spectroscopy, small angle neutron and X-ray scattering (SANS and SAXS, respectively), and molecular dynamics (MD) simulations. We used MD simulations to develop a scattering density profile (SDP) model, which was then utilized to jointly refine SANS and SAXS data. In addition to commonly reported lipid bilayer structural parameters, component distributions were obtained, including the volume probability, electron density and neutron scattering length density.

Light scattering from laser induced pit ensembles on high power laser optics

DOE PAGES

Feigenbaum, Eyal; Elhadj, Selim; Matthews, Manyalibo J.

2015-01-01

Far-field light scattering characteristics from randomly arranged shallow Gaussian-like shaped laser induced pits, found on optics exposed to high energy laser pulses, is studied. Closed-form expressions for the far-field intensity distribution and scattered power are derived for individual pits and validated using numerical calculations of both Fourier optics and FDTD solutions to Maxwell’s equations. It is found that the scattered power is proportional to the square of the pit width and approximately also to the square of the pit depth, with the proportionality factor scaling with pit depth. As a result, the power scattered from shallow pitted optics is expectedmore » to be substantially lower than assuming complete scattering from the total visible footprint of the pits.« less

Stimulated Rayleigh-Bragg scattering in two-photon absorbing media

NASA Astrophysics Data System (ADS)

He, Guang S.; Lu, Changgui; Zheng, Qingdong; Prasad, Paras N.; Zerom, Petros; Boyd, Robert W.; Samoc, Marek

2005-06-01

The origin and mechanism of backward stimulated Rayleigh scattering in two-photon absorbing media are studied theoretically and experimentally. This type of stimulated scattering has the unusual features of no frequency shift and low pump threshold requirement compared to all other known stimulated scattering effects. This frequency-unshifted stimulated Rayleigh scattering effect can be well explained by a two-photon-excitation-enhanced Bragg grating reflection model. The reflection of the forward pump beam from this stationary Bragg grating may substantially enhance the backward Rayleigh scattering beam, providing a positive feedback mechanism without causing any frequency shift. A two-counterpropagating-beam-formed grating experiment in a two-photon absorbing dye solution is conducted. The measured dynamic behavior of Bragg grating formation and reflectivity properties are basically consistent with the predictions from the proposed model.

Scattering of electromagnetic waves from a half-space of randomly distributed discrete scatterers and polarized backscattering ratio law

NASA Technical Reports Server (NTRS)

Zhu, P. Y.

1991-01-01

The effective-medium approximation is applied to investigate scattering from a half-space of randomly and densely distributed discrete scatterers. Starting from vector wave equations, an approximation, called effective-medium Born approximation, a particular way, treating Green's functions, and special coordinates, of which the origin is set at the field point, are used to calculate the bistatic- and back-scatterings. An analytic solution of backscattering with closed form is obtained and it shows a depolarization effect. The theoretical results are in good agreement with the experimental measurements in the cases of snow, multi- and first-year sea-ice. The root product ratio of polarization to depolarization in backscattering is equal to 8; this result constitutes a law about polarized scattering phenomena in the nature.

An efficient algorithm for the generalized Foldy-Lax formulation

NASA Astrophysics Data System (ADS)

Huang, Kai; Li, Peijun; Zhao, Hongkai

2013-02-01

Consider the scattering of a time-harmonic plane wave incident on a two-scale heterogeneous medium, which consists of scatterers that are much smaller than the wavelength and extended scatterers that are comparable to the wavelength. In this work we treat those small scatterers as isotropic point scatterers and use a generalized Foldy-Lax formulation to model wave propagation and capture multiple scattering among point scatterers and extended scatterers. Our formulation is given as a coupled system, which combines the original Foldy-Lax formulation for the point scatterers and the regular boundary integral equation for the extended obstacle scatterers. The existence and uniqueness of the solution for the formulation is established in terms of physical parameters such as the scattering coefficient and the separation distances. Computationally, an efficient physically motivated Gauss-Seidel iterative method is proposed to solve the coupled system, where only a linear system of algebraic equations for point scatterers or a boundary integral equation for a single extended obstacle scatterer is required to solve at each step of iteration. The convergence of the iterative method is also characterized in terms of physical parameters. Numerical tests for the far-field patterns of scattered fields arising from uniformly or randomly distributed point scatterers and single or multiple extended obstacle scatterers are presented.

Electrostatics-driven assembly of uni-lamellar catanionic facetted vesicles

NASA Astrophysics Data System (ADS)

Leung, Cheuk-Yui; Palmer, Liam; Kewalramani, Sumit; Sknepnek, Rastko; Vernizzi, Graziano; Greenfield, Megan; Stupp, Samuel; Bedzyk, Michael; Olvera de La Cruz, Monica

2012-02-01

Nature utilizes shape to generate function. Organelle and halophilic bacteria wall envelopes, for example, adopt various polyhedral shapes to compartmentalize matter. The origin of these shapes is unknown. A large variety of shell geometries, either fully faceted polyhedra or mixed Janus-like vesicles with faceted and curved domains that resemble cellular shells can be generated by coassembling water-insoluble anionic (--1) amphiphiles with high valence cationic (+2 and +3) amphiphiles. Electron microscopy, X-ray scattering, theory and simulations demonstrate that the resulting faceted ionic shells are crystalline, and stable at high salt concentrations. The crystallization of the co-assembled single tail amphiphiles is induced by ionic correlations, and modified by the solution pH. This work promotes the design of faceted shapes for various applications and improves our understanding of the origin of polyhedral shells in nature.

Single-coil properties and concentration effects for polyelectrolyte-like wormlike micelles: a Monte Carlo study

NASA Astrophysics Data System (ADS)

Cannavacciuolo, Luigi; Skov Pedersen, Jan; Schurtenberger, Peter

2002-03-01

Results of an extensive Monte Carlo (MC) study on both single and many semiflexible charged chains with excluded volume (EV) are summarized. The model employed has been tailored to mimic wormlike micelles in solution. Simulations have been performed at different ionic strengths of added salt, charge densities, chain lengths and volume fractions Φ, covering the dilute to concentrated regime. At infinite dilution the scattering functions can be fitted by the same fitting functions as for uncharged semiflexible chains with EV, provided that an electrostatic contribution bel is added to the bare Kuhn length. The scaling of bel is found to be more complex than the Odijk-Skolnick-Fixman predictions, and qualitatively compatible with more recent variational calculations. Universality in the scaling of the radius of gyration is found if all lengths are rescaled by the total Kuhn length. At finite concentrations, the simple model used is able to reproduce the structural peak in the scattering function S(q) observed in many experiments, as well as other properties of polyelectrolytes (PELs) in solution. Universal behaviour of the forward scattering S(0) is established after a rescaling of Φ. MC data are found to be in very good agreement with experimental scattering measurements with equilibrium PELs, which are giant wormlike micelles formed in mixtures of nonionic and ionic surfactants in dilute aqueous solution, with added salt.

Solution to the Boltzmann equation for layered systems for current perpendicular to the planes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Butler, W. H.; Zhang, X.-G.; MacLaren, J. M.

2000-05-01

Present theories of giant magnetoresistance (GMR) for current perpendicular to the planes (CPP) are based on an extremely restricted solution to the Boltzmann equation that assumes a single free electron band structure for all layers and all spin channels. Within this model only the scattering rate changes from one layer to the next. This model leads to the remarkable result that the resistance of a layered material is simply the sum of the resistances of each layer. We present a solution to the Boltzmann equation for CPP for the case in which the electronic structure can be different for differentmore » layers. The problem of matching boundary conditions between layers is much more complicated than in the current in the planes (CIP) geometry because it is necessary to include the scattering-in term of the Boltzmann equation even for the case of isotropic scattering. This term couples different values of the momentum parallel to the planes. When the electronic structure is different in different layers there is an interface resistance even in the absence of intermixing of the layers. The size of this interface resistance is affected by the electronic structure, scattering rates, and thicknesses of nearby layers. For Co-Cu, the calculated interface resistance and its spin asymmetry is comparable to that measured at low temperature in sputtered samples. (c) 2000 American Institute of Physics.« less

Counterion adsorption theory of dilute polyelectrolyte solutions: Apparent molecular weight, second virial coefficient, and intermolecular structure factor

PubMed Central

Muthukumar, M.

2012-01-01

Polyelectrolyte chains are well known to be strongly correlated even in extremely dilute solutions in the absence of additional strong electrolytes. Such correlations result in severe difficulties in interpreting light scattering measurements in the determination of the molecular weight, radius of gyration, and the second virial coefficient of charged macromolecules at lower ionic strengths from added strong electrolytes. By accounting for charge-regularization of the polyelectrolyte by the counterions, we present a theory of the apparent molecular weight, second virial coefficient, and the intermolecular structure factor in dilute polyelectrolyte solutions in terms of concentrations of the polymer and the added strong electrolyte. The counterion adsorption of the polyelectrolyte chains to differing levels at different concentrations of the strong electrolyte can lead to even an order of magnitude discrepancy in the molecular weight inferred from light scattering measurements. Based on counterion-mediated charge regularization, the second virial coefficient of the polyelectrolyte and the interchain structure factor are derived self-consistently. The effect of the interchain correlations, dominating at lower salt concentrations, on the inference of the radius of gyration and on molecular weight is derived. Conditions for the onset of nonmonotonic scattering wave vector dependence of scattered intensity upon lowering the electrolyte concentration and interpretation of the apparent radius of gyration are derived in terms of the counterion adsorption mechanism. PMID:22830728

Gustav Mie and the evolving subject of light scattering by particles

NASA Astrophysics Data System (ADS)

Mishchenko, Michael I.; Travis, Larry D.

2009-03-01

The year 2008 marks the centenary of the seminal paper by Gustav Mie on light scattering by homogeneous spherical particles. With more than 3,800 citations, Mie's paper has been among the most influential physics publications of the twentieth century. It has affected profoundly the development of a great variety of science disciplines including atmospheric radiation, meteorological optics, remote sensing, aerosol physics, nanoscience, astrophysics, and biomedical optics. Mie's paper represented a fundamental advancement over the earlier publications by Ludvig Lorenz in that it was explicitly based on the Maxwell equations, gave the final solution in a convenient and closed form suitable for practical computations, and imparted physical reality to the abstract concept of electromagnetic scattering. The Mie solution anticipated such general concepts as far-field scattering and the Sommerfeld-Silver-Müller boundary conditions at infinity as well as paved the way to such important extensions as the separation of variables method for spheroids and the T-matrix method. Among illustrative uses of the Mie solution are the explanation of the spectacular optical displays caused by cloud and rain droplets, the detection of sulfuric acid particles in the atmosphere of Venus from Earth-based polarimetry, and optical particle characterization based on measurements of morphology-dependent resonances. Yet there is no doubt that the full practical potential of the Mie theory is still to be revealed.

Modeling boundary measurements of scattered light using the corrected diffusion approximation

PubMed Central

Lehtikangas, Ossi; Tarvainen, Tanja; Kim, Arnold D.

2012-01-01

We study the modeling and simulation of steady-state measurements of light scattered by a turbid medium taken at the boundary. In particular, we implement the recently introduced corrected diffusion approximation in two spatial dimensions to model these boundary measurements. This implementation uses expansions in plane wave solutions to compute boundary conditions and the additive boundary layer correction, and a finite element method to solve the diffusion equation. We show that this corrected diffusion approximation models boundary measurements substantially better than the standard diffusion approximation in comparison to numerical solutions of the radiative transport equation. PMID:22435102

Laplace-transform-based method to calculate back-reflected radiance from an isotropically scattering half-space

NASA Astrophysics Data System (ADS)

Rinzema, K.; Hoenders, B. J.; Ferwerda, H. A.

1997-07-01

We present a method to determine the back-reflected radiance from an isotropically scattering half-space with matched boundary. This method has the advantage that it leads very quickly to the relevant equations, the numerical solution of which is also quite easy. Essentially, the method is derived from a mathematical criterion that effectively forbids the existence of solutions to the transport equation which grow exponentially as one moves away from the surface and deeper into the medium. Preliminary calculations for infinitely wide beams yield results which agree very well with what is found in the literature.

Paired Pulse Basis Functions for the Method of Moments EFIE Solution of Electromagnetic Problems Involving Arbitrarily-shaped, Three-dimensional Dielectric Scatterers

NASA Technical Reports Server (NTRS)

MacKenzie, Anne I.; Rao, Sadasiva M.; Baginski, Michael E.

2007-01-01

A pair of basis functions is presented for the surface integral, method of moment solution of scattering by arbitrarily-shaped, three-dimensional dielectric bodies. Equivalent surface currents are represented by orthogonal unit pulse vectors in conjunction with triangular patch modeling. The electric field integral equation is employed with closed geometries for dielectric bodies; the method may also be applied to conductors. Radar cross section results are shown for dielectric bodies having canonical spherical, cylindrical, and cubic shapes. Pulse basis function results are compared to results by other methods.

Numerical Inverse Scattering for the Toda Lattice

NASA Astrophysics Data System (ADS)

Bilman, Deniz; Trogdon, Thomas

2017-06-01

We present a method to compute the inverse scattering transform (IST) for the famed Toda lattice by solving the associated Riemann-Hilbert (RH) problem numerically. Deformations for the RH problem are incorporated so that the IST can be evaluated in O(1) operations for arbitrary points in the ( n, t)-domain, including short- and long-time regimes. No time-stepping is required to compute the solution because ( n, t) appear as parameters in the associated RH problem. The solution of the Toda lattice is computed in long-time asymptotic regions where the asymptotics are not known rigorously.

