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## Selected Abstracts## A Comparison of Tabular PDF Inversion Methods COMPUTER GRAPHICS FORUM, Issue 1 2009D. ClineI.3.0 [Computer Graphics]: General Abstract The most common form of tabular inversion used in computer graphics is to compute the cumulative distribution table of a probability distribution (PDF) and then search within it to transform points, using an,O(log n),binary search. Besides the standard inversion method, however, several other discrete inversion algorithms exist that can perform the same transformation inO(1) time per point. In this paper, we examine the performance of three of these alternate methods, two of which are new. [source] ## Probabilistic Approach for Nonlinear Modal Control of MDOF Structures Subjected to Multiple Excitations COMPUTER-AIDED CIVIL AND INFRASTRUCTURE ENGINEERING, Issue 1 2005Kyung-Won MinFor the modal control of the MDOF structure, a new eigenvalue assignment algorithm that modifies the dynamic characteristics of only the specific mode is proposed. For the probabilistic evaluation of the proposed nonlinear modal control, the joint probability density function (PDF) of the equivalent nonlinearly controlled single-degree-of-freedom (SDOF) system is obtained by the solution of the reduced Fokker,Planck equation for the equivalent nonlinear system. To overcome the difficulty in the application of the joint PDF to the MDOF structure controlled by the hybrid mass damper (HMD) system and subjected to multiple excitations, the equivalent damping ratio is proposed. The results of the analysis indicate that the proposed nonlinear modal control strategy is effective for the control of MDOF structures requiring a significantly smaller peak control force than the linear quadratic Gaussian (LQG) controller to produce a similar control performance level. [source] ## Local 3D real space atomic structure of the simple icosahedral Ho11Mg15Zn74 quasicrystal from PDF data CRYSTAL RESEARCH AND TECHNOLOGY, Issue 12 2003S. BrühneAbstract We present a new complementary strategy to quasicrystalline structure determination: The local atomic structure of simple icosahedral (si) Ho11Mg15Zn74 [a(6D) = 5.144(3)Å in a sphere of up to r = 17Å was refined using the atomic pair distribution function (PDF) from in-house X-ray powder diffraction data (MoK,1, Qmax = 13.5Å,1; R = 20.4%). The basic building block is a 105-atom Bergman-Cluster {Ho8Mg12Zn85}. Its center is occupied by a Zn atom , in contrast to a void in face centred icosahedral (fci) Ho9Mg26Zn65. The center is then surrounded by another 12 Zn atoms, forming an icosahedron (1st shell). The 2nd shell is made up of 8 Ho atoms arranged on the vertices of a cube which in turn is completed to a pentagon dodecahedron by 12 Mg atoms, the dodecahedron then being capped by 12 Zn atoms. The 3rd shell is a distorted soccer ball of 60 Zn atoms, reflecting the higher Zn content of the si phase compared to the fci phase. In our model, 7% of all atoms are situated in between the clusters. The model corresponds to a hypothetical 1/1-approximant of the icosahedral (i) phase. The local coordinations of the single atoms are of a much distorted Frank-Kasper type and call to mind those present in 0/1-Mg2Zn11. (© 2003 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] ## Pigment-dispersing factor in the locust abdominal ganglia may have roles as circulating neurohormone and central neuromodulator DEVELOPMENTAL NEUROBIOLOGY, Issue 1 2001Magnus G. S. PerssonAbstract Pigment-dispersing factor (PDF) is a neuropeptide that has been indicated as a likely output signal from the circadian clock neurons in the brain of Drosophila. In addition to these brain neurons, there are PDF-immunoreactive (PDFI) neurons in the abdominal ganglia of Drosophila and other insects; the function of these neurons is not known. We have analyzed PDFI neurons in the abdominal ganglia of the locust Locusta migratoria. These PDFI neurons can first be detected at about 45% embryonic development and have an adult appearance at about 80%. In each of the abdominal ganglia (A3,A7) there is one pair of lateral PDFI neurons and in each of the A5,A7 ganglia there is additionally a pair of median neurons. The lateral neurons supply varicose branches to neurohemal areas of the lateral heart nerves and perisympathetic organs, whereas the median cells form processes in the terminal abdominal ganglion and supply terminals on the hindgut. Because PDF does not influence hindgut contractility, it is possible that also these median neurons release PDF into the circulation. Release from one or both the PDFI neuron types was confirmed by measurements of PDF-immunoreactivity in hemolymph by enzyme immunoassay. PDF applied to the terminal abdominal ganglion triggers firing of action potentials in motoneurons with axons in the genital nerves of males and the 8th ventral nerve of females. Because this action is blocked in calcium-free saline, it is likely that PDF acts via interneurons. Thus, PDF seems to have a modulatory role in central neuronal circuits of the terminal abdominal ganglion that control muscles of genital organs. © 2001 John Wiley & Sons, Inc. J Neurobiol 48: 19,41, 2001 [source] ## Tangential-projection algorithm for manifold representation in unidentifiable model updating problems EARTHQUAKE ENGINEERING AND STRUCTURAL DYNAMICS, Issue 4 2002Lambros S. KatafygiotisAbstract The problem of updating a structural model and its associated uncertainties by utilizing structural response data is addressed. In an identifiable case, the posterior probability density function (PDF) of the uncertain model parameters for given measured data can be approximated by a weighted sum of Gaussian