Radiative heat transfer in strongly forward scattering media of circulating fluidized bed combustors

NASA Astrophysics Data System (ADS)

Ates, Cihan; Ozen, Guzide; Selçuk, Nevin; Kulah, Gorkem

2016-10-01

Investigation of the effect of particle scattering on radiative incident heat fluxes and source terms is carried out in the dilute zone of the lignite-fired 150 kWt Middle East Technical University Circulating Fluidized Bed Combustor (METU CFBC) test rig. The dilute zone is treated as an axisymmetric cylindrical enclosure containing grey/non-grey, absorbing, emitting gas with absorbing, emitting non/isotropically/anisotropically scattering particles surrounded by grey diffuse walls. A two-dimensional axisymmetric radiation model based on Method of Lines (MOL) solution of Discrete Ordinates Method (DOM) coupled with Grey Gas (GG)/Spectral Line-Based Weighted Sum of Grey Gases Model (SLW) and Mie theory/geometric optics approximation (GOA) is extended for incorporation of anisotropic scattering by using normalized Henyey-Greenstein (HG)/transport approximation for the phase function. Input data for the radiation model is obtained from predictions of a comprehensive model previously developed and benchmarked against measurements on the same CFBC burning low calorific value indigenous lignite with high volatile matter/fixed carbon (VM/FC) ratio in its own ash. Predictive accuracy and computational efficiency of nonscattering, isotropic scattering and forward scattering with transport approximation are tested by comparing their predictions with those of forward scattering with HG. GG and GOA based on reflectivity with angular dependency are found to be accurate and CPU efficient. Comparisons reveal that isotropic assumption leads to under-prediction of both incident heat fluxes and source terms for which discrepancy is much larger. On the other hand, predictions obtained by neglecting scattering were found to be in favorable agreement with those of forward scattering at significantly less CPU time. Transport approximation is as accurate and CPU efficient as HG. These findings indicate that negligence of scattering is a more practical choice in solution of the radiative transfer equation (RTE) in conjunction with conservation equations for the system under consideration.

Comparison of the Radiative Two-Flux and Diffusion Approximations

NASA Technical Reports Server (NTRS)

Spuckler, Charles M.

2006-01-01

Approximate solutions are sometimes used to determine the heat transfer and temperatures in a semitransparent material in which conduction and thermal radiation are acting. A comparison of the Milne-Eddington two-flux approximation and the diffusion approximation for combined conduction and radiation heat transfer in a ceramic material was preformed to determine the accuracy of the diffusion solution. A plane gray semitransparent layer without a substrate and a non-gray semitransparent plane layer on an opaque substrate were considered. For the plane gray layer the material is semitransparent for all wavelengths and the scattering and absorption coefficients do not vary with wavelength. For the non-gray plane layer the material is semitransparent with constant absorption and scattering coefficients up to a specified wavelength. At higher wavelengths the non-gray plane layer is assumed to be opaque. The layers are heated on one side and cooled on the other by diffuse radiation and convection. The scattering and absorption coefficients were varied. The error in the diffusion approximation compared to the Milne-Eddington two flux approximation was obtained as a function of scattering coefficient and absorption coefficient. The percent difference in interface temperatures and heat flux through the layer obtained using the Milne-Eddington two-flux and diffusion approximations are presented as a function of scattering coefficient and absorption coefficient. The largest errors occur for high scattering and low absorption except for the back surface temperature of the plane gray layer where the error is also larger at low scattering and low absorption. It is shown that the accuracy of the diffusion approximation can be improved for some scattering and absorption conditions if a reflectance obtained from a Kubelka-Munk type two flux theory is used instead of a reflection obtained from the Fresnel equation. The Kubelka-Munk reflectance accounts for surface reflection and radiation scattered back by internal scattering sites while the Fresnel reflection only accounts for surface reflections.

Charge-dependent conformations and dynamics of pamam dendrimers revealed by neutron scattering and molecular dynamics

NASA Astrophysics Data System (ADS)

Wu, Bin

Neutron scattering and fully atomistic molecular dynamics (MD) are employed to investigate the structural and dynamical properties of polyamidoamine (PAMAM) dendrimers with ethylenediamine (EDA) core under various charge conditions. Regarding to the conformational characteristics, we focus on scrutinizing density profile evolution of PAMAM dendrimers as the molecular charge of dendrimer increases from neutral state to highly charged condition. It should be noted that within the context of small angle neutron scattering (SANS), the dendrimers are composed of hydrocarbon component (dry part) and the penetrating water molecules. Though there have been SANS experiments that studied the charge-dependent structural change of PAMAM dendrimers, their results were limited to the collective behavior of the aforementioned two parts. This study is devoted to deepen the understanding towards the structural responsiveness of intra-molecular polymeric and hydration parts separately through advanced contrast variation SANS data analysis scheme available recently and unravel the governing principles through coupling with MD simulations. Two kinds of acids, namely hydrochloric and sulfuric acids, are utilized to tune the pH condition and hence the molecular charge. As far as the dynamical properties, we target at understanding the underlying mechanism that leads to segmental dynamic enhancement observed from quasielstic neutron scattering (QENS) experiment previously. PAMAM dendrimers have a wealth of potential applications, such as drug delivery agency, energy harvesting medium, and light emitting diodes. More importantly, it is regarded as an ideal system to test many theoretical predictions since dendrimers conjugate both colloid-like globular shape and polymer-like flexible chains. This Ph.D. research addresses two main challenges in studying PAMAM dendrimers. Even though neutron scattering is an ideal tool to study this PAMAM dendrimer solution due to its matching temporal and spatial instrumental scales, understanding experimental results involves extensive and difficult data analysis based on liquid theory and condensed matter physics. Therefore, a model that successfully describes the inter- and intra-dendrimer correlations is crucial in obtaining and delivering reliable information. On the other hand, making meaningful comparisons between molecular dynamics and neutron scattering is a fundamental challenge to link simulations and experiments at the nano-scale. This challenge stems from our approach to utilize MD simulation to explain the underlying mechanism of experimental observation. The SANS measurements were conducted on a series of SANS spectrometers including the Extended Q-Range Small-Angle Neutron Scattering Diffractometer (EQ-SANS) and the General-Purpose Small-Angle Neutron Scattering Diffractometer (GP-SANS) at the Oak Ridge National Laboratory (ORNL), and NG7 Small Angle Neutron Scattering Spectrometer at National Institute of Standards (NIST) and Technology in U.S.A., large dynamic range small-angle diffractometer D22 at Institut Laue-Langevin (ILL) in France, and 40m-SANS Spectrometer at Korea Atomic Energy Research Institute (KAERI) in Korea. On the other hand, the Amber molecular dynamics simulation package is utilized to carry out the computational study. In this dissertation, the following observations have been revealed. The previously developed theoretical model for polyelectrolyte dendrimers are adopted to analyze SANS measurements and superb model fitting quality is found. Coupling with advanced contrast variation small angle neutron scattering (CVSANS) data analysis scheme reported recently, the intra-dendrimer hydration and hydrocarbon components distributions are revealed experimentally. The results indeed indicate that the maximum density is located in the molecular center rather than periphery, which is consistent to previous SANS studies and the back-folding picture of PAMAM dendrimers. According to this picture, at neutral condition, the exterior residues folding back into interior would necessarily lead to higher entropy and equivalently lower free energy and thereby is energetically favored. As one decreases the pH condition of PAMAM dendrimers, the constituent residues would carry positive charges. The resultant inter-residue Coulomb repulsion would naturally result in conformational evolution. We found from CVSANS analysis that when dendrimers are charged by different acids, this conformational evolution is not the same. For dendrimers charged by DCl, the mass is seen to relocate from molecular interior to periphery. Nevertheless, those acidified by D 2SO4 exhibit surprisingly minor structural change under variation of molecular charge. To explain the above observation, we performed MD simulations and calculated the excess free energy of Cl- and SO 42- counterions. The binding between sulfate ions and charged amines of PAMAM dendrimers are found to be much stronger than the case for chlorides. This more energetic binding would serve as better screening effect among charged residues. Consequently, electrostatic repulsion triggered outstretching tendency is effectively diminished. In order to make direct comparison between MD simulations and neutron scattering experiments, we proposed and implemented a rigorous method, which incorporates the contribution from those invasive water molecules, to calculate scattering functions of a single PAMAM dendrimer using equilibrium MD trajectories. The bridge between neutron scattering experiments and MD simulation is successfully established. Aside from structural comparisons between MD simulations and experiments, we utilized MD simulation to decipher the previously reported QENS experimental observation that the segmental dynamics of PAMAM dendrimer would enhance with increasing molecular charge. We pursued the mechanism from the perspective of hydrocarbon component of dendrimer and solvent (water) interaction as a form similar to hydrogen bonding. It is found that the population of this bonding would increase and the corresponding relaxation would slow down as molecular charge increases. We perceive that through more and longer interaction between penetrating water molecules and polymeric part of dendrimer, the dynamics of latter could be enhanced.

Synchrotron-based coherent scatter x-ray projection imaging using an array of monoenergetic pencil beams.

PubMed

Landheer, Karl; Johns, Paul C

2012-09-01

Traditional projection x-ray imaging utilizes only the information from the primary photons. Low-angle coherent scatter images can be acquired simultaneous to the primary images and provide additional information. In medical applications scatter imaging can improve x-ray contrast or reduce dose using information that is currently discarded in radiological images to augment the transmitted radiation information. Other applications include non-destructive testing and security. A system at the Canadian Light Source synchrotron was configured which utilizes multiple pencil beams (up to five) to create both primary and coherent scatter projection images, simultaneously. The sample was scanned through the beams using an automated step-and-shoot setup. Pixels were acquired in a hexagonal lattice to maximize packing efficiency. The typical pitch was between 1.0 and 1.6 mm. A Maximum Likelihood-Expectation Maximization-based iterative method was used to disentangle the overlapping information from the flat panel digital x-ray detector. The pixel value of the coherent scatter image was generated by integrating the radial profile (scatter intensity versus scattering angle) over an angular range. Different angular ranges maximize the contrast between different materials of interest. A five-beam primary and scatter image set (which had a pixel beam time of 990 ms and total scan time of 56 min) of a porcine phantom is included. For comparison a single-beam coherent scatter image of the same phantom is included. The muscle-fat contrast was 0.10 ± 0.01 and 1.16 ± 0.03 for the five-beam primary and scatter images, respectively. The air kerma was measured free in air using aluminum oxide optically stimulated luminescent dosimeters. The total area-averaged air kerma for the scan was measured to be 7.2 ± 0.4 cGy although due to difficulties in small-beam dosimetry this number could be inaccurate.

Laser induced heat source distribution in bio-tissues

NASA Astrophysics Data System (ADS)

Li, Xiaoxia; Fan, Shifu; Zhao, Youquan

2006-09-01

During numerical simulation of laser and tissue thermal interaction, the light fluence rate distribution should be formularized and constituted to the source term in the heat transfer equation. Usually the solution of light irradiative transport equation is given in extreme conditions such as full absorption (Lambert-Beer Law), full scattering (Lubelka-Munk theory), most scattering (Diffusion Approximation) et al. But in specific conditions, these solutions will induce different errors. The usually used Monte Carlo simulation (MCS) is more universal and exact but has difficulty to deal with dynamic parameter and fast simulation. Its area partition pattern has limits when applying FEM (finite element method) to solve the bio-heat transfer partial differential coefficient equation. Laser heat source plots of above methods showed much difference with MCS. In order to solve this problem, through analyzing different optical actions such as reflection, scattering and absorption on the laser induced heat generation in bio-tissue, a new attempt was made out which combined the modified beam broaden model and the diffusion approximation model. First the scattering coefficient was replaced by reduced scattering coefficient in the beam broaden model, which is more reasonable when scattering was treated as anisotropic scattering. Secondly the attenuation coefficient was replaced by effective attenuation coefficient in scattering dominating turbid bio-tissue. The computation results of the modified method were compared with Monte Carlo simulation and showed the model provided reasonable predictions of heat source term distribution than past methods. Such a research is useful for explaining the physical characteristics of heat source in the heat transfer equation, establishing effective photo-thermal model, and providing theory contrast for related laser medicine experiments.

Solution of the radiative transfer equation for Rayleigh scattering using the infinite medium Green's function

NASA Astrophysics Data System (ADS)

Biçer, M.; Kaşkaş, A.

2018-03-01

The infinite medium Green's function is used to solve the half-space albedo, slab albedo and Milne problems for the unpolarized Rayleigh scattering case; these problems are the most classical problems of radiative transfer theory. The numerical results are obtained and are compared with previous ones.

Protein Analysis by Dynamic Light Scattering: Methods and Techniques for Students

ERIC Educational Resources Information Center

Lorber, Bernard; Fischer, Frederic; Bailly, Marc; Roy, Herve; Kern, Daniel

2012-01-01

Dynamic light scattering (DLS) analyses are routinely used in biology laboratories to detect aggregates in macromolecular solutions, to determine the size of proteins, nucleic acids, and complexes or to monitor the binding of ligands. This article is written for graduate and undergraduate students with access to DLS and for faculty members who…

Multiple scattering in chiral media: border effects, reduced depolarization, and sensitivity limit

NASA Astrophysics Data System (ADS)

Delplancke, Francoise; Badoz, Jacques P.; Boccara, A. Claude

1997-10-01

Suspensions of polystyrene latex beads in chiral solutions were investigated. The rotatory power, induced by solubilized sucrose, in near-forward scattering was measured via a method using polarization modulation by photo-elastic modulator. The sensitivity of the measurement was enhanced and optimized in order to measure sucrose concentrations as low as 5 mg/ml in a cell 5 mm thick only. Different concentrations and diameters of latex particles were used in combination with different sucrose concentrations going from 1 mg/ml up to saturation. The experiments showed that the apparent rotatory power is enhanced by multiple scattering, that depolarization effects are less important with highly concentrated sucrose solutions and that attention has to be paid to cell border effects in order to avoid important artifacts, in case of highly scattering suspensions. Qualitative and theoretical explanations of those observations are presented. One possible application of this method is to measure the sugar content in human blood, in vivo, non-invasively, through the skin. The concentration to be evaluated is at the sensitivity limit. So any artifact has to be removed carefully, e.g. skin cell birefringence or chirality.

Modal element method for scattering of sound by absorbing bodies

NASA Technical Reports Server (NTRS)

Baumeister, Kenneth J.; Kreider, Kevin L.

1992-01-01

The modal element method for acoustic scattering from 2-D body is presented. The body may be acoustically soft (absorbing) or hard (reflecting). The infinite computational region is divided into two subdomains - the bounded finite element domain, which is characterized by complicated geometry and/or variable material properties, and the surrounding unbounded homogeneous domain. The acoustic pressure field is represented approximately in the finite element domain by a finite element solution, and is represented analytically by an eigenfunction expansion in the homogeneous domain. The two solutions are coupled by the continuity of pressure and velocity across the interface between the two subdomains. Also, for hard bodies, a compact modal ring grid system is introduced for which computing requirements are drastically reduced. Analysis for 2-D scattering from solid and coated (acoustically treated) bodies is presented, and several simple numerical examples are discussed. In addition, criteria are presented for determining the number of modes to accurately resolve the scattered pressure field from a solid cylinder as a function of the frequency of the incoming wave and the radius of the cylinder.

The Prediction of Scattered Broadband Shock-Associated Noise

NASA Technical Reports Server (NTRS)

Miller, Steven A. E.

2015-01-01

A mathematical model is developed for the prediction of scattered broadband shock-associated noise. Model arguments are dependent on the vector Green's function of the linearized Euler equations, steady Reynolds-averaged Navier-Stokes solutions, and the two-point cross-correlation of the equivalent source. The equivalent source is dependent on steady Reynolds-averaged Navier-Stokes solutions of the jet flow, that capture the nozzle geometry and airframe surface. Contours of the time-averaged streamwise velocity component and turbulent kinetic energy are examined with varying airframe position relative to the nozzle exit. Propagation effects are incorporated by approximating the vector Green's function of the linearized Euler equations. This approximation involves the use of ray theory and an assumption that broadband shock-associated noise is relatively unaffected by the refraction of the jet shear layer. A non-dimensional parameter is proposed that quantifies the changes of the broadband shock-associated noise source with varying jet operating condition and airframe position. Scattered broadband shock-associated noise possesses a second set of broadband lobes that are due to the effect of scattering. Presented predictions demonstrate relatively good agreement compared to a wide variety of measurements.

Sonar Imaging of Elastic Fluid-Filled Cylindrical Shells.

NASA Astrophysics Data System (ADS)

Dodd, Stirling Scott

1995-01-01

Previously a method of describing spherical acoustic waves in cylindrical coordinates was applied to the problem of point source scattering by an elastic infinite fluid -filled cylindrical shell (S. Dodd and C. Loeffler, J. Acoust. Soc. Am. 97, 3284(A) (1995)). This method is applied to numerically model monostatic oblique incidence scattering from a truncated cylinder by a narrow-beam high-frequency imaging sonar. The narrow beam solution results from integrating the point source solution over the spatial extent of a line source and line receiver. The cylinder truncation is treated by the method of images, and assumes that the reflection coefficient at the truncation is unity. The scattering form functions, calculated using this method, are applied as filters to a narrow bandwidth, high ka pulse to find the time domain scattering response. The time domain pulses are further processed and displayed in the form of a sonar image. These images compare favorably to experimentally obtained images (G. Kaduchak and C. Loeffler, J. Acoust. Soc. Am. 97, 3289(A) (1995)). The impact of the s_{ rm o} and a_{rm o} Lamb waves is vividly apparent in the images.

Robust, high-throughput solution structural analyses by small angle X-ray scattering (SAXS)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hura, Greg L.; Menon, Angeli L.; Hammel, Michal

2009-07-20

We present an efficient pipeline enabling high-throughput analysis of protein structure in solution with small angle X-ray scattering (SAXS). Our SAXS pipeline combines automated sample handling of microliter volumes, temperature and anaerobic control, rapid data collection and data analysis, and couples structural analysis with automated archiving. We subjected 50 representative proteins, mostly from Pyrococcus furiosus, to this pipeline and found that 30 were multimeric structures in solution. SAXS analysis allowed us to distinguish aggregated and unfolded proteins, define global structural parameters and oligomeric states for most samples, identify shapes and similar structures for 25 unknown structures, and determine envelopes formore » 41 proteins. We believe that high-throughput SAXS is an enabling technology that may change the way that structural genomics research is done.« less

Pinpointing the North Korea Nuclear tests with body waves scattered by surface topography

NASA Astrophysics Data System (ADS)

Wang, N.; Shen, Y.; Bao, X.; Flinders, A. F.

2017-12-01

On September 3, 2017, North Korea conducted its sixth and by far the largest nuclear test at the Punggye-ri test site. In this work, we apply a novel full-wave location method that combines a non-linear grid-search algorithm with the 3D strain Green's tensor database to locate this event. We use the first arrivals (Pn waves) and their immediate codas, which are likely dominated by waves scattered by the surface topography near the source, to pinpoint the source location. We assess the solution in the search volume using a least-squares misfit between the observed and synthetic waveforms, which are obtained using the collocated-grid finite difference method on curvilinear grids. We calculate the one standard deviation level of the 'best' solution as a posterior error estimation. Our results show that the waveform based location method allows us to obtain accurate solutions with a small number of stations. The solutions are absolute locations as opposed to relative locations based on relative travel times, because topography-scattered waves depend on the geometric relations between the source and the unique topography near the source. Moreover, we use both differential waveforms and traveltimes to locate pairs of the North Korea tests in years 2016 and 2017 to further reduce the effects of inaccuracies in the reference velocity model (CRUST 1.0). Finally, we compare our solutions with those of other studies based on satellite images and relative traveltimes.

Dynamic light scattering in ophthalmology: results of in vitro and in vivo experiments.

PubMed

Fankhauser, Franz

2006-01-01

To calibrate new dynamic light scattering (DLS) devices in defined solutions and post mortem porcine and human eyes. To examine all segments of the eye and to become familiar with the usage of the technique in living subjects. METHODS, DESIGN: Three new DLS devices for the usage in patients were developed. Mono-disperse solutions, poly-disperse solutions, gels, post mortem porcine and human eyes as well as healthy volunteers were studied. The detected signals were inverted into autocorrelation functions. We constructed three DLS devices appropriate for in vitro as well as in vivo examinations. In mono disperse solution precise disintegration rates could be calculated. In poly-disperse solutions, in gel and in the vitreous the results did not correlate with movements of individual particles but we could calculate characteristics of the complete scattering system. In vivo measurements demonstrated that DLS can be used in all human eye segments. DLS is a unique technique. With DLS the molecular composition of eye segments can be studied in living subjects. This can be used to understand the molecular basis of severe eye diseases. The presented data demonstrate that DLS delivers reproducible data from all eye segments. It is possible to study the molecular structures of eye segments in living subjects. The developed devices were proved successfully in vitro as well as in vivo. Limitations are the low specificity of DLS and its sensitivity to background noise. Now clinical studies are necessary to demonstrate potential diagnostic benefits of DLS in specific eye diseases.

Means and method for calibrating a photon detector utilizing electron-photon coincidence

NASA Technical Reports Server (NTRS)

Srivastava, S. K. (Inventor)

1984-01-01

An arrangement for calibrating a photon detector particularly applicable for the ultraviolet and vacuum ultraviolet regions is based on electron photon coincidence utilizing crossed electron beam atom beam collisions. Atoms are excited by electrons which lose a known amount of energy and scatter with a known remaining energy, while the excited atoms emit photons of known radiation. Electrons of the known remaining energy are separated from other electrons and are counted. Photons emitted in a direction related to the particular direction of scattered electrons are detected to serve as a standard. Each of the electrons is used to initiate the measurements of a time interval which terminates with the arrival of a photon exciting the photon detector. Only the number of time intervals related to the coincidence correlation and of electrons scattered in the particular direction with the known remaining energy and photons of a particular radiation level emitted due to the collisions of such scattered electrons are counted. The detector calibration is related to the number of counted electrons and photons.

Bistatic 3D Electromagnetic Scattering From a Right-Angle Dihedral at Arbitrary Orientation and Position

DTIC Science & Technology

2011-03-24

compared to shooting and bouncing rays (SBR) and method of moments (MoM) predictions, as well as measured data for applicable cases. The model in this...prediction codes based on Shooting and Bouncing Rays (SBR) or Method of Moments (MoM) can be used to obtain accurate bistatic scatter- ing solutions for a...in-plane RCS pattern for dihedral. (a) For monostatic in-plane scattering, rays entering a right-angle dihedral are reflected back in the direction

Two-photon absorption induced stimulated Rayleigh-Bragg scattering

NASA Astrophysics Data System (ADS)

He, Guang S.; Prasad, Paras N.

2005-01-01

A frequency-unshifted and backward stimulated scattering can be efficiently generated in one-photon-absorption free but two-photon absorbing materials. Using a number of novel two-photon absorbing dye solutions as the scattering media and nanosecond pulsed laser as the pump beams, a highly directional backward stimulated scattering at the exact pump wavelength can be readily observed once the pump intensity is higher than a certain threshold level. The spectral and spatial structures as well as the temporal behavior and optical phase-conjugation property of this new type of backward stimulated scattering have been experimentally studied. This stimulated scattering phenomenon can be explained by using a model of two-photon-excitation enhanced standing-wave Bragg grating initially formed by the strong forward pump beam and much weaker backward Rayleigh scattering beam; the partial reflection of the pump beam from this grating provides an positive feedback to the initial backward Rayleigh scattering beam without suffering linear attenuation influence. Comparing to other known stimulated (Raman, Brillouin, Rayleigh-wing, and Kerr) scattering effects, the stimulated Rayleigh-Bragg scattering exhibits the advantages of no frequency-shift, low pump threshold, and low spectral linewidth requirement.

Evaluation of current tropospheric mapping functions by Deep Space Network very long baseline interferometry

NASA Technical Reports Server (NTRS)

Sovers, O. J.; Lanyi, G. E.

1994-01-01

To compare the validity of current algorithms that map zenith tropospheric delay to arbitrary elevation angles, 10 different tropospheric mapping functions are used to analyze the current data base of Deep Space Network Mark 3 intercontinental very long baseline interferometric (VLBI) data. This analysis serves as a stringent test because of the high proportion of low-elevation observations necessitated by the extremely long baselines. Postfit delay and delay-rate residuals are examined, as well as the scatter of baseline lengths about the time-linear model that characterizes tectonic motion. Among the functions that utilize surface meteorological data as input parameters, the Lanyi 1984 mapping shows the best performance both for residuals and baselines, through the 1985 Davis function is statistically nearly identical. The next best performance is shown by the recent function of Niell, which is based on an examination of global atmospheric characteristics as a function of season and uses no weather data at the time of the measurements. The Niell function shows a slight improvement in residuals relative to Lanyi, but also an increase in baseline scatter that is significant for the California-Spain baseline. Two variants of the Chao mapping function, as well as the Chao tables used with the interpolation algorithm employed in the Orbit Determination Program software, show substandard behavior for both VLBI residuals and baseline scatter. The length of the California-Australia baseline (10,600 km) in the VLBI solution can vary by as much as 5 to 10 cm for the 10 mapping functions.

Variable-permittivity linear inverse problem for the H(sub z)-polarized case

NASA Technical Reports Server (NTRS)

Moghaddam, M.; Chew, W. C.

1993-01-01

The H(sub z)-polarized inverse problem has rarely been studied before due to the complicated way in which the unknown permittivity appears in the wave equation. This problem is equivalent to the acoustic inverse problem with variable density. We have recently reported the solution to the nonlinear variable-permittivity H(sub z)-polarized inverse problem using the Born iterative method. Here, the linear inverse problem is solved for permittivity (epsilon) and permeability (mu) using a different approach which is an extension of the basic ideas of diffraction tomography (DT). The key to solving this problem is to utilize frequency diversity to obtain the required independent measurements. The receivers are assumed to be in the far field of the object, and plane wave incidence is also assumed. It is assumed that the scatterer is weak, so that the Born approximation can be used to arrive at a relationship between the measured pressure field and two terms related to the spatial Fourier transform of the two unknowns, epsilon and mu. The term involving permeability corresponds to monopole scattering and that for permittivity to dipole scattering. Measurements at several frequencies are used and a least squares problem is solved to reconstruct epsilon and mu. It is observed that the low spatial frequencies in the spectra of epsilon and mu produce inaccuracies in the results. Hence, a regularization method is devised to remove this problem. Several results are shown. Low contrast objects for which the above analysis holds are used to show that good reconstructions are obtained for both permittivity and permeability after regularization is applied.

Characterization of ultrahigh-molecular weight cationic polyacrylamide using frit-inlet asymmetrical flow field-flow fractionation and multi-angle light scattering.

PubMed

Woo, Sohee; Lee, Ju Yong; Choi, Woonjin; Moon, Myeong Hee

2016-01-15

In this study, frit inlet asymmetrical flow field-flow fractionation (FlFFF) with multi-angle light scattering (MALS) and differential refractive index (DRI) detection is utilized for size separation, determination of molecular weight (MW), and conformation of ultrahigh-MW (10(7)-10(9) g/mol) cationic polyacrylamides (C-PAMs), a class of water-soluble copolymers based on acrylamide and vinyl-type comonomers with quaternary ammonium cations that are widely used in wastewater treatment and in paper industries. Linear and branched C-PAM copolymers prepared in two different polymerization methods (solution and emulsion) from varying amounts of crosslinking agent and initiator were size fractionated by FlFFF with field-programming. It was found experimentally that the linear copolymers from both polymerization methods were less than 10(8) g/mol in MW with compact, nearly spherical structures, while the branched C-PAM copolymers from the emulsion polymerization showed a significant increase in average MW up to ∼ 10(9)g/mol, which was about 20-fold greater than those from the solution method, and the branched copolymers had more compact or shrunken conformations. While both linear and branched copolymers less than 10(8) g/mol MW were well resolved in an increasing order of MW (normal mode), it was noted that branched copolymers prepared through emulsion polymerization exhibited significantly larger MWs of 10(8-)10(9) g/mol and eluted in the steric/hyperlayer mode, in which the elution order is reversed in an extreme run condition (strong initial field strength followed by a fast field decay during programming). Copyright © 2015 Elsevier B.V. All rights reserved.

Nuclear forward scattering of synchrotron radiation by 99Ru

DOE PAGES

Bessas, D.; Merkel, D. G.; Chumakov, A. I.; ...

2014-10-03

In this study, we measured nuclear forward scattering spectra utilizing the 99Ru transition, 89.571(3) keV, with a notably mixed E2/M1 multipolarity. The extension of the standard evaluation routines to include mixed multipolarity allows us to extract electric and magnetic hyperfine interactions from 99Ru-containing compounds. This paves the way for several other high-energy Mössbauer transitions, E~90 keV. Lastly, the high energy of such transitions allows for operando nuclear forward scattering studies in real devices.

Early history of neutron scattering at oak ridge

NASA Astrophysics Data System (ADS)

Wilkinson, M. K.

1986-03-01

Most of the early development of neutron scattering techniques utilizing reactor neutrons occurred at the Oak Ridge National Laboratory during the years immediately following World War II. C.G. Shull, E.O. Wollan, and their associates systematically established neutron diffraction as a quantitative research tool and then applied this technique to important problems in nuclear physics, chemical crystallography, and magnetism. This article briefly summarizes the very important research at ORNL during this period, which laid the foundation for the establishment of neutron scattering programs throughout the world.