distributions centered at a number of discrete optimal values of the parameters at which some positive measure-of-fit function is minimized. The present paper focuses on the problem of model updating in the general unidentifiable case for which certain simplifying assumptions available for identifiable cases are not valid. In this case, the PDF is distributed in the neighbourhood of an extended and usually highly complex manifold of the parameter space that cannot be calculated explicitly. The computational difficulties associated with calculating the highly complex posterior PDF are discussed and a new adaptive algorithm, referred to as the tangential-projection (TP) algorithm, allowing for an efficient approximate representation of the above manifold and the posterior PDF is presented. Using this approximation, expressions for calculating the uncertain predictive response are established. A numerical example involving noisy data is presented to demonstrate the proposed method. Copyright © 2002 John Wiley & Sons, Ltd. [source] ## H2xMnxSn3-xS6 (x,=,0.11,0.25): A Novel Reusable Sorbent for Highly Specific Mercury Capture Under Extreme pH Conditions ADVANCED FUNCTIONAL MATERIALS, Issue 7 2009Manolis J. ManosAbstract The H2xMnxSn3-xS6 (x,=,0.11,0.25) is a new solid acid with a layered hydrogen metal sulfide (LHMS). It derives from K2xMnxSn3,xS6 (x,=,0.5,0.95) (KMS-1) upon treating it with highly acidic solutions. We demonstrate that LHMS-1 has enormous affinity for the very soft metal ions such as Hg2+ and Ag+ which occurs via a rapid ion exchange process. The tremendous affinity of LHMS-1 for Hg2+ is reflected in very high distribution coefficient KdHg values (>106,mL g,1). The large affinity and selectivity of LHMS-1 for Hg2+ persists in a very wide pH range (from less than zero to nine) and even in the presence of highly concentrated HCl and HNO3 acids. LHMS-1 is significantly more selective for Hg2+ and Ag+ than for the less soft cations Pb2+ and Cd2+. The Hg2+ ions are immobilized in octahedral sites between the sulfide layers of the materials via Hg,S bonds as suggested by pair distribution function (PDF) analysis. LHMS-1 could decrease trace concentrations of Hg2+ (e.g. <100,ppb) to well below the acceptable limits for the drinking water in less than two min. Hg-laden LHMS-1 shows a remarkable hydrothermal stability and resistance in 6,M HCl solutions. LHMS-1 could be regenerated by treating Hg-loaded samples with 12,M HCl and re-used without loss of its initial exchange capacity. [source] ## A simplified model of gas,liquid two-phase flow pattern transition HEAT TRANSFER - ASIAN RESEARCH (FORMERLY HEAT TRANSFER-JAPANESE RESEARCH), Issue 7 2004Koji ItoAbstract An experiment of upward gas,liquid two-phase flow was conducted in an air,water isothermal system under atmospheric pressure. The differential pressure was measured at the fully developed section by using a variable reluctance type transducer to classify the flow patterns and their transitions. The flow behavior was observed with a high-speed video camera. The probability density function (PDF) of the differential pressure signal was employed to identify the flow pattern. A simplified one-dimensional flow model was proposed to clarify dominant factors affecting the formation and transitions of flow patterns. The model dealt with the gas-component advection based on the spatiotemporal void fraction behaviors by considering the gas compressibility, the wake, and the liquid phase redistribution mechanism. The simulation results of the model indicated four kinds of the void wave patterns (ripple-like, rectangular, distorted rectangular, and uniform wave patterns) depending on gas and liquid volumetric fluxes. These void wave patterns corresponded well to the experimentally observed flow patterns. The transitions among void wave patterns agree well with the Mishima,Ishii flow pattern map. The friction loss estimated by the present model coincides fairly well with Chisholm's empirical formula. © 2004 Wiley Periodicals, Inc. Heat Trans Asian Res, 33(7): 445,461, 2004; Published online in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/htj.20029 [source] ## Effect of packing density of hollow fibers on solute removal performances of dialyzers HEMODIALYSIS INTERNATIONAL, Issue 2009Akihiro C. YAMASHITAAbstract Solute removal performances of dialyzers are dependent not only on the solute permeabilities of the membrane but also on the module design. We have investigated how the packing density of hollow fiber (PDF) affects the solute removal performances. A series of 4 polyester polymer alloy membrane test dialyzers were assembled with varying PDFs of 29.6%, 35.3%, 44.1%, and 53.1%. Clearances (CL) were measured in vitro for creatinine (MW113), vitamin B12 (MW1355), and chymotrypsin (MW25300) with various QB=100 to 400 and QD=350 to 650 mL/min in the absence of net ultrafiltration. When QB was ,300 mL/min, no significant changes were found in creatinine CL with the increase of PDF up to 35.3%. A slightly greater increase was found in CL when QB=400 mL/min. Clearances for vitamin B12, however, increased with the increase of PDF in the range of 29.6% to 35.3%. The effects of PDF on CL were greater with larger QB. More importantly, an abrupt increase of CL was found when PDF was increased from 44.1% to 53.1%. According to a rigorous mathematical model, this may be caused by the internal filtration, which is reverse ultrafiltration occurring in a dialyzer at any given time. No significant increase was found in chymotrypsin CL when the PDF was ,35.3%, which suggested that CL for large molecules was strongly dependent on the solute permeability rather than the conditions of flow patterns. A very steep increase was also found in CL for chymotrypsin when the PDF was >44.1%, which was also considered to be due to the internal filtration. Packing density of hollow fiber can be optimized in terms of solute removal performances when the target solute and therapeutic conditions are specified. [source] ## Development of design flood hydrographs using probability density functions HYDROLOGICAL PROCESSES, Issue 4 2010Niranjan PramanikAbstract Probability density functions (PDFs) are used to fit the shape of hydrographs and have been popularly used for the development of synthetic unit hydrographs by many hydrologists. Nevertheless, modelling the shapes of continuous stream flow hydrographs, which are probabilistic in nature, is rare. In the present study, a novel approach was followed to model the shape of stream flow hydrographs using PDF and subsequently to develop design flood hydrographs for various return periods. Four continuous PDFs, namely, two parameter Beta, Weibull, Gamma and Lognormal, were employed to fit the shape of the hydrographs of 22 years at a site of Brahmani River in eastern India. The shapes of the observed and PDF fitted hydrographs were compared and root mean square errors, error of peak discharge (EQP) and error of time to peak (ETP) were computed. The best-fitted shape and scale parameters of all PDFs were subjected to frequency analysis and the quartiles corresponding to 20-, 50-, 100- and 200-year were estimated. The estimated parameters of each return period were used to develop the flood hydrographs for 20-, 50-, 100- and 200-year return periods. The peak discharges of the developed design flood hydrographs were compared with the design discharges estimated from the frequency analysis of 22 years of annual peak discharges at that site. Lognormal-produced peak discharge was very close to the estimated design discharge in case of 20-year flood hydrograph. On the other hand, peak discharge obtained using the Weibull PDF had close agreement with the estimated design discharge obtained from frequency analysis in case of 50-, 100- and 200-year return periods. The ranking of the PDFs based on estimation of peak of design flood hydrograph for 50-, 100- and 200-year return periods was found to have the following order: Weibull > Beta > Lognormal > Gamma. Copyright © 2009 John Wiley & Sons, Ltd. [source] ## Filter-based fault detection and diagnosis using output PDFs for stochastic systems with time delays INTERNATIONAL JOURNAL OF ADAPTIVE CONTROL AND SIGNAL PROCESSING, Issue 4 2006Y. M. ZhangAbstract In this paper, a fault detection and diagnosis (FDD) scheme is studied for general stochastic dynamic systems subjected to state time delays. Different from the formulation of classical FDD problems, it is supposed that the measured information for the FDD is the probability density function (PDF) of the system output rather than its actual value. A B-spline expansion technique is applied so that the output PDF can be formulated in terms of the dynamic weights of the B-spline expansion, by which a time delay model can be established between the input and the weights with non-linearities and modelling errors. As a result, the concerned FDD problem can be transformed into a classic FDD problem subject to an uncertain non-linear system with time delays. Feasible criteria to detect the system fault are obtained and a fault diagnosis method is further presented to estimate the fault. Simple simulations are given to demonstrate the efficiency of the proposed approach. Copyright © 2006 John Wiley & Sons, Ltd. [source] ## Consensus between GCM climate change projections with empirical downscaling: precipitation downscaling over South Africa INTERNATIONAL JOURNAL OF CLIMATOLOGY, Issue 10 2006B. C. HewitsonAbstract This paper discusses issues that surround the development of empirical downscaling techniques as context for presenting a new approach based on self-organizing maps (SOMs). The technique is applied to the downscaling of daily precipitation over South Africa. SOMs are used to characterize the state of the atmosphere on a localized domain surrounding each target location on the basis of NCEP 6-hourly reanalysis data from 1979 to 2002, and using surface and 700-hPa u and v wind vectors, specific and relative humidities, and surface temperature. Each unique atmospheric state is associated with an observed precipitation probability density function (PDF). Future climate states are derived from three global climate models (GCMs): HadAM3, ECHAM4.5, CSIRO Mk2. In each case, the GCM data are mapped to the NCEP SOMs for each target location and a precipitation value is drawn at random from the associated precipitation PDF. The downscaling approach combines the advantages of a direct transfer function and a stochastic weather generator, and provides an indication of the strength of the regional versus stochastic forcing, as well as a measure of stationarity in the atmosphere,precipitation relationship. The methodology is applied to South Africa. The downscaling reveals a similarity in the projected climate change between the models. Each GCM projects similar changes in atmospheric state and they converge on a downscaled solution that points to increased summer rainfall in the interior and the eastern part of the country, and a decrease in winter rainfall in the Western Cape. The actual GCM precipitation projections from the three models show large areas of intermodel disagreement, suggesting that the model differences may be due to their precipitation parameterization schemes, rather than to basic disagreements in their projections of the changing atmospheric state over South Africa. Copyright © 2006 Royal Meteorological Society. [source] ## Generalized Diffusion