Structural studies of RNA-protein complexes: A hybrid approach involving hydrodynamics, scattering, and computational methods.

PubMed

Patel, Trushar R; Chojnowski, Grzegorz; Astha; Koul, Amit; McKenna, Sean A; Bujnicki, Janusz M

2017-04-15

The diverse functional cellular roles played by ribonucleic acids (RNA) have emphasized the need to develop rapid and accurate methodologies to elucidate the relationship between the structure and function of RNA. Structural biology tools such as X-ray crystallography and Nuclear Magnetic Resonance are highly useful methods to obtain atomic-level resolution models of macromolecules. However, both methods have sample, time, and technical limitations that prevent their application to a number of macromolecules of interest. An emerging alternative to high-resolution structural techniques is to employ a hybrid approach that combines low-resolution shape information about macromolecules and their complexes from experimental hydrodynamic (e.g. analytical ultracentrifugation) and solution scattering measurements (e.g., solution X-ray or neutron scattering), with computational modeling to obtain atomic-level models. While promising, scattering methods rely on aggregation-free, monodispersed preparations and therefore the careful development of a quality control pipeline is fundamental to an unbiased and reliable structural determination. This review article describes hydrodynamic techniques that are highly valuable for homogeneity studies, scattering techniques useful to study the low-resolution shape, and strategies for computational modeling to obtain high-resolution 3D structural models of RNAs, proteins, and RNA-protein complexes. Copyright © 2016 The Author(s). Published by Elsevier Inc. All rights reserved.

Accurate source location from waves scattered by surface topography: Applications to the Nevada and North Korean test sites

NASA Astrophysics Data System (ADS)

Shen, Y.; Wang, N.; Bao, X.; Flinders, A. F.

2016-12-01

Scattered waves generated near the source contains energy converted from the near-field waves to the far-field propagating waves, which can be used to achieve location accuracy beyond the diffraction limit. In this work, we apply a novel full-wave location method that combines a grid-search algorithm with the 3D Green's tensor database to locate the Non-Proliferation Experiment (NPE) at the Nevada test site and the North Korean nuclear tests. We use the first arrivals (Pn/Pg) and their immediate codas, which are likely dominated by waves scattered at the surface topography near the source, to determine the source location. We investigate seismograms in the frequency of [1.0 2.0] Hz to reduce noises in the data and highlight topography scattered waves. High resolution topographic models constructed from 10 and 90 m grids are used for Nevada and North Korea, respectively. The reference velocity model is based on CRUST 1.0. We use the collocated-grid finite difference method on curvilinear grids to calculate the strain Green's tensor and obtain synthetic waveforms using source-receiver reciprocity. The `best' solution is found based on the least-square misfit between the observed and synthetic waveforms. To suppress random noises, an optimal weighting method for three-component seismograms is applied in misfit calculation. Our results show that the scattered waves are crucial in improving resolution and allow us to obtain accurate solutions with a small number of stations. Since the scattered waves depends on topography, which is known at the wavelengths of regional seismic waves, our approach yields absolute, instead of relative, source locations. We compare our solutions with those of USGS and other studies. Moreover, we use differential waveforms to locate pairs of the North Korea tests from years 2006, 2009, 2013 and 2016 to further reduce the effects of unmodeled heterogeneities and errors in the reference velocity model.

Convective flow effects on protein crystal growth

NASA Technical Reports Server (NTRS)

Rosenberger, Franz; Monaco, Lisa A.

1994-01-01

The long-term stability of the interferometric setup for the monitoring of protein morphologies has been improved. Growth or dissolution of a crystal on a 100 A scale can now be clearly distinguished from dimensional changes occurring within the optical path of the interferometer. This capability of simultaneously monitoring the local interfacial displacement at several widely-spaced positions on the crystal surface with high local depth resolution, has already yielded novel results. We found with lysozyme that (1) the normal growth rate is oscillatory, and (2) the mean growth step density is greater at the periphery of a facet than in its center. The repartitioning of Na(+) and Cl(-) ions between lysozyme solutions and crystals was studied for a wide range of crystallization conditions. A nucleation-growth-repartitioning model was developed to interpret the large body of data in a unified way. The results strongly suggests that (1) the ion to lysozyme ratio in the crystal depends mostly on kinetic rather than crystallographic parameters, and (2) lysozyme crystals possess a salt-rich core with a diameter on the order of 10 microns. The computational model for diffusive-convective transport in protein crystallization (see the First Report) has been applied to a realistic growth cell geometry, taking into account the findings of the above repartitioning studies. These results show that some elements of a moving boundary problem must be incorporated into the model in order to obtain a more realistic description. Our experimental setup for light scattering investigations of aggregation and nucleation in protein solutions has been extensively tested. Scattering intensity measurements with a true Rayleigh scatterer produced systematically increased forward scattering, indicating problems with glare. These have been resolved. Preliminary measurements with supersaturated lysozyme solutions revealed that the scatterers grow with time. Work has begun on a computer program for the unified evaluation of simultaneously obtained, multi-angle static and dynamic light scattering data.

A full-potential approach to the relativistic single-site Green's function

DOE PAGES

Liu, Xianglin; Wang, Yang; Eisenbach, Markus; ...

2016-07-07

One major purpose of studying the single-site scattering problem is to obtain the scattering matrices and differential equation solutions indispensable to multiple scattering theory (MST) calculations. On the other hand, the single-site scattering itself is also appealing because it reveals the physical environment experienced by electrons around the scattering center. In this study, we demonstrate a new formalism to calculate the relativistic full-potential single-site Green's function. We implement this method to calculate the single-site density of states and electron charge densities. Lastly, the code is rigorously tested and with the help of Krein's theorem, the relativistic effects and full potentialmore » effects in group V elements and noble metals are thoroughly investigated.« less

Charactrisation of particle assemblies by 3D cross correlation light scattering and diffusing wave spectroscopy

NASA Astrophysics Data System (ADS)

Scheffold, Frank

2014-08-01

To characterize the structural and dynamic properties of soft materials and small particles, information on the relevant mesoscopic length scales is required. Such information is often obtained from traditional static and dynamic light scattering (SLS/DLS) experiments in the single scattering regime. In many dense systems, however, these powerful techniques frequently fail due to strong multiple scattering of light. Here I will discuss some experimental innovations that have emerged over the last decade. New methods such as 3D static and dynamic light scattering (3D LS) as well as diffusing wave spectroscopy (DWS) can cover a much extended range of experimental parameters ranging from dilute polymer solutions, colloidal suspensions to extremely opaque viscoelastic emulsions.

Do protein crystals nucleate within dense liquid clusters?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maes, Dominique, E-mail: dommaes@vub.ac.be; Vorontsova, Maria A.; Potenza, Marco A. C.

2015-06-27

The evolution of protein-rich clusters and nucleating crystals were characterized by dynamic light scattering (DLS), confocal depolarized dynamic light scattering (cDDLS) and depolarized oblique illumination dark-field microscopy. Newly nucleated crystals within protein-rich clusters were detected directly. These observations indicate that the protein-rich clusters are locations for crystal nucleation. Protein-dense liquid clusters are regions of high protein concentration that have been observed in solutions of several proteins. The typical cluster size varies from several tens to several hundreds of nanometres and their volume fraction remains below 10{sup −3} of the solution. According to the two-step mechanism of nucleation, the protein-rich clustersmore » serve as locations for and precursors to the nucleation of protein crystals. While the two-step mechanism explained several unusual features of protein crystal nucleation kinetics, a direct observation of its validity for protein crystals has been lacking. Here, two independent observations of crystal nucleation with the proteins lysozyme and glucose isomerase are discussed. Firstly, the evolutions of the protein-rich clusters and nucleating crystals were characterized simultaneously by dynamic light scattering (DLS) and confocal depolarized dynamic light scattering (cDDLS), respectively. It is demonstrated that protein crystals appear following a significant delay after cluster formation. The cDDLS correlation functions follow a Gaussian decay, indicative of nondiffusive motion. A possible explanation is that the crystals are contained inside large clusters and are driven by the elasticity of the cluster surface. Secondly, depolarized oblique illumination dark-field microscopy reveals the evolution from liquid clusters without crystals to newly nucleated crystals contained in the clusters to grown crystals freely diffusing in the solution. Collectively, the observations indicate that the protein-rich clusters in lysozyme and glucose isomerase solutions are locations for crystal nucleation.« less

Progress on the Development of the Next Generation X-ray Beam Position Monitors at the Advanced Photon Source

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, S.H.; Yang, B.X.; Decker, G.

Accurate and stable x-ray beam position monitors (XBPMs) are ke y elements in obtaining the desired user beam stability in the Advanced Photon Source (APS). The next generat ion XBPMs for high heat load front ends (HHL FEs) have been designed to meet these requirements by utilizing Cu K-edge x-ray fluorescence (XRF) from a pair of copper absorbers and have been installed at the front ends (FEs) of the APS. Com missioning data showed a significant performance improvement over the existing photoemission-based XBPMs. While a similar design concept can be applied for the canted undulator front ends, where two undulatormore » beams are separated by 1.0-mrad, the lower beam power (< 10 kW) per undulator allows us to explore lower-cost solutions based on Compton scat tering from the diamond blades placed edge-on to the x- ray beam. A prototype of the Compton scattering XBPM system was i nstalled at 24-ID-A in May 2015. In this report, the design and test results for XRF-based XBPM and Compton scattering based XBPM are presented. Ongoing research related to the development of the next generation XBPMs on thermal contac t resistance of a joint between two solid bodies is also discussed« less

Studying protein structural changes based on surface plasmon resonance and surface-enhanced Raman scattering

NASA Astrophysics Data System (ADS)

Hu, Wen-Pin; Chen, Shean-Jen; Yih, Jenq-Nan; Lin, G.-Y.; Chang, Guan L.

2004-06-01

The ability to recognize the conformational changes and structural variations of a protein when immobilized in a solid surface is of great importance in a variety of applications. Surface plasmon resonance (SPR) sensing is an appropriate technique for investigating interfacial phenomena, and enables the conformational changes of proteins to be monitored through the variation in the SPR angle shift. Meanwhile, the surface-enhanced Raman scattering (SERS) system can also assist in clarifying the changes in protein structure. The present study utilizes a 1 mM CrO3 phosphate buffer solution (PBS) to induce conformational changes of human serum albumin (HSA). Monitoring the corresponding SPR angle shifts and the SPR reflectivity spectrum enables the relationships between the conformational changes of the surface-immobilized protein and the thickness and dielectric constants of the protein layer to be estimated. The experimental SPR results indicate that the Cr6+ ions cause significant conformational change of the protein. It is established that the ions are not merely absorbed into the protein as a result of electrostatic forces, but that complex protein refolding events also take place. Furthermore, the data acquired from the SERS system yield valuable information regarding the changes which take place in the protein structure.

Highly sensitive immunoassay of anti-cyclic citrullinated peptide marker using surface-enhanced Raman scattering detection

NASA Astrophysics Data System (ADS)

Chon, H.; Lee, S.; Wang, R.; Bang, S.-Y.; Lee, H.-S.; Bae, S.-C.; Hong, S. H.; Yoon, Y. H.; Lim, D.; Choo, J.

2015-07-01

We report a highly sensitive anti-cyclic citrullinated peptide (anti-CCP) detection method for early diagnosis of rheumatoid arthritis (RA) using surface-enhanced Raman scattering (SERS)-based immunoassay. Herein, cyclic citrullinated peptide (CCP)-conjugated magnetic beads and anti-human IgG-conjugated hollow gold nanospheres (HGNs) were used as substrates and SERS nano-tags, respectively. First, its detection sensitivity was evaluated using anti-CCP standard solutions. Then quantitative anti-CCP levels, determined by the SERS-based assay, were compared with those obtained from three commercially available anti-CCP assay kits (Immunoscan CCPlus, ImmunnLisa™ CCP and BioPlex™ 2200) to assess its potential utility as a clinical tool. Finally, clinical samples from 20 RA patients were investigated using them. In the SERS-based assay, the anti-CCP level in human serum was successfully determined by monitoring the characteristic Raman peak intensity of SERS nano-tags. The diagnostic performance of our SERS-based immunoassay for clinical samples shows a good agreement with those measured by three commercial anti-CCP kits. In addition, our SERS-based assay results are more consistent in the low concentration range (0-25 U/mL) than those achieved by the commercial kits. Accordingly, it is estimated that the SERS-based assay is a potentially useful diagnostic tool for early diagnosis of RA.

Generalized Fokker-Planck theory for electron and photon transport in biological tissues: application to radiotherapy.

PubMed

Olbrant, Edgar; Frank, Martin

2010-12-01

In this paper, we study a deterministic method for particle transport in biological tissues. The method is specifically developed for dose calculations in cancer therapy and for radiological imaging. Generalized Fokker-Planck (GFP) theory [Leakeas and Larsen, Nucl. Sci. Eng. 137 (2001), pp. 236-250] has been developed to improve the Fokker-Planck (FP) equation in cases where scattering is forward-peaked and where there is a sufficient amount of large-angle scattering. We compare grid-based numerical solutions to FP and GFP in realistic medical applications. First, electron dose calculations in heterogeneous parts of the human body are performed. Therefore, accurate electron scattering cross sections are included and their incorporation into our model is extensively described. Second, we solve GFP approximations of the radiative transport equation to investigate reflectance and transmittance of light in biological tissues. All results are compared with either Monte Carlo or discrete-ordinates transport solutions.

Modeling of Electromagnetic Scattering by Discrete and Discretely Heterogeneous Random Media by Using Numerically Exact Solutions of the Maxwell Equations

NASA Technical Reports Server (NTRS)

Dlugach, Janna M.; Mishchenko, Michael I.

2017-01-01

In this paper, we discuss some aspects of numerical modeling of electromagnetic scattering by discrete random medium by using numerically exact solutions of the macroscopic Maxwell equations. Typical examples of such media are clouds of interstellar dust, clouds of interplanetary dust in the Solar system, dusty atmospheres of comets, particulate planetary rings, clouds in planetary atmospheres, aerosol particles with numerous inclusions and so on. Our study is based on the results of extensive computations of different characteristics of electromagnetic scattering obtained by using the superposition T-matrix method which represents a direct computer solver of the macroscopic Maxwell equations for an arbitrary multisphere configuration. As a result, in particular, we clarify the range of applicability of the low-density theories of radiative transfer and coherent backscattering as well as of widely used effective-medium approximations.