Tensor Imaging (GDTI): A Method for Characterizing and Imaging Diffusion Anisotropy Caused by Non-Gaussian Diffusion ISRAEL JOURNAL OF CHEMISTRY, Issue 1-2 2003Chunlei LiuFor non-Gaussian distributed random displacement, which is common in restricted diffusion, a second-order diffusion tensor is incapable of fully characterizing the diffusion process. The insufficiency of a second-order tensor is evident in the limited capability of diffusion tensor imaging (DTI) in resolving multiple fiber orientations within one voxel of human white matter. A generalized diffusion tensor imaging (GDTI) method was recently proposed to solve this problem by generalizing Fick's law to a higher-order partial differential equation (PDE). The relationship between the higher-order tensor coefficients of the PDE and the higher-order cumulants of the random displacement can be derived. The statistical property of the diffusion process was fully characterized via the higher-order tensor coefficients by reconstructing the probability density function (PDF) of the molecular random displacement. Those higher-order tensor coefficients can be measured using conventional diffusion-weighted imaging or spectroscopy techniques. Simulations demonstrated that this method was capable of quantitatively characterizing non-Gaussian diffusion and accurately resolving multiple fiber orientations. It can be shown that this method is consistent with the q-space approach. The second-order approximation of GDTI was shown to be DTI. [source] ## Pair distribution functions calculated from interatomic potential models using the General Utility Lattice Program JOURNAL OF APPLIED CRYSTALLOGRAPHY, Issue 3 2007Elizabeth R. CopeA new module has been developed for the widely used General Utility Lattice Program (GULP). The phonon-based theory developed by Chung & Thorpe [Phys. Rev. B (1999), 59, 4807,4812] to calculate pair distribution function (PDF) peak widths has been utilized to give a selection of commonly used correlation functions. A numerical library of neutron scattering information is now available within GULP, and is used to produce results that can be compared with neutron scattering experimental data. The influence of different phonon modes on the PDF can be assessed by excluding modes above or below a cut-off frequency. Results are presented for sample crystallographic systems, MgO, SrTiO3 and ,-cristobalite, as well as CaxSr1,xTiO3 at x = 0.5, which makes use of the capability to handle partial occupancies to compare different Ca/Sr ordering arrangements with a disordered model in which every Ca/Sr site has 50% occupancy of both species. [source] ## Temporal Patterns of Atrial Arrhythmia Recurrences in Patients with Implantable Defibrillators: Implications for Assessing Antiarrhythmic Therapies JOURNAL OF CARDIOVASCULAR ELECTROPHYSIOLOGY, Issue 4 2002LINA A. SHEHADEH M.S.Temporal Patterns of Atrial Arrhythmias.Introduction: The statistical measures commonly used to assess therapies for recurrent atrial arrhythmias (such as time to first recurrence) often assume a uniformly random pattern of arrhythmic events over time. However, the true temporal pattern of atrial arrhythmia recurrences is unknown. The aim of this study was to use linear and nonlinear analyses to characterize the temporal pattern of atrial arrhythmia recurrences in patients with implantable cardioverter defibrillators. Methods and Results: The time and date of atrial tachyarrhythmias recorded in 65 patients with combined atrial and ventricular defibrillators were used to construct a probability density function (PDF) and a model of a Poisson distribution of arrhythmic events for each patient. Average patient age was 66 ± 10 years and follow-up was 7.8 ± 4.8 months. A total of 10,759 episodes of atrial tachyarrhythmias were analyzed (range 43 to 618 episodes per patient). The PDF fit a power law distribution for all 65 patients, with an average r2= 0.89 ± 0.08. The PDF distribution differed significantly from the model Poisson distribution in 47 of 65 patients (P = 0.0002). Differences from the Poisson distribution were noted for patients both taking (30/43 patients; P < 0.015) and not taking (17/22 patients; P < 0.017) antiarrhythmic drugs. Median time between atrial arrhythmia detections for all 65 patients was 10.8 minutes. Conclusion: In implantable cardioverter defibrillator patients, the temporal pattern of frequent recurrences of atrial tachyarrhythmias usually is characterized by a power law distribution. The unique statistical properties of this type of distribution should be considered in designing outcome measures for treatment of atrial tachyarrhythmias. [source] ## Extraction and Application of Dietary Fiber and Cellulose from Pineapple Cores JOURNAL OF FOOD SCIENCE, Issue 4 2002T. PrakongpanPineapple core dietary fiber (PDF) was obtained by alcoholic extraction; pineapple core cellulose (PC) was a product of alkali extraction with a bleaching process. Total dietary fiber content of PDF and PC was 99.8% and 95.2% (dry basis), respectively, and their water activity was 0.25. PC contained 91.2% cellulose with a pH value of 4.0, while that of PDF was 6.2. The fiber product with large particle size gave higher values than the product with smaller particles for pH, water and oil retention capacity, settling volume and emulsifying activity. Both had rough, pitted surfaces and presented showed good functions in cake-type doughnuts, golden layer cake and beef burgers. [source] ## Modeling of turbulent precipitation: A transported population balance-PDF method AICHE JOURNAL, Issue 4 2010Giovanni di VeroliAbstract Turbulent precipitation is a complex problem, whose mathematical description of precipitation requires a coupling