The study of the structural properties of very low viscosity sodium alginate by small-angle neutron scattering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Badita, C. R., E-mail: ramona@tandem.nipne.ro; University of Bucharest, Faculty of Physics, Atomiştilor 405, CP MG - 11, RO – 077125, Bucharest-Magurele; Aranghel, D., E-mail: daranghe@nipne.ro

2016-03-25

Sodium alginate is a linear polymer extract from brown algae and it is used in the biomedical, food, cosmetics and pharmaceutical industries as solution property modifiers and gelling agents. But despite the extensive studies of the alginate gelation process, still some fundamental questions remain unresolved. The fractal behavior of very low viscosity sodium alginate solutions and their influence on the critical gelation of alginate induced by Ca{sup 2+} ions were investigated using Small-Angle Neutron Scattering (SANS) measurements. SANS data are interpreted using both standard linear plots and the Beaucage model. The scattering intensity is dependent by alginate concentration and Ca{supmore » 2+} concentration. From a critical concentration of 1.0 % w/w our polymer swelled forming spherical structures with rough surfaces. Also the addition of the salt induces the collapse and the appearance of the aggregation and clusters formation.« less

Accurate viscosity measurements of flowing aqueous glucose solutions with suspended scatterers using a dynamic light scattering approach with optical coherence tomography.

PubMed

Weatherbee, Andrew; Popov, Ivan; Vitkin, Alex

2017-08-01

The viscosity of turbid colloidal glucose solutions has been accurately determined from spectral domain optical coherence tomography (OCT) M-mode measurements and our recently developed OCT dynamic light scattering model. Results for various glucose concentrations, flow speeds, and flow angles are reported. The relative "combined standard uncertainty" uc(η) on the viscosity measurements was ±1% for the no-flow case and ±5% for the flow cases, a significant improvement in measurement robustness over previously published reports. The available literature data for the viscosity of pure water and our measurements differ by 1% (stagnant case) and 1.5% (flow cases), demonstrating good accuracy; similar agreement is seen across the measured glucose concentration range when compared to interpolated literature values. The developed technique may contribute toward eventual noninvasive glucose measurements in medicine. (2017) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

The study of the structural properties of very low viscosity sodium alginate by small-angle neutron scattering

NASA Astrophysics Data System (ADS)

Badita, C. R.; Aranghel, D.; Radulescu, A.; Anitas, E. M.

2016-03-01

Sodium alginate is a linear polymer extract from brown algae and it is used in the biomedical, food, cosmetics and pharmaceutical industries as solution property modifiers and gelling agents. But despite the extensive studies of the alginate gelation process, still some fundamental questions remain unresolved. The fractal behavior of very low viscosity sodium alginate solutions and their influence on the critical gelation of alginate induced by Ca2+ ions were investigated using Small-Angle Neutron Scattering (SANS) measurements. SANS data are interpreted using both standard linear plots and the Beaucage model. The scattering intensity is dependent by alginate concentration and Ca2+ concentration. From a critical concentration of 1.0 % w/w our polymer swelled forming spherical structures with rough surfaces. Also the addition of the salt induces the collapse and the appearance of the aggregation and clusters formation.

Nonlinear Wave Propagation

DTIC Science & Technology

2000-03-17

scattering problem has intrinsic interest in its own right. A new class of lump type solutions of the multidimensional Kadomtsev - Petviashvili (KP) equation ...solutions associated with the Kadomtsev - Petviashvili equation have more com- plicated interaction properties than the previously known lump...B-3. New Solutions of the Nonstationary Schrödinger and Kadomtsev - Petviashvili Equations , M.J. Ablowitz and J. Villarroel, in Symmetries and

Millimeter wave scattering characteristics and radar cross section measurements of common roadway objects

NASA Astrophysics Data System (ADS)

Zoratti, Paul K.; Gilbert, R. Kent; Majewski, Ronald; Ference, Jack

1995-12-01

Development of automotive collision warning systems has progressed rapidly over the past several years. A key enabling technology for these systems is millimeter-wave radar. This paper addresses a very critical millimeter-wave radar sensing issue for automotive radar, namely the scattering characteristics of common roadway objects such as vehicles, roadsigns, and bridge overpass structures. The data presented in this paper were collected on ERIM's Fine Resolution Radar Imaging Rotary Platform Facility and processed with ERIM's image processing tools. The value of this approach is that it provides system developers with a 2D radar image from which information about individual point scatterers `within a single target' can be extracted. This information on scattering characteristics will be utilized to refine threat assessment processing algorithms and automotive radar hardware configurations. (1) By evaluating the scattering characteristics identified in the radar image, radar signatures as a function of aspect angle for common roadway objects can be established. These signatures will aid in the refinement of threat assessment processing algorithms. (2) Utilizing ERIM's image manipulation tools, total RCS and RCS as a function of range and azimuth can be extracted from the radar image data. This RCS information will be essential in defining the operational envelope (e.g. dynamic range) within which any radar sensor hardware must be designed.

Support Minimized Inversion of Acoustic and Elastic Wave Scattering

NASA Astrophysics Data System (ADS)

Safaeinili, Ali

Inversion of limited data is common in many areas of NDE such as X-ray Computed Tomography (CT), Ultrasonic and eddy current flaw characterization and imaging. In many applications, it is common to have a bias toward a solution with minimum (L^2)^2 norm without any physical justification. When it is a priori known that objects are compact as, say, with cracks and voids, by choosing "Minimum Support" functional instead of the minimum (L^2)^2 norm, an image can be obtained that is equally in agreement with the available data, while it is more consistent with what is most probably seen in the real world. We have utilized a minimum support functional to find a solution with the smallest volume. This inversion algorithm is most successful in reconstructing objects that are compact like voids and cracks. To verify this idea, we first performed a variational nonlinear inversion of acoustic backscatter data using minimum support objective function. A full nonlinear forward model was used to accurately study the effectiveness of the minimized support inversion without error due to the linear (Born) approximation. After successful inversions using a full nonlinear forward model, a linearized acoustic inversion was developed to increase speed and efficiency in imaging process. The results indicate that by using minimum support functional, we can accurately size and characterize voids and/or cracks which otherwise might be uncharacterizable. An extremely important feature of support minimized inversion is its ability to compensate for unknown absolute phase (zero-of-time). Zero-of-time ambiguity is a serious problem in the inversion of the pulse-echo data. The minimum support inversion was successfully used for the inversion of acoustic backscatter data due to compact scatterers without the knowledge of the zero-of-time. The main drawback to this type of inversion is its computer intensiveness. In order to make this type of constrained inversion available for common use, work needs to be performed in three areas: (1) exploitation of state-of-the-art parallel computation, (2) improvement of theoretical formulation of the scattering process for better computation efficiency, and (3) development of better methods for guiding the non-linear inversion. (Abstract shortened by UMI.).

Improving scattering layer through mixture of nanoporous spheres and nanoparticles in ZnO-based dye-sensitized solar cells.

PubMed

Kim, Chohui; Choi, Hongsik; Kim, Jae Ik; Lee, Sangheon; Kim, Jinhyun; Lee, Woojin; Hwang, Taehyun; Kang, Suji; Moon, Taeho; Park, Byungwoo

2014-01-01

A scattering layer is utilized by mixing nanoporous spheres and nanoparticles in ZnO-based dye-sensitized solar cells. Hundred-nanometer-sized ZnO spheres consisting of approximately 35-nm-sized nanoparticles provide not only effective light scattering but also a large surface area. Furthermore, ZnO nanoparticles are added to the scattering layer to facilitate charge transport and increase the surface area as filling up large voids. The mixed scattering layer of nanoparticles and nanoporous spheres on top of the nanoparticle-based electrode (bilayer geometry) improves solar cell efficiency by enhancing both the short-circuit current (J sc) and fill factor (FF), compared to the layer consisting of only nanoparticles or nanoporous spheres.

Photon scattering from a system of multilevel quantum emitters. I. Formalism

NASA Astrophysics Data System (ADS)

Das, Sumanta; Elfving, Vincent E.; Reiter, Florentin; Sørensen, Anders S.

2018-04-01

We introduce a formalism to solve the problem of photon scattering from a system of multilevel quantum emitters. Our approach provides a direct solution of the scattering dynamics. As such the formalism gives the scattered fields' amplitudes in the limit of a weak incident intensity. Our formalism is equipped to treat both multiemitter and multilevel emitter systems, and is applicable to a plethora of photon-scattering problems, including conditional state preparation by photodetection. In this paper, we develop the general formalism for an arbitrary geometry. In the following paper (part II) S. Das et al. [Phys. Rev. A 97, 043838 (2018), 10.1103/PhysRevA.97.043838], we reduce the general photon-scattering formalism to a form that is applicable to one-dimensional waveguides and show its applicability by considering explicit examples with various emitter configurations.

X-ray scattering data and structural genomics

NASA Astrophysics Data System (ADS)

Doniach, Sebastian

2003-03-01

High throughput structural genomics has the ambitious goal of determining the structure of all, or a very large number of protein folds using the high-resolution techniques of protein crystallography and NMR. However, the program is facing significant bottlenecks in reaching this goal, which include problems of protein expression and crystallization. In this talk, some preliminary results on how the low-resolution technique of small-angle X-ray solution scattering (SAXS) can help ameliorate some of these bottlenecks will be presented. One of the most significant bottlenecks arises from the difficulty of crystallizing integral membrane proteins, where only a handful of structures are available compared to thousands of structures for soluble proteins. By 3-dimensional reconstruction from SAXS data, the size and shape of detergent-solubilized integral membrane proteins can be characterized. This information can then be used to classify membrane proteins which constitute some 25% of all genomes. SAXS may also be used to study the dependence of interparticle interference scattering on solvent conditions so that regions of the protein solution phase diagram which favor crystallization can be elucidated. As a further application, SAXS may be used to provide physical constraints on computational methods for protein structure prediction based on primary sequence information. This in turn can help in identifying structural homologs of a given protein, which can then give clues to its function. D. Walther, F. Cohen and S. Doniach. "Reconstruction of low resolution three-dimensional density maps from one-dimensional small angle x-ray scattering data for biomolecules." J. Appl. Cryst. 33(2):350-363 (2000). Protein structure prediction constrained by solution X-ray scattering data and structural homology identification Zheng WJ, Doniach S JOURNAL OF MOLECULAR BIOLOGY , v. 316(#1) pp. 173-187 FEB 8, 2002

Numerical and experimental investigations of dependence of photoacoustic signals from gold nanoparticles on the optical properties

NASA Astrophysics Data System (ADS)

Okawa, Shinpei; Hirasawa, Takeshi; Sato, Ryota; Kushibiki, Toshihiro; Ishihara, Miya; Teranishi, Toshiharu

2018-06-01

Gold nanoparticles (AuNPs) are used as a contrast agent of the photoacoustic (PA) imaging. The efficiency of AuNPs has been discussed with the absorption cross section. However, the effects of the scattering of the light by AuNPs and surrounding medium on the PA signal from AuNPs have not been discussed. The PA signals from the aqueous solution of AuNPs were examined in the numerical simulation and the experiment. In the numerical simulation, the absorption and scattering cross sections of spherical and polyhedral AuNPs were calculated by Mie theory and discrete dipole approximation. Monte Carlo simulation calculated the absorbed light energy in the aqueous solution of AuNPs. Based on the PA wave equation, the PA signals were simulated. In the experiment, the PA signal from the aqueous solution of AuNP was measured by use of a piezoelectric film and a Q-switched Nd:YAG laser operated at 532 nm. The results of the numerical simulation and the experiment agreed well. In the numerical simulation and the experiment, a single Au nanocube with 50-nm edge generated the peak value of the PA signal significantly. It was approximately 350 times and twice as large as the peak values of the spherical AuNPs with 10- and 50-nm diameters, respectively. The peak value of the PA signal depended on both the absorption and scattering coefficients of the AuNPs and the surrounding medium. The peak value increased with the scattering coefficient in a quadratic manner. The character of the temporal profile of the PA signal such as full width at half maximum depended on the scattering coefficient of the AuNPs.

Effects of Catalytic Action and Ligand Binding on Conformational Ensembles of Adenylate Kinase.

PubMed

Onuk, Emre; Badger, John; Wang, Yu Jing; Bardhan, Jaydeep; Chishti, Yasmin; Akcakaya, Murat; Brooks, Dana H; Erdogmus, Deniz; Minh, David D L; Makowski, Lee

2017-08-29

Crystal structures of adenylate kinase (AdK) from Escherichia coli capture two states: an "open" conformation (apo) obtained in the absence of ligands and a "closed" conformation in which ligands are bound. Other AdK crystal structures suggest intermediate conformations that may lie on the transition pathway between these two states. To characterize the transition from open to closed states in solution, X-ray solution scattering data were collected from AdK in the apo form and with progressively increasing concentrations of five different ligands. Scattering data from apo AdK are consistent with scattering predicted from the crystal structure of AdK in the open conformation. In contrast, data from AdK samples saturated with Ap5A do not agree with that calculated from AdK in the closed conformation. Using cluster analysis of available structures, we selected representative structures in five conformational states: open, partially open, intermediate, partially closed, and closed. We used these structures to estimate the relative abundances of these states for each experimental condition. X-ray solution scattering data obtained from AdK with AMP are dominated by scattering from AdK in the open conformation. For AdK in the presence of high concentrations of ATP and ADP, the conformational ensemble shifts to a mixture of partially open and closed states. Even when AdK is saturated with Ap5A, a significant proportion of AdK remains in a partially open conformation. These results are consistent with an induced-fit model in which the transition of AdK from an open state to a closed state is initiated by ATP binding.

Numerical and experimental investigations of dependence of photoacoustic signals from gold nanoparticles on the optical properties

NASA Astrophysics Data System (ADS)

Okawa, Shinpei; Hirasawa, Takeshi; Sato, Ryota; Kushibiki, Toshihiro; Ishihara, Miya; Teranishi, Toshiharu

2018-04-01

Gold nanoparticles (AuNPs) are used as a contrast agent of the photoacoustic (PA) imaging. The efficiency of AuNPs has been discussed with the absorption cross section. However, the effects of the scattering of the light by AuNPs and surrounding medium on the PA signal from AuNPs have not been discussed. The PA signals from the aqueous solution of AuNPs were examined in the numerical simulation and the experiment. In the numerical simulation, the absorption and scattering cross sections of spherical and polyhedral AuNPs were calculated by Mie theory and discrete dipole approximation. Monte Carlo simulation calculated the absorbed light energy in the aqueous solution of AuNPs. Based on the PA wave equation, the PA signals were simulated. In the experiment, the PA signal from the aqueous solution of AuNP was measured by use of a piezoelectric film and a Q-switched Nd:YAG laser operated at 532 nm. The results of the numerical simulation and the experiment agreed well. In the numerical simulation and the experiment, a single Au nanocube with 50-nm edge generated the peak value of the PA signal significantly. It was approximately 350 times and twice as large as the peak values of the spherical AuNPs with 10- and 50-nm diameters, respectively. The peak value of the PA signal depended on both the absorption and scattering coefficients of the AuNPs and the surrounding medium. The peak value increased with the scattering coefficient in a quadratic manner. The character of the temporal profile of the PA signal such as full width at half maximum depended on the scattering coefficient of the AuNPs.