of fluid dynamics with the population balance equation (PBE). In the case of turbulent flow, this coupling results in unclosed equations due to the nonlinear nature of precipitation kinetics. In this article, we present a methodology for modeling turbulent precipitation using the concept of the transported probability density function (PDF) in conjunction with a discretized PBE, simulated via a Lagrangian stochastic method. The transported PBE-PDF approach resolves the closure problem of turbulent precipitation for arbitrarily complex precipitation kinetics, while retrieving the full particle size distribution (PSD). The method is applied to the precipitation of BaSO4 in a turbulent pipe flow and comparisons are made with the experimental results of Baldyga and Orciuch (Chem Eng Sci. 2001;56:2435-2444) showing excellent agreement, while insight is drawn into the mechanisms that determine the evolution of the product PSD. © 2009 American Institute of Chemical Engineers AIChE J, 2010 [source] ## PDF simulations of ethylene decomposition in tubular LDPE reactors AICHE JOURNAL, Issue 2 2005Nitin H. KolhapureAbstract The present study deals with turbulent reacting flow simulation inside low-density polyethylene (LDPE) tubular reactors, based on a detailed computational fluid dynamics (CFD) technique,transported probability density function (PDF) methods. The ability of the PDF methods to provide an exact representation of chemical source terms is ideally suited for coupling complex LDPE chemistry with small-scale fluid dynamic fluctuations in turbulent flow. LDPE chemistry with a total of 16 scalars provides an ideal test case for illustrating the applicability of an efficient chemistry algorithm based on in-situ adaptive tabulation. A particle-based Monte Carlo algorithm is used to solve the joint-composition PDF equation, whereas a finite-volume code is used to obtain hydrodynamic fields from the standard k,, turbulence model. The influence of feed temperature, initiator concentration, and degree of premixing is investigated to gain detailed knowledge of micromixing effects on steady-state reactor performance. The computational approach provides a low-cost alternative to experimental and pilot-plant tests for exploring a variety of design options when making important design and operational decisions, or for investigating unstable reactor operating conditions. The ability of a simplified, but otherwise equivalent multi-environment-presumed PDF model to predict turbulence,chemistry interactions close to physical reality is validated using the detailed transported PDF simulations. The transported PDF method is shown to be an excellent tool for obtaining fundamental information on turbulent reacting flows, as well as for deriving simplified models for faster and easier interpretation of these flows when developing safe and efficient chemical processes. © 2005 American Institute of Chemical Engineers AIChE J, 51: 585,606, 2005 [source] ## cDNA cloning of the housefly pigment-dispersing factor (PDF) precursor protein and its peptide comparison among the insect circadian neuropeptides JOURNAL OF PEPTIDE SCIENCE, Issue 2 2004Ayami MatsushimaAbstract Pigment-dispersing factor (PDF), an 18-amino acid neuropeptide, is a principal circadian neurotransmitter for the circadian rhythms of the locomotor activity in flies. Recently, two completely different types of PDF precursor were clarified; that of the cricket Gryllus bimaculatus and that of the last-summer cicada Meimuna opalifera. The G. bimaculatus PDF precursor is extraordinarily short and comprises a nuclear localization signal (NLS), while the M. opalifera PDF precursor is of ordinary length, comparable to that seen for the precursors of crustacean ,-PDH homologues. Although their PDF peptide regions were exactly the same, the regions containing a signal peptide combined with a PDF-associated peptide (PAP) were remarkably different from each other. Such a grouping suggested a fundamental role for the PAP peptide in the circadian clock, perhaps associated with PDF function. In the present study, the cDNA cloning of PDF from the adult brains of the housefly Musca domestica was carried out and it was found that an isolated clone (527 bp) encodes a PDF precursor protein of ordinary length. The PDF peptide shows a high sequence identity (78%,94%) and similarity (89%,100%) to insect PDFs and also to the crustacean ,-PDH peptides. In particular, there is only a single amino acid difference between the PDFs of Musca and Drosophila; at position 14 Ser for Musca PDF and Asn for Drosophila PDF. A characteristic Ser10 in Drosophila was retained in Musca, indicating the presence of a structural profile unique to these PDFs. The results of sequence analyses suggest that Musca and Drosophila PDFs are to be considered members of a single group that has evolved structurally. When the primary structure of the PAP regions was compared, the Musca PDF precursor also belonged to the same group as that to which the Drosophila PDF precursor belongs. Copyright © 2003 European Peptide Society and John Wiley & Sons, Ltd. [source] ## Characterization of amorphous API:Polymer mixtures using X-ray powder diffraction JOURNAL OF PHARMACEUTICAL SCIENCES, Issue 11 2008Ann NewmanAbstract Recognizing limitations with the standard method of determining whether an amorphous API,polymer mixture is miscible based on the number of glass transition temperatures (Tg) using differential scanning calorimetry (DSC) measurements, we have developed an X-ray powder diffraction (XRPD) method coupled with computation of pair distribution functions (PDF), to more fully assess miscibility in such systems. The mixtures chosen were: dextran,poly(vinylpyrrolidone) (PVP) and trehalose,dextran, both prepared by lyophilization; and indomethacin,PVP, prepared by evaporation from organic solvent. Immiscibility is detected when the PDF profiles of each individual component taken in proportion to their compositions in the mixture agree with the PDF of the mixture, indicating phase separation into independent amorphous phases. A lack of agreement of the PDF profiles indicates that the mixture with a unique PDF is miscible. In agreement with DSC measurements that detected two independent Tg values for the dextran,PVP mixture, the PDF profiles of the mixture matched very well indicating a phase separated system. From the PDF analysis, indomethacin,PVP was shown to be completely miscible in agreement with the single Tg value measured for the mixture. In the case of the trehalose,dextran mixture, where only one Tg value was detected, however, PDF analysis clearly revealed phase separation. Since DSC can not detect two Tg values when phase separation produces amorphous domains with sizes less than approximately 30 nm, it is concluded that the trehalose,dextran system is a phase separated mixture with a structure equivalent to a solid nanosuspension having nanosize domains. Such systems would be expected to have properties intermediate to those observed for miscible and macroscopically phase separated amorphous dispersions. However, since phase separation has occurred, the solid nanosuspensions would be expected to exhibit a greater tendency for physical instability under a given stress, that is, crystallization, than would a miscible system. © 2008 Wiley-Liss, Inc. and the American Pharmacists Association J Pharm Sci 97:4840,4856, 2008 [source] ## The Effects of Temperature on the Local Structure of Metakaolin-Based Geopolymer Binder: A Neutron Pair Distribution Function Investigation JOURNAL OF THE AMERICAN CERAMIC SOCIETY, Issue 10 2010Claire E. WhiteNeutron pair distribution function (PDF) analysis is utilized to advance the understanding of the local atomic structural characteristics of geopolymer binders derived from metakaolin, specifically the nature and amount of the water associated with these materials. Samples were heated in air to temperatures up to 1200°C, then analyzed ex situ by high momentum transfer neutron total scattering and PDF analysis. Water contained in large pores, along with water associated with hydration of potassium cations in the geopolymer framework structure, comprise the majority of water in this material. The remaining water is situated in small pores and as terminal hydroxyl groups attached to the Si,Al framework. The Si,Al framework structure undergoes only subtle rearrangement upon heating, but maintains a tetrahedral aluminosilicate framework environment. After crystallization with heating beyond 1000°C, the geopolymer gel is predominantly converted to leucite, with small amounts of amorphous mullite and glassy silica, which have never before been observed in heated geopolymers. This demonstrates the value of neutron PDF analysis to probe the local structure of these important geopolymeric materials. [source] ## Development of PDF-immunoreactive cells, possible clock neurons, in the housefly Musca domestica MICROSCOPY RESEARCH AND TECHNIQUE, Issue 2 2003Elzbieta PyzaAbstract Even though the housefly Musca domestica shows clear circadian rhythms in its behavioural and physiological processes, a circadian pacemaker system controlling these rhythms has not yet been described morphologically in this species. In M. domestica, neurons immunoreactive to pigment-dispersing factor (PDF), a neurotransmitter/neuromodulator of circadian information arising from a circadian clock and transmitted to target cells, are similar in their number and distribution to the PDF neurons of Drosophila melanogaster. In D. melanogaster these neurons co-localize PER protein and have been identified as clock neurons in that species. Here we report PDF-immunoreactive cells in the housefly's brain during postembryonic development in the larval and pupal stages, as well as in the adult fly soon after eclosion. In the housefly's brain, there are three groups of PDF-immunoreactive neurons: two groups with small (sPDFMe) and large (lPDFMe) cell bodies in the proximal medulla of the optic lobe; and one group in the dorsal protocerebrum (PDFD). Three out of four sPDFMe can be detected during the first hour of larval development, but the fourth sPDFMe is observed in the larva only from 48 hours after hatching, along with five lPDFMe neurons, seen first as two subgroups, and three out of four PDFD neurons. During postembryonic development these neurons show changes in their structure and immunoreactivity. New PDF neurons are observed during pupal development but these neurons mostly do not survive into adulthood. In the adult fly's brain, the PDF neurons have also been examined in double-labelled preparations made with a second antibody directed against the product of one of several clock genes: period (per), timeless (tim), or cryptochrome (cry). Among them, only immunoreactivity to CRY-like protein has been detected in the brain of M. domestica and has shown a daily rhythm in its concentration, as examined immunocytochemically. CRY was co-localized with PDF in the sPDFMe of the housefly's brain fixed during the day. The possibility that the sPDFMe neurons are the housefly's clock neurons is discussed. Microsc. Res. Tech. 62:103,113, 2003. © 2003 Wiley-Liss, Inc. [source] ## The star formation law in a multifractal ISM MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, Issue 3 2007Konstantinos TassisABSTRACT The surface density of the star formation rate in different galaxies, as well as in different parts of a single galaxy, scales