Measured neutron and gamma spectra from californium-252 in a tissue-equivalent medium.

PubMed

Elson, H R; Stupar, T A; Shapiro, A; Kereiakes, J G

1979-01-01

A method of experimentally obtaining both neutron and gamma-ray spectra in a scattering medium is described. The method utilizes a liquid-organic scintillator (NE-213) coupled with a pulse-shape discrimination circuit. This allows the separation of the neutron-induced pulse-height data from the gamma-ray pulse-height data. Using mathematical unfolding techniques, the two sets of pulse-height data were transformed to obtain the neutron and gamma-ray energy spectra. A small spherical detector was designed and constructed to reduce the errors incurred by attempting spectral measurements in a scattering medium. Demonstration of the utility of the system to obtain the neutron and gamma-ray spectra in a scattering medium was performed by characterizing the neutron and gamma-ray spectra at various sites about a 3.7-microgram (1.5 cm active length) californium-252 source in a tissue-equivalent medium.

Use of dynamic light scattering and small-angle X-ray scattering to characterize new surfactants in solution conditions for membrane-protein crystallization

PubMed Central

Dahani, Mohamed; Barret, Laurie-Anne; Raynal, Simon; Jungas, Colette; Pernot, Pétra; Polidori, Ange; Bonneté, Françoise

2015-01-01

The structural and interactive properties of two novel hemifluorinated surfactants, F2H9-β-M and F4H5-β-M, the syntheses of which were based on the structure and hydrophobicity of the well known dodecyl-β-maltoside (DD-β-M), are described. The shape of their micellar assemblies was characterized by small-angle X-ray scattering and their intermicellar inter­actions in crystallizing conditions were measured by dynamic light scattering. Such information is essential for surfactant phase-diagram determination and membrane-protein crystallization. PMID:26144228

The electron-spin--nuclear-spin interaction studied by polarized neutron scattering.

PubMed

Stuhrmann, Heinrich B

2007-11-01

Dynamic nuclear spin polarization (DNP) is mediated by the dipolar interaction of paramagnetic centres with nuclear spins. This process is most likely to occur near paramagnetic centres at an angle close to 45 degrees with respect to the direction of the external magnetic field. The resulting distribution of polarized nuclear spins leads to an anisotropy of the polarized neutron scattering pattern, even with randomly oriented radical molecules. The corresponding cross section of polarized coherent neutron scattering in terms of a multipole expansion is derived for radical molecules in solution. An application using data of time-resolved polarized neutron scattering from an organic chromium(V) molecule is tested.

Scattering by a slab containing randomly located cylinders: comparison between radiative transfer and electromagnetic simulation.

PubMed

Roux, L; Mareschal, P; Vukadinovic, N; Thibaud, J B; Greffet, J J

2001-02-01

This study is devoted to the examination of scattering of waves by a slab containing randomly located cylinders. For the first time to our knowledge, the complete transmission problem has been solved numerically. We have compared the radiative transfer theory with a numerical solution of the wave equation. We discuss the coherent effects, such as forward-scattering dip and backscattering enhancement. It is seen that the radiative transfer equation can be used with great accuracy even for optically thin systems whose geometric thickness is comparable with the wavelength. We have also shown the presence of dependent scattering.

Inverse scattering transform and soliton classification of the coupled modified Korteweg-de Vries equation

NASA Astrophysics Data System (ADS)

Wu, Jianping; Geng, Xianguo

2017-12-01

The inverse scattering transform of the coupled modified Korteweg-de Vries equation is studied by the Riemann-Hilbert approach. In the direct scattering process, the spectral analysis of the Lax pair is performed, from which a Riemann-Hilbert problem is established for the equation. In the inverse scattering process, by solving Riemann-Hilbert problems corresponding to the reflectionless cases, three types of multi-soliton solutions are obtained. The multi-soliton classification is based on the zero structures of the Riemann-Hilbert problem. In addition, some figures are given to illustrate the soliton characteristics of the coupled modified Korteweg-de Vries equation.

Basis for calculating cross sections for nuclear magnetic resonance spin-modulated polarized neutron scattering.

PubMed

Kotlarchyk, Michael; Thurston, George M

2016-12-28

In this work we study the potential for utilizing the scattering of polarized neutrons from nuclei whose spin has been modulated using nuclear magnetic resonance (NMR). From first principles, we present an in-depth development of the differential scattering cross sections that would arise in such measurements from a hypothetical target system containing nuclei with non-zero spins. In particular, we investigate the modulation of the polarized scattering cross sections following the application of radio frequency pulses that impart initial transverse rotations to selected sets of spin-1/2 nuclei. The long-term aim is to provide a foundational treatment of the scattering cross section associated with enhancing scattering signals from selected nuclei using NMR techniques, thus employing minimal chemical or isotopic alterations, so as to advance the knowledge of macromolecular or liquid structure.

The solution of Cauchy's problem for the Toda lattice with limit periodic initial data

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khanmamedov, A Kh

Cauchy's problem for Toda lattices with initial data equal to the sum of a periodic and a rapidly decreasing sequence is solved with the use of the inverse scattering method. A method allowing one to find a limit periodic solution of the Toda lattice from a known periodic solution is described. The existence and uniqueness of a limit periodic solution is proved. Bibliography: 17 titles.

Plenoptic wavefront sensor with scattering pupil.

PubMed

Vdovin, Gleb; Soloviev, Oleg; Loktev, Mikhail

2014-04-21

We consider a wavefront sensor combining scattering pupil with a plenoptic imager. Such a sensor utilizes the same reconstruction principle as the Hartmann-Shack sensor, however it is free from the ambiguity of the spot location caused by the periodic structure of the sensor matrix, and allows for wider range of measured aberrations. In our study, sensor with scattering pupil has demonstrated a good match between the introduced and reconstructed aberrations, both in the simulation and experiment. The concept is expected to be applicable to optical metrology of strongly distorted wavefronts, especially for measurements through dirty, distorted, or scattering windows and pupils, such as cataract eyes.

Vibrational excitation and vibrationally resolved electronic excitation cross sections of positron-H2 scattering

NASA Astrophysics Data System (ADS)

Zammit, Mark; Fursa, Dmitry; Savage, Jeremy; Bray, Igor

2016-09-01

Vibrational excitation and vibrationally resolved electronic excitation cross sections of positron-H2 scattering have been calculated using the single-centre molecular convergent close-coupling (CCC) method. The adiabatic-nuclei approximation was utilized to model the above scattering processes and obtain the vibrationally resolved positron-H2 scattering length. As previously demonstrated, the CCC results are converged and accurately account for virtual and physical positronium formation by coupling basis functions with large orbital angular momentum. Here vibrationally resolved integrated and differential cross sections are presented over a wide energy range and compared with previous calculations and available experiments. Los Alamos National Laboratory and Curtin University.

Statistical-thermodynamic model for light scattering from eye lens protein mixtures

NASA Astrophysics Data System (ADS)

Bell, Michael M.; Ross, David S.; Bautista, Maurino P.; Shahmohamad, Hossein; Langner, Andreas; Hamilton, John F.; Lahnovych, Carrie N.; Thurston, George M.

2017-02-01

We model light-scattering cross sections of concentrated aqueous mixtures of the bovine eye lens proteins γB- and α-crystallin by adapting a statistical-thermodynamic model of mixtures of spheres with short-range attractions. The model reproduces measured static light scattering cross sections, or Rayleigh ratios, of γB-α mixtures from dilute concentrations where light scattering intensity depends on molecular weights and virial coefficients, to realistically high concentration protein mixtures like those of the lens. The model relates γB-γB and γB-α attraction strengths and the γB-α size ratio to the free energy curvatures that set light scattering efficiency in tandem with protein refractive index increments. The model includes (i) hard-sphere α-α interactions, which create short-range order and transparency at high protein concentrations, (ii) short-range attractive plus hard-core γ-γ interactions, which produce intense light scattering and liquid-liquid phase separation in aqueous γ-crystallin solutions, and (iii) short-range attractive plus hard-core γ-α interactions, which strongly influence highly non-additive light scattering and phase separation in concentrated γ-α mixtures. The model reveals a new lens transparency mechanism, that prominent equilibrium composition fluctuations can be perpendicular to the refractive index gradient. The model reproduces the concave-up dependence of the Rayleigh ratio on α/γ composition at high concentrations, its concave-down nature at intermediate concentrations, non-monotonic dependence of light scattering on γ-α attraction strength, and more intricate, temperature-dependent features. We analytically compute the mixed virial series for light scattering efficiency through third order for the sticky-sphere mixture, and find that the full model represents the available light scattering data at concentrations several times those where the second and third mixed virial contributions fail. The model indicates that increased γ-γ attraction can raise γ-α mixture light scattering far more than it does for solutions of γ-crystallin alone, and can produce marked turbidity tens of degrees celsius above liquid-liquid separation.

An Investigation of the Distribution of Radiation Scattered by Optical Surfaces

DTIC Science & Technology

1975-08-01

Profile Inversion Workshop, Ames Research Center, Moffett Field, California, L. Colin, ed., pp. 6-34 to 6-37 ( NASA TM X-62, 150). (Available from th...Surface EM Scattering Solutions," IEEE Trans. AP-21:393-396. Judd, D. B., 1967, "Terms, Definitions, and Symbols in Reflectometry ," J. Opt. Soc. Am. 57:445

Trace Detection of Metalloporphyrin-Based Coordination Polymer Particles via Modified Surface-Enhanced Raman Scattering Assisted by Surface Metallization.

PubMed

Sun, Yu; Caravella, Alessio

2016-01-01

This study proposed a facile method to detect metalloporphyrin-based coordination polymer particles (Z-CPPs) in aqueous solution by modified surface-enhanced Raman scattering (SERS). The SERS-active particles are photodeposited on the surface of Z-CPPs, offering an enhanced Raman signal for the trace detection of Z-CPPs.

Solution of the Wang Chang-Uhlenbeck equation for molecular hydrogen

NASA Astrophysics Data System (ADS)

Anikin, Yu. A.

2017-06-01

Molecular hydrogen is modeled by numerically solving the Wang Chang-Uhlenbeck equation. The differential scattering cross sections of molecules are calculated using the quantum mechanical scattering theory of rigid rotors. The collision integral is computed by applying a fully conservative projection method. Numerical results for relaxation, heat conduction, and a one-dimensional shock wave are presented.

The Scattering of Partially Coherent Electromagnetic Beam Illumination from Statistically Rough Surfaces

DTIC Science & Technology

2014-06-19

scattering research performed by the radio - frequency /microwave and visible/near-infrared communities for synthetic aperture radar and remote...Rough Surfaces with Arbitrary Slope and Frequency ,” IEEE Trans. Antennas Propag. 28, 11 - 21 (1980). 76. E. Bahar, “Full-Wave Solutions for the...equations ..................................................................................... 11 2.2.1 Electric-field integral equations

SoftWAXS: a computational tool for modeling wide-angle X-ray solution scattering from biomolecules.

PubMed

Bardhan, Jaydeep; Park, Sanghyun; Makowski, Lee

2009-10-01

This paper describes a computational approach to estimating wide-angle X-ray solution scattering (WAXS) from proteins, which has been implemented in a computer program called SoftWAXS. The accuracy and efficiency of SoftWAXS are analyzed for analytically solvable model problems as well as for proteins. Key features of the approach include a numerical procedure for performing the required spherical averaging and explicit representation of the solute-solvent boundary and the surface of the hydration layer. These features allow the Fourier transform of the excluded volume and hydration layer to be computed directly and with high accuracy. This approach will allow future investigation of different treatments of the electron density in the hydration shell. Numerical results illustrate the differences between this approach to modeling the excluded volume and a widely used model that treats the excluded-volume function as a sum of Gaussians representing the individual atomic excluded volumes. Comparison of the results obtained here with those from explicit-solvent molecular dynamics clarifies shortcomings inherent to the representation of solvent as a time-averaged electron-density profile. In addition, an assessment is made of how the calculated scattering patterns depend on input parameters such as the solute-atom radii, the width of the hydration shell and the hydration-layer contrast. These results suggest that obtaining predictive calculations of high-resolution WAXS patterns may require sophisticated treatments of solvent.

Physical properties of aqueous solutions of a thermo-responsive neutral copolymer and an anionic surfactant: turbidity and small-angle neutron scattering studies.

PubMed

Galant, Céline; Kjøniksen, Anna-Lena; Knudsen, Kenneth D; Helgesen, Geir; Lund, Reidar; Laukkanen, Antti; Tenhu, Heikki; Nyström, Bo

2005-08-16

Aqueous mixtures of the anionic sodium dodecyl sulfate (SDS) surfactant and thermo-responsive poly(N-vinylcaprolactam) chains grafted with omega-methoxy poly(ethylene oxide) undecyl alpha-methacrylate (PVCL-g-C11EO42) have been characterized using turbidimetry and small-angle neutron scattering (SANS). Turbidity measurements show that the addition of SDS to a dilute aqueous copolymer solution (1.0 wt %) induces an increase of the cloud point (CP) value and a decrease of the turbidity at high temperatures. In parallel, SANS results show a decrease of both the average distance between chains and the global size of the objects in solution at high temperatures as the SDS concentration is increased. Combination of these findings reveals that the presence of SDS in the PVCL-g-C11EO42 solutions (1.0 wt %) promotes the formation of smaller aggregates and, consequently, leads to a more homogeneous distribution of the chains in solution upon heating of the mixtures. Moreover, the SANS data results show that the internal structure of the formed aggregates becomes more swollen as the SDS concentration increases. On the other hand, the addition of moderate amounts of SDS (up to 4 mm) to a semidilute copolymer solution (5.0 wt %) gives rise to a more pronounced aggregation as the temperature rises; turbidity and SANS studies reveal in this case a decrease of the CP value and an increase of the scattered intensity at low q. The overall picture that emerges from this study is that the degree of aggregation can be accurately tuned by varying parameters such as the temperature, level of surfactant addition, and polymer concentration.