non-linearly with the surface density of the total gas. This observationally established relation is known as the Kennicutt,Schmidt star formation law. The slope of the star formation law has been shown to change with the density of the gas against which the star formation rate is plotted. This dependence implies a non-linear scaling between the dense gas and the total gas surface densities within galaxies. Here, we explore a possible interpretation of this scaling as a property of the geometry of the interstellar medium (ISM), and we find that it arises naturally if the topology of the ISM is multifractal. Under the additional assumption that, at very high densities, the star formation time-scale is roughly constant, the star formation law itself can also be recovered as a consequence of the multifractal geometry of the ISM. The slope of the scaling depends on the width of the global probability density function (PDF), and is between 1.5 and 1.6 for wide PDFs relevant to high-mass systems, while it is higher for narrower PDFs appropriate for lower mass dwarf galaxies, in agreement with observations. [source] ## Cosmological implications of the PSCz PDF and its moments MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY, Issue 2 2001Manolis PlionisWe compare the probability density function (PDF) and its low-order moments (variance and skewness) of the smoothed IRAS Point Source Catalogue Redshift Survey (PSCz) galaxy density field and of the corresponding simulated PSCz look-alikes, generated from N -body simulations of six different dark matter models: four structure-normalized with and , one COBE -normalized, and the old standard cold dark matter model. The galaxy distributions are smoothed with a Gaussian window at three different smoothing scales, , 10 and 15 h,1 Mpc. We find that the simulation PSCz look-alike PDFs are sensitive only to the normalization of the power spectrum, probably owing to the shape similarity of the simulated galaxy power spectrum on the relevant scales. We find that the only models that are consistent, at a high significance level, with the observed PSCz PDF are models with a relatively low power spectrum normalization . From the phenomenologically derived ,8,moments relation, fitted from the simulation data, we find that the PSCz moments suggest . [source] ## The statistics of refractive error maps: managing wavefront aberration analysis without Zernike polynomials OPHTHALMIC AND PHYSIOLOGICAL OPTICS, Issue 3 2009D. Robert IskanderAbstract The refractive error of a human eye varies across the pupil and therefore may be treated as a random variable. The probability distribution of this random variable provides a means for assessing the main refractive properties of the eye without the necessity of traditional functional representation of wavefront aberrations. To demonstrate this approach, the statistical properties of refractive error maps are investigated. Closed-form expressions are derived for the probability density function (PDF) and its statistical moments for the general case of rotationally-symmetric aberrations. A closed-form expression for a PDF for a general non-rotationally symmetric wavefront aberration is difficult to derive. However, for specific cases, such as astigmatism, a closed-form expression of the PDF can be obtained. Further, interpretation of the distribution of the refractive error map as well as its moments is provided for a range of wavefront aberrations measured in real eyes. These are evaluated using a kernel density and sample moments estimators. It is concluded that the refractive error domain allows non-functional analysis of wavefront aberrations based on simple statistics in the form of its sample moments. Clinicians may find this approach to wavefront analysis easier to interpret due to the clinical familiarity and intuitive appeal of refractive error maps. [source] ## Relationship between the atomic pair distribution function and small-angle scattering: implications for modeling of nanoparticles ACTA CRYSTALLOGRAPHICA SECTION A, Issue 3 2009Christopher L. FarrowThe relationship between the equations used in the atomic pair distribution function (PDF) method and those commonly used in small-angle-scattering (SAS) analyses is explicitly shown. The origin of the sloping baseline, ,4,r,0, in PDFs of bulk materials is identified as originating from the SAS intensity that is neglected in PDF measurements. The nonlinear baseline in nanoparticles has the same origin, and contains information about the shape and size of the nanoparticles. [source] ## Simulation of fine particle formation by precipitation using computational fluid dynamics THE CANADIAN JOURNAL OF CHEMICAL ENGINEERING, Issue 5 2000Damien PitonAbstract The 4-environment generalized micromixing (4-EGM) model is applied to describe turbulent mixing and precipitation of barium sulfate in a tubular reactor. The model is implemented in the commercial computational fluid dynamics (CFD) software Fluent. The CFD code is first used to solve for the hydrodynamic fields (velocity, turbulence kinetic energy, turbulent energy dissipation). The species concentrations and moments of the crystal size distribution (CSD) are then computed using user-defined transport equations. CFD simulations are performed for the tubular reactor used in an earlier experimental study of barium sulfate precipitation. The 4-EGM CFD results are shown to compare favourably to CFD results found using the presumed beta PDF model. The latter has previously been shown to yield good agreement with experimental data for the mean crystal size at the outlet of the tubular reactor. On a appliqué un modéle de micromélange généralisé à 4 environnements (4-EGM) afin de décrire le mélange turbulent et la précipitation du sulfate de baryum dans un réacteur tubulaire. Ce modéle a été implanté dans le logiciel de CFD commercial Fluent. Le programme de CFD est d'abord utilisé pour calculer les champs hydrodynamiques (vitesse, énergie cinétique de turbulence, dissipation d'énergie turbulente). Les concentrations d'espéces et les moments de la distribution de taille des cristaux (CSD) sont ensuite calculés par ordinateur à l'aide des équations de transport définies par l'usager. Des simulations de CFD sont réalisées pour le réacteur tubulaire utilisé dans une étude expérimentale antérieure de la précipitation du sulfate de baryum. On montre que les prédictions du 4-EGM se comparent favorablement à celles du modéle béta PDF. II a été montré antérieurement que ce dernier présentait un bon accord avec les donnés expérimentales pour la taille moyenne des cristaux à la sortie du récteur tubulaire. [source] ## Representation of 3D heterogeneous cloud fields using copulas: Theory for water clouds THE QUARTERLY JOURNAL OF THE ROYAL METEOROLOGICAL SOCIETY, Issue 636 2008Peter M. NorrisAbstract It is shown that a general representation of GCM column cloud fraction within probability density function (PDF)-based statistical cloud parametrizations can be obtained using statistical functions called copulas that encapsulate the dependence structure of rank statistics in a multivariate system. Using this theory, a new Gaussian copula formulation of GCM cloud overlap is obtained. The copula approach provides complete flexibility in the choice of the marginal PDF of each layer's moisture and temperature, and, compared with earlier approaches, including the ,generalized overlap' approach, allows a far more general specification of the correlation between any pair of layers. It also allows easy addition of new layer variables, such as temperature, into the modelled grid-column statistics. As a preliminary test of this formulation, its ability to statistically describe a cloud-resolving model simulation of a complex multi-layer case-study, including both large-scale and convective clouds, is examined. The Gaussian copula cloud fraction is found to be significantly less biased than other common cloud overlap methods for this case-study. Estimates of several nonlinear quantities are also improved with the Gaussian copula model: the variance of condensed water path and the fluxes of solar and thermal radiation at atmospheric column boundaries. This first paper, though limited to the simpler case of water clouds, addresses subgrid-scale variability in both moisture and temperature. This work is envisaged as a first step towards developing a generalized statistical framework for GCM cloud parametrization and for assimilating statistical information from high-resolution satellite observations into GCMs and global analyses. Copyright © 2008 Royal Meteorological Society [source] ## Electron diffraction, X-ray powder diffraction and pair-distribution-function analyses to determine the crystal structures of Pigment Yellow 213, C23H21N5O9 ACTA CRYSTALLOGRAPHICA SECTION B, Issue 2 2009Martin U. SchmidtThe crystal structure of the nanocrystalline , phase of Pigment Yellow 213 (P.Y. 213) was solved by a combination of single-crystal electron diffraction and X-ray powder diffraction, despite the poor crystallinity of the material. The molecules form an efficient dense packing, which explains the observed insolubility and weather fastness of the pigment. The pair-distribution function (PDF) of the , phase is consistent with the determined crystal structure. The , phase of P.Y. 213 shows even lower crystal quality, so extracting any structural information directly from the diffraction data is not possible. PDF analysis indicates the , phase to have a columnar structure with a similar local structure as the , phase and a domain size in column direction of approximately 4,nm. [source] ## The Powder Diffraction File: present and future ACTA CRYSTALLOGRAPHICA SECTION B, Issue 3-1 2002John FaberThe International Centre for Diffraction Data (ICDD) produces the Powder Diffraction File (PDF). This paper discusses some of the seminal events in the history of producing this primary reference for powder diffraction. Recent key events that center on collaborative initiatives have led to an enormous jump in entry population for the PDF. Collective efforts to editorialize the PDF are ongoing and provide enormous added value to the file. Recently, the ICDD has created a new series of the PDF, designated PDF-4. These relational database structures are being used to house the PDF of the future. The design and benefits of the PDF-4 are described. [source] ## New Powder Diffraction File (PDF-4) in relational database format: advantages and data-mining capabilities ACTA CRYSTALLOGRAPHICA SECTION B, Issue 3-1 2002Soorya N. KabekkoduThe International Centre for Diffraction Data (ICDD) is responding to the changing needs in powder diffraction and materials analysis by developing the Powder Diffraction File (PDF) in a very flexible relational database (RDB) format. The PDF now contains 136,895 powder diffraction patterns. In this paper, an attempt is made to give an overview of the PDF-4, search/match methods and the advantages of having the PDF-4 in RDB format. Some case studies have been carried out to search for crystallization trends, properties, frequencies of space groups and prototype structures. These studies give a good understanding of the basic structural aspects of classes of compounds present in the database. The present paper also reports data-mining techniques and demonstrates the power of a relational database over the traditional (flat-file) database structures. [source] |