The problem of scattering in fibre-fed VPH spectrographs and possible solutions

NASA Astrophysics Data System (ADS)

Ellis, S. C.; Saunders, Will; Betters, Chris; Croom, Scott

2014-07-01

All spectrographs unavoidably scatter light. Scattering in the spectral direction is problematic for sky subtraction, since atmospheric spectral lines are blurred. Scattering in the spatial direction is problematic for fibre fed spectrographs, since it limits how closely fibres can be packed together. We investigate the nature of this scattering and show that the scattering wings have both a Lorentzian component, and a shallower (1/r) component. We investigate the causes of this from a theoretical perspective, and argue that for the spectral PSF the Lorentzian wings are in part due to the profile of the illumination of the pupil of the spectrograph onto the diffraction grating, whereas the shallower component is from bulk scattering. We then investigate ways to mitigate the diffractive scattering by apodising the pupil. In the ideal case of a Gaussian apodised pupil, the scattering can be significantly improved. Finally we look at realistic models of the spectrograph pupils of fibre fed spectrographs with a centrally obstructed telescope, and show that it is possible to apodise the pupil through non-telecentric injection into the fibre.

Autofluorescence detection and imaging of bladder cancer realized through a cystoscope

DOEpatents

Demos, Stavros G [Livermore, CA; deVere White, Ralph W [Sacramento, CA

2007-08-14

Near infrared imaging using elastic light scattering and tissue autofluorescence and utilizing interior examination techniques and equipment are explored for medical applications. The approach involves imaging using cross-polarized elastic light scattering and/or tissue autofluorescence in the Near Infra-Red (NIR) coupled with image processing and inter-image operations to differentiate human tissue components.

Enhanced optical rotation and diminished depolarization in diffusive scattering from a chiral liquid

NASA Astrophysics Data System (ADS)

Silverman, M. P.; Strange, Wayne; Badoz, J.; Vitkin, I. A.

1996-02-01

Optical rotation and degree of polarization of linearly polarized light were observed by forward, lateral, and back scattering from solutions of D-glucose containing a dispersion of micron-size polystyrene spheres. Rotations increased linearly with glucose concentration at a rate determined by the microsphere concentration and were large even at optical thicknesses sufficiently great to extinguish transmission of the incident beam. Depolarization of light with increasing microsphere concentration occurred at a much slower rate in chiral glucose solution than in pure water. These experiments suggest new possibilities for studying turbid chiral media for which light transmission and specular reflection techniques are inappropriate.

Dynamical properties in supercooling liquid of trehalose aqueous solution studied by Brillouin scattering

NASA Astrophysics Data System (ADS)

Shibata, Tomohiko; Tominaga, Ayane; Takayama, Haruki; Kojima, Seiji

2013-02-01

Brillouin scattering spectroscopy has been applied to study the dynamical properties of glass transition of trehalose aqueous solutions in a high-frequency gigahertz range and in the temperature range (-190°C ≤ T ≤ 100°C). The temperature variations of sound velocity and attenuation were accurately determined using the refractive index measured by a prism-coupling method. The temperature dependence of relaxation time of the structural relaxation process was determined by the Debye model. Its temperature dependence shows Arrhenius behavior in a liquid state. The parameters of Arrhenius law were also determined as a function of trehalose concentration.

Extinction efficiencies from DDA calculations solved for finite circular cylinders and disks

NASA Technical Reports Server (NTRS)

Withrow, J. R.; Cox, S. K.

1993-01-01

One of the most commonly noted uncertainties with respect to the modeling of cirrus clouds and their effect upon the planetary radiation balance is the disputed validity of the use of Mie scattering results as an approximation to the scattering results of the hexagonal plates and columns found in cirrus clouds. This approximation has historically been a kind of default, a result of the lack of an appropriate analytical solution of Maxwell's equations to particles other than infinite cylinders and spheroids. Recently, however, the use of such approximate techniques as the Discrete Dipole Approximation has made scattering solutions on such particles a computationally intensive but feasible possibility. In this study, the Discrete Dipole Approximation (DDA) developed by Flatau (1992) is used to find such solutions for homogeneous, circular cylinders and disks. This can serve to not only assess the validity of the current radiative transfer schemes which are available for the study of cirrus but also to extend the current approximation of equivalent spheres to an approximation of second order, homogeneous finite circular cylinders and disks. The results will be presented in the form of a single variable, the extinction efficiency.

Conformational analysis of the Streptococcus pneumoniae hyaluronate lyase and characterization of its hyaluronan-specific carbohydrate-binding module.

PubMed

Suits, Michael D L; Pluvinage, Benjamin; Law, Adrienne; Liu, Yan; Palma, Angelina S; Chai, Wengang; Feizi, Ten; Boraston, Alisdair B

2014-09-26

For a subset of pathogenic microorganisms, including Streptococcus pneumoniae, the recognition and degradation of host hyaluronan contributes to bacterial spreading through the extracellular matrix and enhancing access to host cell surfaces. The hyaluronate lyase (Hyl) presented on the surface of S. pneumoniae performs this role. Using glycan microarray screening, affinity electrophoresis, and isothermal titration calorimetry we show that the N-terminal module of Hyl is a hyaluronan-specific carbohydrate-binding module (CBM) and the founding member of CBM family 70. The 1.2 Å resolution x-ray crystal structure of CBM70 revealed it to have a β-sandwich fold, similar to other CBMs. The electrostatic properties of the binding site, which was identified by site-directed mutagenesis, are distinct from other CBMs and complementary to its acidic ligand, hyaluronan. Dynamic light scattering and solution small angle x-ray scattering revealed the full-length Hyl protein to exist as a monomer/dimer mixture in solution. Through a detailed analysis of the small angle x-ray scattering data, we report the pseudoatomic solution structures of the monomer and dimer forms of the full-length multimodular Hyl. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

Determination of the conformational ensemble of the TAR RNA by X-ray scattering interferometry.

PubMed

Shi, Xuesong; Walker, Peter; Harbury, Pehr B; Herschlag, Daniel

2017-05-05

The conformational ensembles of structured RNA's are crucial for biological function, but they remain difficult to elucidate experimentally. We demonstrate with HIV-1 TAR RNA that X-ray scattering interferometry (XSI) can be used to determine RNA conformational ensembles. X-ray scattering interferometry (XSI) is based on site-specifically labeling RNA with pairs of heavy atom probes, and precisely measuring the distribution of inter-probe distances that arise from a heterogeneous mixture of RNA solution structures. We show that the XSI-based model of the TAR RNA ensemble closely resembles an independent model derived from NMR-RDC data. Further, we show how the TAR RNA ensemble changes shape at different salt concentrations. Finally, we demonstrate that a single hybrid model of the TAR RNA ensemble simultaneously fits both the XSI and NMR-RDC data set and show that XSI can be combined with NMR-RDC to further improve the quality of the determined ensemble. The results suggest that XSI-RNA will be a powerful approach for characterizing the solution conformational ensembles of RNAs and RNA-protein complexes under diverse solution conditions. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

Solution of cavity resonance and waveguide scattering problems using the eigenmode projection technique

NASA Astrophysics Data System (ADS)

Nasr, Mamdouh H.; Othman, Mohamed A. K.; Eshrah, Islam A.; Abuelfadl, Tamer M.

2017-04-01

New developments in the eigenmode projection technique (EPT) are introduced in solving problems of electromagnetic resonance in closed cavities as well as scattering from discontinuities in guided-wave structures. The EPT invokes the eigenmodes of a canonical predefined cavity in the solution procedure and uses the expansion of these eigenmodes to solve Maxwell's equations, in conjunction with a convenient choice of port boundary conditions. For closed cavities, a new spurious-mode separation method is developed, showing robust and efficient spurious-mode separation. This has been tested using more complex and practical examples demonstrating the powerful use of the presented approach. For waveguide scattering problems, convergence studies are being performed showing stable solutions for a relatively small number of expansion modes, and the proposed method has advantages over conventional solvers in analyzing electromagnetic problems with inhomogeneous materials. These convergence studies also lead to an efficient rule-of-thumb for the number of modes to be used in the simulation. The ability to handle closed and open structures is presented in a unified framework that highlights the generality of the EPT which could be used to analyze and design a variety of microwave components.

Comparison with CLPX II airborne data using DMRT model

USGS Publications Warehouse

Xu, X.; Liang, D.; Andreadis, K.M.; Tsang, L.; Josberger, E.G.

2009-01-01

In this paper, we considered a physical-based model which use numerical solution of Maxwell Equations in three-dimensional simulations and apply into Dense Media Radiative Theory (DMRT). The model is validated in two specific dataset from the second Cold Land Processes Experiment (CLPX II) at Alaska and Colorado. The data were all obtain by the Ku-band (13.95GHz) observations using airborne imaging polarimetric scatterometer (POLSCAT). Snow is a densely packed media. To take into account the collective scattering and incoherent scattering, analytical Quasi-Crystalline Approximation (QCA) and Numerical Maxwell Equation Method of 3-D simulation (NMM3D) are used to calculate the extinction coefficient and phase matrix. DMRT equations were solved by iterative solution up to 2nd order for the case of small optical thickness and full multiple scattering solution by decomposing the diffuse intensities into Fourier series was used when optical thickness exceed unity. It was shown that the model predictions agree with the field experiment not only co-polarization but also cross-polarization. For Alaska region, the input snow structure data was obtain by the in situ ground observations, while for Colorado region, we combined the VIC model to get the snow profile. ??2009 IEEE.

TRUST. I. A 3D externally illuminated slab benchmark for dust radiative transfer

NASA Astrophysics Data System (ADS)

Gordon, K. D.; Baes, M.; Bianchi, S.; Camps, P.; Juvela, M.; Kuiper, R.; Lunttila, T.; Misselt, K. A.; Natale, G.; Robitaille, T.; Steinacker, J.

2017-07-01

Context. The radiative transport of photons through arbitrary three-dimensional (3D) structures of dust is a challenging problem due to the anisotropic scattering of dust grains and strong coupling between different spatial regions. The radiative transfer problem in 3D is solved using Monte Carlo or Ray Tracing techniques as no full analytic solution exists for the true 3D structures. Aims: We provide the first 3D dust radiative transfer benchmark composed of a slab of dust with uniform density externally illuminated by a star. This simple 3D benchmark is explicitly formulated to provide tests of the different components of the radiative transfer problem including dust absorption, scattering, and emission. Methods: The details of the external star, the slab itself, and the dust properties are provided. This benchmark includes models with a range of dust optical depths fully probing cases that are optically thin at all wavelengths to optically thick at most wavelengths. The dust properties adopted are characteristic of the diffuse Milky Way interstellar medium. This benchmark includes solutions for the full dust emission including single photon (stochastic) heating as well as two simplifying approximations: One where all grains are considered in equilibrium with the radiation field and one where the emission is from a single effective grain with size-distribution-averaged properties. A total of six Monte Carlo codes and one Ray Tracing code provide solutions to this benchmark. Results: The solution to this benchmark is given as global spectral energy distributions (SEDs) and images at select diagnostic wavelengths from the ultraviolet through the infrared. Comparison of the results revealed that the global SEDs are consistent on average to a few percent for all but the scattered stellar flux at very high optical depths. The image results are consistent within 10%, again except for the stellar scattered flux at very high optical depths. The lack of agreement between different codes of the scattered flux at high optical depths is quantified for the first time. Convergence tests using one of the Monte Carlo codes illustrate the sensitivity of the solutions to various model parameters. Conclusions: We provide the first 3D dust radiative transfer benchmark and validate the accuracy of this benchmark through comparisons between multiple independent codes and detailed convergence tests.

A General Approach to Access Morphologies of Polyoxometalates in Solution by Using SAXS: An Ab Initio Modeling Protocol.

PubMed

Li, Mu; Wang, Weiyu; Yin, Panchao

2018-05-02

Herein, we reported a general protocol for an ab initio modeling approach to deduce structure information of polyoxometalates (POMs) in solutions from scattering data collected by the small-angle X-ray scattering (SAXS) technique. To validate the protocol, the morphologies of a serious of known POMs in either aqueous or organic solvents were analyzed. The obtained particle morphologies were compared and confirmed with previous reported crystal structures. To extend the feasibility of the protocol to an unknown system of aqueous solutions of Na 2 MoO 4 with the pH ranging from -1 to 8.35, the formation of {Mo 36 } clusters was probed, identified, and confirmed by SAXS. The approach was further optimized with a multi-processing capability to achieve fast analysis of experimental data, thereby, facilitating in situ studies of formations of POMs in solutions. The advantage of this approach is to generate intuitive 3D models of POMs in solutions without confining information such as symmetries and possible sizes. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Impact of Colloidal Silica on Silicone Oil-Silica Mixed Antifoams

NASA Astrophysics Data System (ADS)

Yuan, Zheng

Antifoams are utilized as an industrial additive to control undesired foam during processing. This study focuses on the impact of silica on the antifoam stability. Antifoam stability refers to the ability to maintain efficiency in foam destruction after prolonged shelf storage. Common antifoams are a mixture of hydrophobic silica particles and silicone oil. Based on the general mechanisms of antifoam action discussed in Chapter 1, silica particles play a significant role in foam destruction. Silica particles contribute to foam control by facilitating the entry and the penetration depth of oil-silica globules into surfactant-water films (foam bubble walls). The size, morphology and hydrophobicity of silica can be manipulated to generate optimal antifoam globules. For example, the two silicas with good shelf life performance (8375 and 9512) had the largest silica particles and both showed a tendency to aggregate in toluene solution. We conclude that improved shelf life is related to the propensity of PDMS oil to adsorb on silica, which leads to aggregation and particle size increase. We measured the time-evolution of dynamic light scattering (DLS) from 3-vol% antifoam dissolved in toluene (Chapter 2). For the sample with the largest hydrodynamic radius (9512) the scattered intensity decreased significantly after applying ultrasonic dispersion. Decreasing intensity also occurred for 8375 albeit at later times. The decrease of intensity is attributed to the growth and precipitation of oil-silica globules. The concentration dependence of light scattering confirmed the growth-precipitation hypothesis. FT-IR (Chapter 3) was consistent with precipitation due to oil adsorption, but the data were not definitive. Chapter 4 examines the time-evolution of silica structures by static light scattering and X-ray scattering. The combined data are consistent with a hierarchical structure for silica. Agglomeration occurred fastest for 9512, which is consistent with DLS observations above. The last chapter concludes that PDMS-silica adhesion controls antifoam stability. The decline in performance with shelf-life aging is attributed to loss of hydrophobicity of silica, which could be due to adsorption of surfactants or some chemical alteration of the hydrophobic silica surface.

An analytically solvable three-body break-up model problem in hyperspherical coordinates

NASA Astrophysics Data System (ADS)

Ancarani, L. U.; Gasaneo, G.; Mitnik, D. M.

2012-10-01

An analytically solvable S-wave model for three particles break-up processes is presented. The scattering process is represented by a non-homogeneous Coulombic Schrödinger equation where the driven term is given by a Coulomb-like interaction multiplied by the product of a continuum wave function and a bound state in the particles coordinates. The closed form solution is derived in hyperspherical coordinates leading to an analytic expression for the associated scattering transition amplitude. The proposed scattering model contains most of the difficulties encountered in real three-body scattering problem, e.g., non-separability in the electrons' spherical coordinates and Coulombic asymptotic behavior. Since the coordinates' coupling is completely different, the model provides an alternative test to that given by the Temkin-Poet model. The knowledge of the analytic solution provides an interesting benchmark to test numerical methods dealing with the double continuum, in particular in the asymptotic regions. An hyperspherical Sturmian approach recently developed for three-body collisional problems is used to reproduce to high accuracy the analytical results. In addition to this, we generalized the model generating an approximate wave function possessing the correct radial asymptotic behavior corresponding to an S-wave three-body Coulomb problem. The model allows us to explore the typical structure of the solution of a three-body driven equation, to identify three regions (the driven, the Coulombic and the asymptotic), and to analyze how far one has to go to extract the transition amplitude.

Multi-modality analysis of glucose aqueous solution using photoacoustic and dielectric spectroscopy for non-invasive glucose monitoring

NASA Astrophysics Data System (ADS)

Tajima, Takuro; Tanaka, Yujiro; Nakamura, Masahito; Seyama, Michiko

2017-03-01

Quantitative analysis of glucose using conventional optical spectroscopy suffers from a lack of repeatability due to high optical scattering in skin tissue. Here we present a multi-modality analysis of glucose aqueous solution using photoacoustic spectroscopy (PAS) and broadband dielectric spectroscopy (BDS). These techniques involve the direct detection of the acoustic and electromagnetic waves propagating through or reflecting from tissue without their being scattered. They therefore have potential for better tolerance to the variation of scattering. For PAS, to differentiate signals induced by water absorption, we select another laser wavelength (1.38 μm) that exhibits the same absorbance for water at 1.61 μm. Furthermore, one of the two photoacoustic signals is used to normalize the variations of acoustic properties in differential signal. Measured results for glucose solutions (0-2 g/dL) showed that the differential signal has a sensitivity of 1.61%/g·dL-1 and a detection limit of 120 mg/dL. We also tested glucose detection with BDS (500 MHz to 50 GHz) by detecting glucose hydration bonding at around 10-20 GHz. Using a partial least square analysis and first derivation on broadband spectra, we obtained an RMS error 19 mg/dL and a detection limit of 59 mg/dL. Using both the low-scattering ultrasonic and microwave detection techniques, we successfully captured the glucose footprint in the physiological range.

Testing near-infrared spectrophotometry using a liquid neonatal head phantom

NASA Astrophysics Data System (ADS)

Wolf, Martin; Baenziger, Oskar; Keel, Matthias; Dietz, Vera; von Siebenthal, Kurt; Bucher, Hans U.

1998-12-01

We constructed a liquid phantom, which mimics the neonatal head for testing near infrared spectrophotometry instruments. It consists of a spherical, 3.5 mm thick layer of silicone rubber simulating skin and bone and acts as container for a liquid solution with IntralipidTM, 60 micrometers ol/l haemoglobin and yeast. The IntralipidTM concentration was varied to test the influence of scattering on haemoglobin concentrations and tissue oxygenation determined by the Critikon 2020. The solution was oxygenated using pure oxygen and then deoxygenated by the yeast. For the instruments algorithm, we found with increasing scattering (0.5%, 1%, 1.5% and 2% IntralipidTM concentration) an increasing offset added to the oxy- (56.7, 90.8, 112.5, 145.2 micrometers ol/l respectively) and deoxyhaemoglobin (25.4, 44.3, 58.5, 65.9 micrometers ol/l) concentration causing a decreasing range (41.3, 31.3, 25.0, 22.2%) of the tissue oxygen saturation reading. However, concentration changes were quantified correctly independently of the scattering level. For an other algorithm based on the analytical solution the offsets were smaller: oxyhaemoglobin 12.2, 34.0, 53.2, 88.8 micrometers ol/l and deoxyhaemoglobin 1.6, 11.2, 22.2, 28.1 micrometers ol/l. The range of the tissue oxygen saturation reading was higher: 71.3, 55.5, 45.7, 39.4%. However, concentration changes were not quantified correctly and depended on scattering. This study demonstrates the need to develop algorithms, which take into consideration the anatomical structures.

Ion aggregation in high salt solutions. III. Computational vibrational spectroscopy of HDO in aqueous salt solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Choi, Jun-Ho; Lim, Sohee; Chon, Bonghwan

The vibrational frequency, frequency fluctuation dynamics, and transition dipole moment of the O—D stretch mode of HDO molecule in aqueous solutions are strongly dependent on its local electrostatic environment and hydrogen-bond network structure. Therefore, the time-resolved vibrational spectroscopy the O—D stretch mode has been particularly used to investigate specific ion effects on water structure. Despite prolonged efforts to understand the interplay of O—D vibrational dynamics with local water hydrogen-bond network and ion aggregate structures in high salt solutions, still there exists a gap between theory and experiment due to a lack of quantitative model for accurately describing O—D stretch frequencymore » in high salt solutions. To fill this gap, we have performed numerical simulations of Raman scattering and IR absorption spectra of the O—D stretch mode of HDO in highly concentrated NaCl and KSCN solutions and compared them with experimental results. Carrying out extensive quantum chemistry calculations on not only water clusters but also ion-water clusters, we first developed a distributed vibrational solvatochromic charge model for the O—D stretch mode in aqueous salt solutions. Furthermore, the non-Condon effect on the vibrational transition dipole moment of the O—D stretch mode was fully taken into consideration with the charge response kernel that is non-local polarizability density. From the fluctuating O—D stretch mode frequencies and transition dipole vectors obtained from the molecular dynamics simulations, the O—D stretch Raman scattering and IR absorption spectra of HDO in salt solutions could be calculated. The polarization effect on the transition dipole vector of the O—D stretch mode is shown to be important and the asymmetric line shapes of the O—D stretch Raman scattering and IR absorption spectra of HDO especially in highly concentrated NaCl and KSCN solutions are in quantitative agreement with experimental results. We anticipate that this computational approach will be of critical use in interpreting linear and nonlinear vibrational spectroscopies of HDO molecule that is considered as an excellent local probe for monitoring local electrostatic and hydrogen-bonding environment in not just salt but also other confined and crowded solutions.« less

Development of Thin-film Dye-sensitized Photoactive Materials on Ultra High Molecular Weight Polyethylene

DTIC Science & Technology

2012-04-01

although it is used as a base in most paints due to its light scattering ability. In general, a pure anatase TiO2 nanostructure is preferred over...solution, 0.1%, 0.5%, and 1% of pristine graphene was added to each solution. The solution was then stirred for 15 min and then sonicated for 20 min

Exact expressions and accurate approximations for the dependences of radius and index of refraction of solutions of inorganic solutes on relative humidity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lewis, E.R.; Schwartz, S.

2010-03-15

Light scattering by aerosols plays an important role in Earth’s radiative balance, and quantification of this phenomenon is important in understanding and accounting for anthropogenic influences on Earth’s climate. Light scattering by an aerosol particle is determined by its radius and index of refraction, and for aerosol particles that are hygroscopic, both of these quantities vary with relative humidity RH. Here exact expressions are derived for the dependences of the radius ratio (relative to the volume-equivalent dry radius) and index of refraction on RH for aqueous solutions of single solutes. Both of these quantities depend on the apparent molal volumemore » of the solute in solution and on the practical osmotic coefficient of the solution, which in turn depend on concentration and thus implicitly on RH. Simple but accurate approximations are also presented for the RH dependences of both radius ratio and index of refraction for several atmospherically important inorganic solutes over the entire range of RH values for which these substances can exist as solution drops. For all substances considered, the radius ratio is accurate to within a few percent, and the index of refraction to within ~0.02, over this range of RH. Such parameterizations will be useful in radiation transfer models and climate models.« less

Electrical circuit modeling and analysis of microwave acoustic interaction with biological tissues.

PubMed

Gao, Fei; Zheng, Qian; Zheng, Yuanjin

2014-05-01

Numerical study of microwave imaging and microwave-induced thermoacoustic imaging utilizes finite difference time domain (FDTD) analysis for simulation of microwave and acoustic interaction with biological tissues, which is time consuming due to complex grid-segmentation and numerous calculations, not straightforward due to no analytical solution and physical explanation, and incompatible with hardware development requiring circuit simulator such as SPICE. In this paper, instead of conventional FDTD numerical simulation, an equivalent electrical circuit model is proposed to model the microwave acoustic interaction with biological tissues for fast simulation and quantitative analysis in both one and two dimensions (2D). The equivalent circuit of ideal point-like tissue for microwave-acoustic interaction is proposed including transmission line, voltage-controlled current source, envelop detector, and resistor-inductor-capacitor (RLC) network, to model the microwave scattering, thermal expansion, and acoustic generation. Based on which, two-port network of the point-like tissue is built and characterized using pseudo S-parameters and transducer gain. Two dimensional circuit network including acoustic scatterer and acoustic channel is also constructed to model the 2D spatial information and acoustic scattering effect in heterogeneous medium. Both FDTD simulation, circuit simulation, and experimental measurement are performed to compare the results in terms of time domain, frequency domain, and pseudo S-parameters characterization. 2D circuit network simulation is also performed under different scenarios including different sizes of tumors and the effect of acoustic scatterer. The proposed circuit model of microwave acoustic interaction with biological tissue could give good agreement with FDTD simulated and experimental measured results. The pseudo S-parameters and characteristic gain could globally evaluate the performance of tumor detection. The 2D circuit network enables the potential to combine the quasi-numerical simulation and circuit simulation in a uniform simulator for codesign and simulation of a microwave acoustic imaging system, bridging bioeffect study and hardware development seamlessly.

Small angle neutron scattering study of the gemini nonionic surfactant in heavy water solutions

NASA Astrophysics Data System (ADS)

Rajewska, A.

2012-03-01

The nonionic gemini surfactant α α'-[2,4,7,9-tetramethyl-5-decyne-4,7diyl]bis[ω hydroxyl-polyoxyethylene] (S-10) was investigated in heavy water solutions only for concentrations: 2.3%, 2.5%,3%, 3.4%, 4% and 5% at temperature 25°C with small angle neutron scattering (SANS) method. All of surfactants solutions were prepared using D2O (99.9% deuterated, Prikladnaia Chimia, St. Petersburg, Russia) as a solvent. The nonionic gemini surfactant S-10 was obtained from Air Products & Chemicals, Inc., and used without further purification. All SANS measurements were performed on V-4 SANS spectrometer at BENSC, Berlin (Germany). Neutrons were used in wavelength range of 0.02 - 4 nm-1. For the measurements quartz cells of were used during experiment. Up to 14 such cells were placed in a holder. Results from experiment was calculated and evaluated with PCG 2.0 program from Graz University (Austria). In the investigated solutions two axis ellipsoidal micelles was observed.

Devices for monitoring content of microparticles and bacterium in injection solutions in pharmaceutical production

NASA Astrophysics Data System (ADS)

Bilyi, Olexander I.; Getman, Vasyl B.; Konyev, Fedir A.; Sapunkov, Olexander; Sapunkov, Pavlo G.

2001-06-01

The devices for monitoring of parameters of efficiency of water solutions filtration, which are based on the analysis of scattered light by microparticles are considered in this article. The efficiency of using of devices in pharmaceutics in technological processes of manufacturing medical injection solutions is shown. The examples of monitoring of contents of bacterial cultures Pseudomonas aeruginosa, Escherichia coli, and Micrococcus luteus in water solutions of glucose are indicated.

Nonreciprocal wave scattering on nonlinear string-coupled oscillators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lepri, Stefano, E-mail: stefano.lepri@isc.cnr.it; Istituto Nazionale di Fisica Nucleare, Sezione di Firenze, via G. Sansone 1, I-50019 Sesto Fiorentino; Pikovsky, Arkady

2014-12-01

We study scattering of a periodic wave in a string on two lumped oscillators attached to it. The equations can be represented as a driven (by the incident wave) dissipative (due to radiation losses) system of delay differential equations of neutral type. Nonlinearity of oscillators makes the scattering non-reciprocal: The same wave is transmitted differently in two directions. Periodic regimes of scattering are analyzed approximately, using amplitude equation approach. We show that this setup can act as a nonreciprocal modulator via Hopf bifurcations of the steady solutions. Numerical simulations of the full system reveal nontrivial regimes of quasiperiodic and chaoticmore » scattering. Moreover, a regime of a “chaotic diode,” where transmission is periodic in one direction and chaotic in the opposite one, is reported.« less

Delayed coherent quantum feedback from a scattering theory and a matrix product state perspective

NASA Astrophysics Data System (ADS)

Guimond, P.-O.; Pletyukhov, M.; Pichler, H.; Zoller, P.

2017-12-01

We study the scattering of photons propagating in a semi-infinite waveguide terminated by a mirror and interacting with a quantum emitter. This paradigm constitutes an example of coherent quantum feedback, where light emitted towards the mirror gets redirected back to the emitter. We derive an analytical solution for the scattering of two-photon states, which is based on an exact resummation of the perturbative expansion of the scattering matrix, in a regime where the time delay of the coherent feedback is comparable to the timescale of the quantum emitter’s dynamics. We compare the results with numerical simulations based on matrix product state techniques simulating the full dynamics of the system, and extend the study to the scattering of coherent states beyond the low-power limit.